490	951	959	0:SP3_SP-NON_SP3	C	H	S[5]	4:1:1:1:	4:	3:2:4:1:	S[5]-4:H-1:H-1:H-1:	C-4:	C[5,6a]-3:N[5]-2:C-4:O-1:	C(S[5]C[5,6a]N[5]O)(H)3	H(CS[5]HH)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CH3)(O)	C(S[5]C[5,6a]N[5]O)(H)3	H(CS[5]HH)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CH3)(O){1|H<1>,1|O<1>,2|C<3>}	109.4785	0.015	2	109.4785	0.000	2	109.4785	0.000	2	109.4785	0.000	2	108.5888	1.243	4	108.5888	1.243	4
490	951	959	0:SP3_SP-NON_SP3	C	H	S[5]	4:4:1:1:	4:	4:2:4:1:	S[5]-4:C-4:H-1:H-1:	C-4:	C[5]-4:N[5]-2:C-4:O-1:	C(S[5]C[5]N[5]O)(CCHH)(H)2	H(CS[5]CH)	S[5](C[5]C[5]HH)(N[5]C[5])(CCHH)(O)	C(S[5]C[5]N[5]O)(CCHH)(H)2	H(CS[5]CH)	S[5](C[5]C[5]HH)(N[5]C[5])(CCHH)(O){1|C<4>,1|H<1>,1|O<1>}	107.6990	0.750	2	107.6990	0.562	2	107.6990	0.562	2	107.6990	0.562	2	108.5888	1.243	4	108.5888	1.243	4
490	951	961	0:SP3_SP-NON_SP3	C	H	S[6]	4:1:1:1:	4:	3:2:4:1:	S[6]-4:H-1:H-1:H-1:	C-4:	C[6,6a]-3:N[6]-2:C-4:O-1:	C(S[6]C[6,6a]N[6]O)(H)3	H(CS[6]HH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O)	C(S[6]C[6,6a]N[6]O)(H)3	H(CS[6]HH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CH3)(O){1|H<1>,4|C<3>}	108.7063	1.720	6	108.7063	2.959	6	108.7063	2.959	6	108.7063	2.959	6	109.0605	1.857	10	109.0605	1.857	10
490	951	961	0:SP3_SP-NON_SP3	C	H	S[6]	4:1:1:1:	4:	4:2:4:1:	S[6]-4:H-1:H-1:H-1:	C-4:	C[6]-4:N[6]-2:C-4:O-1:	C(S[6]C[6]N[6]O)(H)3	H(CS[6]HH)	S[6](C[6]C[6]HH)(N[6]C[6])(CH3)(O)	C(S[6]C[6]N[6]O)(H)3	H(CS[6]HH)	S[6](C[6]C[6]HH)(N[6]C[6])(CH3)(O){1|C<4>,1|O<1>,2|H<1>}	109.4940	0.010	2	109.4940	0.000	2	109.4940	0.000	2	109.4940	0.000	2	109.0605	1.857	10	109.0605	1.857	10
490	951	961	0:SP3_SP-NON_SP3	C	H	S[6]	4:4:1:1:	4:	3:2:4:1:	S[6]-4:C-4:H-1:H-1:	C-4:	C[6,6a]-3:N[6]-2:C-4:O-1:	C(S[6]C[6,6a]N[6]O)(CH3)(H)2	H(CS[6]CH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O)	C(S[6]C[6,6a]N[6]O)(CH3)(H)2	H(CS[6]CH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O){1|H<1>,4|C<3>}	109.6895	0.016	2	109.6895	0.000	2	109.6895	0.000	2	109.6895	0.000	2	109.0605	1.857	10	109.0605	1.857	10
490	951	963	0:SP3_SP-NON_SP2	C	H	Se[3]	3:3:1:1:	4:	4:4:4:	Se[3]-3:C[6a]-3:H-1:H-1:	C-4:	C[3,6,6]-4:C[3,6,6]-4:C-4:	C(Se[3]C[3,6,6]2)(C[6a]C[6a]2)(H)2	H(CC[6a]Se[3]H)	Se[3](C[3,6,6]C[3,6,6]C[3x6]2)2(CC[6a]HH)	C(Se[3]C[3,6,6]2)(C[6a]C[6a]2)(H)2	H(CC[6a]Se[3]H)	Se[3](C[3,6,6]C[3,6,6]C[3x6]2)2(CC[6a]HH){4|H<1>,8|C<4>}	110.2730	0.047	2	110.2730	0.002	2	110.2730	0.002	2	110.2730	0.002	2	110.2730	0.002	2	110.2730	0.002	2
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:1:1:1:	4:	3:3:4:	Ga-3:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:	C(GaC[6a]2)(H)3	H(CGaHH)	Ga(C[6a]C[6a]2)2(CH3)	C(GaC[6a]2)(H)3	H(CGaHH)	Ga(C[6a]C[6a]2)2(CH3)	111.1738	1.194	9	111.1738	1.427	9	111.1738	1.427	9	111.1738	1.427	9	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:1:1:1:	4:	3:4:4:	Ga-3:H-1:H-1:H-1:	C-4:	B[5a]-3:C-4:C-4:	C(GaB[5a]C)(H)3	H(CGaHH)	Ga(B[5a]N[5a]2)(CH3)2	C(GaB[5a]C)(H)3	H(CGaHH)	Ga(B[5a]N[5a]2)(CH3)2	109.4780	0.040	6	109.4780	0.002	6	109.4780	0.002	6	109.4774	0.002	51	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:1:1:1:	4:	3:4:4:	Ga-3:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:	C(GaC[6a]C)(H)3	H(CGaHH)	Ga(C[6a]C[6a]2)(CH3)2	C(GaC[6a]C)(H)3	H(CGaHH)	Ga(C[6a]C[6a]2)(CH3)2	109.4774	0.040	42	109.4774	0.002	42	109.4774	0.002	42	109.4774	0.002	51	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:1:1:1:	4:	3:4:4:	Ga-3:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6]-4:C-4:	C(GaC[6a]C[6])(H)3	H(CGaHH)	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C(GaC[6a]C[6])(H)3	H(CGaHH)	Ga(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	109.4757	0.025	3	109.4757	0.001	3	109.4757	0.001	3	109.4774	0.002	51	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:1:1:1:	4:	4:2:2:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:O-2:O-2:	C(GaOO)(H)3	H(CGaHH)	Ga(CH3)(OC)2	C(GaOO)(H)3	H(CGaHH)	Ga(CH3)(OC)2	109.4503	0.018	3	109.4503	0.000	3	109.4503	0.000	3	109.4503	0.000	3	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:1:1:1:	4:	4:3:4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:C-3:C-4:	C(GaCC)(H)3	H(CGaHH)	Ga(CSi3)(CSiC)(CH3)	C(GaCC)(H)3	H(CGaHH)	Ga(CSi3)(CSiC)(CH3)	109.4545	0.030	6	109.4545	0.001	6	109.4545	0.001	6	109.4545	0.001	6	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:1:1:1:	4:	4:4:4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:	C(GaCC)(H)3	H(CGaHH)	Ga(CH3)3	C(GaCC)(H)3	H(CGaHH)	Ga(CH3)3	109.4772	0.045	17	109.4772	0.002	17	109.4756	0.002	21	109.4765	0.002	24	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:1:1:1:	4:	4:4:4:	Ga-3:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:	C(GaCC)(H)3	H(CGaHH)	Ga(CSiHH)(CH3)2	C(GaCC)(H)3	H(CGaHH)	Ga(CSiHH)(CH3)2	109.4690	0.018	4	109.4690	0.000	4	109.4756	0.002	21	109.4765	0.002	24	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:1:1:1:	4:	4:4:4:	Ga-3:H-1:H-1:H-1:	C-4:	C[5]-4:C[5]-4:C-4:	C(GaC[5]2)(H)3	H(CGaHH)	Ga(C[5]C[5]2C)2(CH3)	C(GaC[5]2)(H)3	H(CGaHH)	Ga(C[5]C[5]2C)2(CH3)	109.4823	0.025	3	109.4823	0.001	3	109.4823	0.001	3	109.4765	0.002	24	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:4:1:1:	4:	3:3:4:	Ga-3:C-4:H-1:H-1:	C-4:	C-3:C-3:C-4:	C(GaCC)(CH3)(H)2	H(CGaCH)	Ga(CC[6a]C)2(CCHH)	C(GaCC)(CH3)(H)2	H(CGaCH)	Ga(CC[6a]C)2(CCHH)	108.5383	0.164	6	108.5383	0.027	6	108.5383	0.027	6	108.6195	0.042	8	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:4:1:1:	4:	3:3:4:	Ga-3:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:	C(GaC[6a]2)(CH3)(H)2	H(CGaCH)	Ga(C[6a]C[6a]2)2(CCHH)	C(GaC[6a]2)(CH3)(H)2	H(CGaCH)	Ga(C[6a]C[6a]2)2(CCHH)	108.8630	0.040	2	108.8630	0.002	2	108.8630	0.002	2	108.6195	0.042	8	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:4:1:1:	4:	4:4:2:	Ga-3:C-4:H-1:H-1:	C-4:	C-4:C-4:C-2:	C(GaCC)(CH3)(H)2	H(CGaCH)	Ga(CCHH)2(CC)	C(GaCC)(CH3)(H)2	H(CGaCH)	Ga(CCHH)2(CC)	108.2712	0.143	4	108.2712	0.021	4	108.2712	0.021	4	108.2712	0.021	4	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:4:1:1:	4:	4:4:4:	Ga-3:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:	C(GaCC)(CC3)(H)2	H(CGaCH)	Ga(CGaSiC)(CCHH)2	C(GaCC)(CC3)(H)2	H(CGaCH)	Ga(CGaSiC)(CCHH)2	107.1922	0.418	6	107.1922	0.174	6	107.1922	0.174	6	107.1922	0.174	6	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:4:3:1:	4:	3:2:4:	Ga-3:C-4:C-3:H-1:	C-4:	C[6a]-3:Ga-2:C-4:	C(GaC[6a]Ga)(CCHH)(CCH)(H)	H(CGaCC)	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	C(GaC[6a]Ga)(CCHH)(CCH)(H)	H(CGaCC)	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	3:4:4:1:	4:	4:4:3:	Ga-3:C-4:C-4:H-1:	C-4:	C-4:C-4:C-3:	C(GaCC)(CH3)2(H)	H(CGaCC)	Ga(CCCH)2(CSiC)	C(GaCC)(CH3)2(H)	H(CGaCC)	Ga(CCCH)2(CSiC)	105.7190	1.189	2	105.7190	1.415	2	105.7190	1.415	2	105.7190	1.415	2	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	4:3:1:1:	4:	3:3:4:	C-4:Ga-3:H-1:H-1:	C-4:	C-3:C-3:C-4:	C(CCHH)(GaCC)(H)2	H(CGaCH)	Ga(CC[6a]C)2(CCHH)	C(CCHH)(GaCC)(H)2	H(CGaCH)	Ga(CC[6a]C)2(CCHH)	108.3690	0.016	2	108.3690	0.000	2	108.3690	0.000	2	108.3690	0.000	2	109.2986	0.968	117	109.2986	0.968	117
490	951	969	0:SP3_SP-NON_SP-NON	C	H	Ga	4:3:1:1:	4:	4:4:4:	Si-4:Ga-3:H-1:H-1:	C-4:	C-4:C-4:C-4:	C(SiC[6]CC)(GaCC)(H)2	H(CGaSiH)	Ga(CSiHH)(CH3)2	C(SiC[6]CC)(GaCC)(H)2	H(CGaSiH)	Ga(CSiHH)(CH3)2	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	109.2986	0.968	117	109.2986	0.968	117
490	951	977	0:SP3_SP-NON_SP-NON	C	H	S	1:1:1:1:	4:	4:	H-1:H-1:H-1:S-1:	C-4:	C-4:	C(H)3(S)	H(CHHS)	S(CH3)	C(H)3(S)	H(CHHS)	S(CH3)	109.4170	0.143	6	109.4170	0.021	6	109.4170	0.021	6	109.4170	0.021	6	109.0836	0.893	27	109.0836	0.893	27
490	951	977	0:SP3_SP-NON_SP-NON	C	H	S	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)	S(CHHS)	C(SRuC)(H)2(S)	H(CHSS)	S(CHHS)	109.7630	0.136	2	109.7630	0.018	2	109.7630	0.018	2	109.7630	0.018	2	109.0836	0.893	27	109.0836	0.893	27
490	951	977	0:SP3_SP-NON_SP-NON	C	H	S	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)	S(CCHH)	C(CCHH)(H)2(S)	H(CCHS)	S(CCHH)	108.7131	1.685	8	108.7131	2.840	8	108.9256	1.223	18	108.9256	1.223	18	109.0836	0.893	27	109.0836	0.893	27
490	951	977	0:SP3_SP-NON_SP-NON	C	H	S	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)	S(CCHH)	C(CCHN)(H)2(S)	H(CCHS)	S(CCHH)	108.9213	0.065	4	108.9213	0.004	4	108.9256	1.223	18	108.9256	1.223	18	109.0836	0.893	27	109.0836	0.893	27
490	951	977	0:SP3_SP-NON_SP-NON	C	H	S	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)	S(CCHH)	C(CHHN)(H)2(S)	H(CCHS)	S(CCHH)	109.2640	0.056	4	109.2640	0.003	4	108.9256	1.223	18	108.9256	1.223	18	109.0836	0.893	27	109.0836	0.893	27
490	951	977	0:SP3_SP-NON_SP-NON	C	H	S	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)	S(CCHH)	C(CHHS)(H)2(S)	H(CCHS)	S(CCHH)	109.1075	0.013	2	109.1075	0.000	2	108.9256	1.223	18	108.9256	1.223	18	109.0836	0.893	27	109.0836	0.893	27
490	951	977	0:SP3_SP-NON_SP-NON	C	H	S	4:4:1:1:	4:	4:	C-4:C-4:H-1:S-1:	C-4:	C-4:	C(CN[5a]HH)(CH3)(H)(S)	H(CCCS)	S(CCCH)	C(CN[5a]HH)(CH3)(H)(S)	H(CCCS)	S(CCCH)	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	109.0836	0.893	27	109.0836	0.893	27
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	2:4:3:	Si-3:H-1:H-1:H-1:	C-4:	O-2:C-4:C-3:	C(SiCO)(H)3	H(CSiHH)	Si(OC[6])(CH3)(CCC)	C(SiCO)(H)3	H(CSiHH)	Si(OC[6])(CH3)(CCC)	109.4680	0.066	2	109.4680	0.004	2	109.4680	0.004	2	109.4680	0.004	2	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	3:3:4:	Si-3:H-1:H-1:H-1:	C-4:	C[5]-3:Si-3:C-4:	C(SiC[5]Si)(H)3	H(CSiHH)	Si(C[5]C[5]N[5])(SiC[5]C)(CH3)	C(SiC[5]Si)(H)3	H(CSiHH)	Si(C[5]C[5]N[5])(SiC[5]C)(CH3)	109.4284	0.039	5	109.4284	0.002	5	109.4284	0.002	5	109.4386	0.001	7	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	3:3:4:	Si-3:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:	C(SiC[6a]2)(H)3	H(CSiHH)	Si(C[6a]C[6a]2)2(CH3)	C(SiC[6a]2)(H)3	H(CSiHH)	Si(C[6a]C[6a]2)2(CH3)	109.4640	0.031	2	109.4640	0.001	2	109.4640	0.001	2	109.4386	0.001	7	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	3:4:4:	Si-3:H-1:H-1:H-1:	C-4:	C[5]-3:C-4:C-4:	C(SiC[5]C)(H)3	H(CSiHH)	Si(C[5]C[5]N[5])(CH3)2	C(SiC[5]C)(H)3	H(CSiHH)	Si(C[5]C[5]N[5])(CH3)2	109.4627	0.029	4	109.4627	0.001	4	109.4627	0.001	4	109.4695	0.001	22	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	3:4:4:	Si-3:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:	C(SiC[6a]C)(H)3	H(CSiHH)	Si(C[6a]C[6a,6a]C[6a])(CH3)2	C(SiC[6a]C)(H)3	H(CSiHH)	Si(C[6a]C[6a,6a]C[6a])(CH3)2	109.4700	0.029	5	109.4700	0.001	5	109.4711	0.001	18	109.4695	0.001	22	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	3:4:4:	Si-3:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:	C(SiC[6a]C)(H)3	H(CSiHH)	Si(C[6a]C[6a]2)(CH3)2	C(SiC[6a]C)(H)3	H(CSiHH)	Si(C[6a]C[6a]2)(CH3)2	109.4715	0.028	13	109.4715	0.001	13	109.4711	0.001	18	109.4695	0.001	22	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	4:3:2:	Si-3:H-1:H-1:H-1:	C-4:	C-4:C-3:O-2:	C(SiCO)(H)3	H(CSiHH)	Si(CH3)(CCC)(OC)	C(SiCO)(H)3	H(CSiHH)	Si(CH3)(CCC)(OC)	109.4980	0.909	3	109.4980	0.827	3	109.4980	0.827	3	109.4980	0.827	3	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	4:4:2:	Si-3:H-1:H-1:H-1:	C-4:	C-4:C-4:O-2:	C(SiCO)(H)3	H(CSiHH)	Si(CH3)2(OSi)	C(SiCO)(H)3	H(CSiHH)	Si(CH3)2(OSi)	109.1972	0.368	6	109.1972	0.135	6	109.1972	0.135	6	109.1972	0.135	6	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	4:4:4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:	C(SiCC)(H)3	H(CSiHH)	Si(CC3)2(CH3)	C(SiCC)(H)3	H(CSiHH)	Si(CC3)2(CH3)	109.5241	0.202	16	109.5241	0.041	16	109.4877	0.010	71	109.4847	0.008	88	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	4:4:4:	Si-3:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:	C(SiCC)(H)3	H(CSiHH)	Si(CH3)3	C(SiCC)(H)3	H(CSiHH)	Si(CH3)3	109.4771	0.037	55	109.4771	0.001	55	109.4877	0.010	71	109.4847	0.008	88	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	4:4:4:	Si-3:H-1:H-1:H-1:	C-4:	C[5,5]-4:C-4:C-4:	C(SiC[5,5]C)(H)3	H(CSiHH)	Si(C[5,5]C[5,6a]2C[3x5])(CH3)2	C(SiC[5,5]C)(H)3	H(CSiHH)	Si(C[5,5]C[5,6a]2C[3x5])(CH3)2	109.4739	0.031	8	109.4739	0.001	8	109.4739	0.001	8	109.4847	0.008	88	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	4:4:4:	Si-3:H-1:H-1:H-1:	C-4:	C[5]-4:C-4:C-4:	C(SiC[5]C)(H)3	H(CSiHH)	Si(C[5]C[5]2Zr)(CH3)2	C(SiC[5]C)(H)3	H(CSiHH)	Si(C[5]C[5]2Zr)(CH3)2	109.4712	0.036	9	109.4712	0.001	9	109.4712	0.001	9	109.4847	0.008	88	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:1:1:1:	4:	5:4:3:	Si-3:H-1:H-1:H-1:	C-4:	Si-5:C-4:C-3:	C(SiSiC)(H)3	H(CSiHH)	Si(SiLi2SiC)(CH3)(CCC)	C(SiSiC)(H)3	H(CSiHH)	Si(SiLi2SiC)(CH3)(CCC)	110.6847	1.455	3	110.6847	2.116	3	110.6847	2.116	3	110.6847	2.116	3	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:4:1:1:	4:	3:3:4:	Si-3:C-4:H-1:H-1:	C-4:	C[6a]-3:Si-3:C-4:	C(SiC[6a]Si)(CCHH)(H)2	H(CSiCH)	Si(C[6a]C[6a]2)(SiC[6a]Br)(CCHH)	C(SiC[6a]Si)(CCHH)(H)2	H(CSiCH)	Si(C[6a]C[6a]2)(SiC[6a]Br)(CCHH)	108.5520	0.016	2	108.5520	0.000	2	108.5520	0.000	2	108.5520	0.000	2	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:4:1:1:	4:	4:4:4:	Si-3:C-4:H-1:H-1:	C-4:	C[6]-4:C-4:C-4:	C(SiC[6]C)(CH3)(H)2	H(CSiCH)	Si(C[6]C[6]2H)(CCHH)2	C(SiC[6]C)(CH3)(H)2	H(CSiCH)	Si(C[6]C[6]2H)(CCHH)2	108.6317	0.214	15	108.6317	0.046	15	108.6317	0.046	15	108.6568	0.053	16	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:4:1:1:	4:	4:4:4:	Si-3:C-4:H-1:H-1:	C-4:	Si[4]-4:Si[4]-4:C-4:	C(SiSi[4]2)(CBHH)(H)2	H(CSiCH)	Si(Si[4]C[6a]N[4]2)2(CCHH)	C(SiSi[4]2)(CBHH)(H)2	H(CSiCH)	Si(Si[4]C[6a]N[4]2)2(CCHH)	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	108.6568	0.053	16	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:4:4:1:	4:	3:3:4:	Si-3:C-4:C-4:H-1:	C-4:	C[6a]-3:Si[5]-3:C-4:	C(SiC[6a]Si[5])(CH3)2(H)	H(CSiCC)	Si(C[6a]C[6a]2)(Si[5]C[5]2)(CCCH)	C(SiC[6a]Si[5])(CH3)2(H)	H(CSiCC)	Si(C[6a]C[6a]2)(Si[5]C[5]2)(CCCH)	106.4030	0.488	2	106.4030	0.238	2	106.4030	0.238	2	106.4030	0.238	2	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:4:4:1:	4:	4:4:4:	Si-3:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:	C(SiCC)(CH3)2(H)	H(CSiCC)	Si(CCCH)3	C(SiCC)(CH3)2(H)	H(CSiCC)	Si(CCCH)3	106.3575	0.740	6	106.3575	0.548	6	106.6524	0.741	8	106.6524	0.741	8	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	3:4:4:1:	4:	4:4:4:	Si-3:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:	C(SiCC)(CH3)2(H)	H(CSiCC)	Si(CSi2H)2(CCCH)	C(SiCC)(CH3)2(H)	H(CSiCC)	Si(CSi2H)2(CCCH)	107.5370	0.598	2	107.5370	0.358	2	106.6524	0.741	8	106.6524	0.741	8	109.0004	2.513	163	109.0004	2.513	163
490	951	979	0:SP3_SP-NON_SP2	C	H	Si	4:4:3:1:	4:	4:4:4:	Si-4:Si-4:Si-3:H-1:	C-4:	C-4:C-4:C-4:	C(SiC3)2(SiCC)(H)	H(CSi3)	Si(CSi2H)2(CCCH)	C(SiC3)2(SiCC)(H)	H(CSi3)	Si(CSi2H)2(CCCH)	100.4271	0.977	4	100.4271	0.954	4	100.4271	0.954	4	100.4271	0.954	4	109.0004	2.513	163	109.0004	2.513	163
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4,4,5,5]	4:1:1:1:	4:	5:5:4:4:	N[4,4,5,5]-4:H-1:H-1:H-1:	C-4:	C[4x4,6x5,6]-5:C[4x4,6x5,6]-5:C-4:C-4:	C(N[4,4,5,5]C[4x4,6x5,6]2C)(H)3	H(CN[4,4,5,5]HH)	N[4,4,5,5](C[4x4,6x5,6]C[4x4,5,5]2H[3x5,6]2)2(CH3)2	C(N[4,4,5,5]C[4x4,6x5,6]2C)(H)3	H(CN[4,4,5,5]HH)	N[4,4,5,5](C[4x4,6x5,6]C[4x4,5,5]2H[3x5,6]2)2(CH3)2{1|N<5>,4|H<1>}	109.5170	0.746	3	109.5170	0.557	3	109.5170	0.557	3	109.5170	0.557	3	109.5170	0.557	3	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	3:4:1:1:	4:	4:4:4:1:	C[6a]-3:N[4]-4:H-1:H-1:	C-4:	C[4]-4:C[4]-4:C-4:H-1:	C(C[6a]C[6a]2)(N[4]C[4]2H)(H)2	H(CC[6a]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[4]C[4]2H)(H)2	H(CC[6a]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)(H){2|H<1>}	109.0240	0.535	2	109.0240	0.286	2	109.0240	0.286	2	109.0240	0.286	2	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	3:4:4:1:	4:	4:4:4:4:	C[6a]-3:N[4]-4:C-4:H-1:	C-4:	C[4]-4:C[4]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	H(CC[6a]N[4]C)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	H(CC[6a]N[4]C)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3){2|H<1>}	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	3:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	C[4,6a]-3:B[4]-4:C-4:C-4:	C(N[4]C[4,6a]B[4]C)(H)3	H(CN[4]HH)	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]C[6a]2)(CH3)2	C(N[4]C[4,6a]B[4]C)(H)3	H(CN[4]HH)	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]C[6a]2)(CH3)2{1|H<1>,6|C<3>}	109.4789	0.046	8	109.4789	0.002	8	109.4812	0.001	13	109.4812	0.001	13	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	3:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	C[4,6a]-3:B[4]-4:C-4:C-4:	C(N[4]C[4,6a]B[4]C)(H)3	H(CN[4]HH)	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]Cl2)(CH3)2	C(N[4]C[4,6a]B[4]C)(H)3	H(CN[4]HH)	N[4](C[4,6a]C[4,6a]C[6a])(B[4]C[4,6a]Cl2)(CH3)2{1|H<1>,2|C<3>}	109.4850	0.027	5	109.4850	0.001	5	109.4812	0.001	13	109.4812	0.001	13	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	4:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	B[4]-4:B[4]-4:C-4:C-4:	C(N[4]B[4]2C)(H)3	H(CN[4]HH)	N[4](B[4]N[4]Br2)2(CH3)2	C(N[4]B[4]2C)(H)3	H(CN[4]HH)	N[4](B[4]N[4]Br2)2(CH3)2{2|C<4>}	109.4565	0.039	2	109.4565	0.002	2	109.4709	0.000	12	109.4639	0.001	24	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	4:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	B[4]-4:B[4]-4:C-4:C-4:	C(N[4]B[4]2C)(H)3	H(CN[4]HH)	N[4](B[4]N[4]HH)2(CH3)2	C(N[4]B[4]2C)(H)3	H(CN[4]HH)	N[4](B[4]N[4]HH)2(CH3)2{2|C<4>}	109.4738	0.017	10	109.4738	0.000	10	109.4709	0.000	12	109.4639	0.001	24	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	4:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	C[4]-4:C[4]-4:B-4:C-4:	C(N[4]C[4]2B)(H)3	H(CN[4]HH)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]HH)(BH3)(CH3)	C(N[4]C[4]2B)(H)3	H(CN[4]HH)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]HH)(BH3)(CH3){2|C<3>,2|H<1>}	109.4563	0.030	3	109.4563	0.001	3	109.4563	0.001	3	109.4639	0.001	24	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	4:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	C[4]-4:C[4]-4:C-4:C-4:	C(N[4]C[4]2C)(H)3	H(CN[4]HH)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3)	C(N[4]C[4]2C)(H)3	H(CN[4]HH)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3){2|H<1>}	109.4643	0.039	3	109.4643	0.001	3	109.4643	0.001	3	109.4639	0.001	24	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	4:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	C[5]-4:C[4]-4:C[4]-4:C-4:	C(N[4]C[4]2C[5])(H)3	H(CN[4]HH)	N[4](C[5]C[5,6a]C[5]H)(C[4]C[4]CH)(C[4]C[4]HH)(CH3)	C(N[4]C[4]2C[5])(H)3	H(CN[4]HH)	N[4](C[5]C[5,6a]C[5]H)(C[4]C[4]CH)(C[4]C[4]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	109.4533	0.039	6	109.4533	0.002	6	109.4533	0.002	6	109.4639	0.001	24	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	5:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	Ga[4]-5:Si[4]-4:C-4:C-4:	C(N[4]Ga[4]Si[4]C)(H)3	H(CN[4]HH)	N[4](Ga[4]C[4]C[5]2Fe)(Si[4]C[4]CC)(CH3)2	C(N[4]Ga[4]Si[4]C)(H)3	H(CN[4]HH)	N[4](Ga[4]C[4]C[5]2Fe)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	109.4707	0.016	4	109.4707	0.000	4	109.4678	0.001	20	109.4678	0.001	20	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	5:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	Ga[4]-5:Si[4]-4:C-4:C-4:	C(N[4]Ga[4]Si[4]C)(H)3	H(CN[4]HH)	N[4](Ga[4]C[4]C[5]2Ru)(Si[4]C[4]CC)(CH3)2	C(N[4]Ga[4]Si[4]C)(H)3	H(CN[4]HH)	N[4](Ga[4]C[4]C[5]2Ru)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	109.4430	0.033	5	109.4430	0.001	5	109.4678	0.001	20	109.4678	0.001	20	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	5:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	Ga[4]-5:Si[4]-4:C-4:C-4:	C(N[4]Ga[4]Si[4]C)(H)3	H(CN[4]HH)	N[4](Ga[4]C[4]C[6]2Cr)(Si[4]C[4]CC)(CH3)2	C(N[4]Ga[4]Si[4]C)(H)3	H(CN[4]HH)	N[4](Ga[4]C[4]C[6]2Cr)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	109.4653	0.042	6	109.4653	0.002	6	109.4678	0.001	20	109.4678	0.001	20	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:1:1:1:	4:	5:4:4:4:	N[4]-4:H-1:H-1:H-1:	C-4:	Ga[4]-5:Si[4]-4:C-4:C-4:	C(N[4]Ga[4]Si[4]C)(H)3	H(CN[4]HH)	N[4](Ga[4]C[4]C[6]2V)(Si[4]C[4]CC)(CH3)2	C(N[4]Ga[4]Si[4]C)(H)3	H(CN[4]HH)	N[4](Ga[4]C[4]C[6]2V)(Si[4]C[4]CC)(CH3)2{2|Si<4>,4|C<4>}	109.4934	0.022	5	109.4934	0.000	5	109.4678	0.001	20	109.4678	0.001	20	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:4:1:1:	4:	4:4:4:1:	C[5]-4:N[4]-4:H-1:H-1:	C-4:	C[4]-4:C[4]-4:C-4:H-1:	C(C[5]C[5]2Fe)(N[4]C[4]2H)(H)2	H(CC[5]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(N[4]C[4]2H)(H)2	H(CC[5]N[4]H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[5]HH)(H){2|H<1>}	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	109.5817	2.466	6	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:4:1:1:	4:	4:4:4:1:	N[4]-4:C-4:H-1:H-1:	C-4:	C[4,6]-4:C[4]-4:C-4:H-1:	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	H(CN[4]CH)	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH)(H)	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	H(CN[4]CH)	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH)(H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	109.8865	0.040	2	109.8865	0.002	2	109.8865	0.002	2	109.5817	2.466	6	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:4:1:1:	4:	4:4:4:1:	N[4]-4:C-4:H-1:H-1:	C-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	C(N[4]Ga[4]2H)(CC3)(H)2	H(CN[4]CH)	N[4](Ga[4]N[4]ClH)2(CCHH)(H)	C(N[4]Ga[4]2H)(CC3)(H)2	H(CN[4]CH)	N[4](Ga[4]N[4]ClH)2(CCHH)(H){1|C<4>,1|H<1>}	108.2460	0.000	1	108.2460	0.000	1	109.5027	5.994	3	109.5817	2.466	6	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:4:1:1:	4:	4:4:4:1:	N[4]-4:C-4:H-1:H-1:	C-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	C(N[4]Ga[4]2H)(CC3)(H)2	H(CN[4]CH)	N[4](Ga[4]N[4]HH)2(CCHH)(H)	C(N[4]Ga[4]2H)(CC3)(H)2	H(CN[4]CH)	N[4](Ga[4]N[4]HH)2(CCHH)(H){1|C<4>,1|H<1>}	110.1310	3.101	2	110.1310	9.618	2	109.5027	5.994	3	109.5817	2.466	6	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:4:1:1:	4:	4:4:4:4:	N[4]-4:C-4:H-1:H-1:	C-4:	B[4]-4:B[4]-4:C-4:C-4:	C(N[4]B[4]2C)(CHHP)(H)2	H(CN[4]CH)	N[4](B[4]N[4]HH)2(CCHH)2	C(N[4]B[4]2C)(CHHP)(H)2	H(CN[4]CH)	N[4](B[4]N[4]HH)2(CCHH)2{2|C<4>}	108.9282	0.127	4	108.9282	0.016	4	108.9282	0.016	4	108.3631	0.764	27	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:4:1:1:	4:	4:4:4:4:	N[4]-4:C-4:H-1:H-1:	C-4:	B[4]-4:C[4]-4:C-4:C-4:	C(N[4]B[4]C[4]C)(CH3)(H)2	H(CN[4]CH)	N[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(CCHH)2	C(N[4]B[4]C[4]C)(CH3)(H)2	H(CN[4]CH)	N[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(CCHH)2{2|H<1>,6|C<3>}	107.7124	1.182	10	107.7124	1.398	10	107.7124	1.398	10	108.3631	0.764	27	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:4:1:1:	4:	4:4:4:4:	N[4]-4:C-4:H-1:H-1:	C-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	C(N[4]Ga[4]2C)(CH3)(H)2	H(CN[4]CH)	N[4](Ga[4]N[4]CH)2(CCHH)2	C(N[4]Ga[4]2C)(CH3)(H)2	H(CN[4]CH)	N[4](Ga[4]N[4]CH)2(CCHH)2{2|C<4>}	108.7060	0.119	4	108.7060	0.014	4	108.6898	0.029	13	108.3631	0.764	27	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:4:1:1:	4:	4:4:4:4:	N[4]-4:C-4:H-1:H-1:	C-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	C(N[4]Ga[4]2C)(CH3)(H)2	H(CN[4]CH)	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2	C(N[4]Ga[4]2C)(CH3)(H)2	H(CN[4]CH)	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2{2|C<4>}	108.6872	0.236	6	108.6872	0.056	6	108.6898	0.029	13	108.3631	0.764	27	109.1152	0.679	93	109.1277	0.675	96
490	951	980	0:SP3_SP-NON_SP3	C	H	N[4]	4:4:1:1:	4:	4:4:4:4:	N[4]-4:C-4:H-1:H-1:	C-4:	Ga[4]-4:Ga[4]-4:C-4:C-4:	C(N[4]Ga[4]2C)(CH3)(H)2	H(CN[4]CH)	N[4](Ga[4]N[4]ClC)2(CCHH)2	C(N[4]Ga[4]2C)(CH3)(H)2	H(CN[4]CH)	N[4](Ga[4]N[4]ClC)2(CCHH)2{2|C<4>}	108.6737	0.101	3	108.6737	0.010	3	108.6898	0.029	13	108.3631	0.764	27	109.1152	0.679	93	109.1277	0.675	96
490	951	982	0:SP3_SP-NON_SPD5	C	H	Ge[3,3]	5:1:1:1:	4:	3:3:4:4:1:	Ge[3,3]-5:H-1:H-1:H-1:	C-4:	N[3]-3:N[3]-3:B[3,3]-4:C-4:I-1:	C(Ge[3,3]B[3,3]N[3]2I)(H)3	H(CGe[3,3]HH)	Ge[3,3](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(CH3)(I)	C(Ge[3,3]B[3,3]N[3]2I)(H)3	H(CGe[3,3]HH)	Ge[3,3](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(CH3)(I){4|C<3>}	109.4643	0.215	3	109.4643	0.046	3	109.4643	0.046	3	109.4643	0.046	3	109.4643	0.046	3	109.1397	0.148	6
490	951	982	0:SP3_SP-NON_SPD5	C	H	Ge[3,4,4,3x5,4x6]	5:4:1:1:	4:	5:4:3:2:4:	Ge[3,4,4,3x5,4x6]-5:C-4:H-1:H-1:	C-4:	Ge[3,3,4,4,5,5,6,6]-5:Ge[3,4,5,5,3x6]-4:Ge[3,4,4,5,5,6]-3:Ge[4,5,5,6,6]-2: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)	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(CCHH)	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)	Ge[3,4,4,3x5,4x6](Ge[3,3,4,4,5,5,6,6]Ge[3,3,4,4,5,3x6]Ge[3,4,4,5,3x6]Ge[3,4,4,5,5,6]Si)(Ge[3,4,5,5,3x6]Ge[3,3,4,4,5,3x6]Ge[3,4,3x5,6,6]Si)(Ge[3,4,4,5,5,6]Ge[3,3,4,4,5,5,6,6]Ge[3x4,4x5,4x6])(Ge[4,5,5,6,6]Ge[3x4,4x5,4x6])(CCHH){1|Si<4>}	108.8150	0.081	3	108.8150	0.007	3	108.8150	0.007	3	108.8150	0.007	3	108.8150	0.007	3	109.1397	0.148	6
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	2:4:	C-2:H-1:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(H)3	H(CCHH)	C(CC[3])(CH3)	C(CC)(H)3	H(CCHH)	C(CC[3])(CH3)	109.4613	0.015	3	109.4613	0.000	3	110.7423	104.653	101	110.5601	89.646	118	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	2:4:	C-2:H-1:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(H)3	H(CCHH)	C(CC[4,6])(CH3)	C(CC)(H)3	H(CCHH)	C(CC[4,6])(CH3)	109.9146	3.088	9	109.9146	9.536	9	110.7423	104.653	101	110.5601	89.646	118	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	2:4:	C-2:H-1:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(H)3	H(CCHH)	C(CC[4])(CH3)	C(CC)(H)3	H(CCHH)	C(CC[4])(CH3)	109.4613	0.011	3	109.4613	0.000	3	110.7423	104.653	101	110.5601	89.646	118	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	2:4:	C-2:H-1:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(H)3	H(CCHH)	C(CC[5])(CH3)	C(CC)(H)3	H(CCHH)	C(CC[5])(CH3)	113.4232	23.016	20	113.4232	529.744	20	110.7423	104.653	101	110.5601	89.646	118	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	2:4:	C-2:H-1:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(H)3	H(CCHH)	C(CC[5a])(CH3)	C(CC)(H)3	H(CCHH)	C(CC[5a])(CH3)	109.4824	0.067	9	109.4824	0.004	9	110.7423	104.653	101	110.5601	89.646	118	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	2:4:	C-2:H-1:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(H)3	H(CCHH)	C(CC[6a])(CH3)	C(CC)(H)3	H(CCHH)	C(CC[6a])(CH3)	110.1311	1.416	55	110.1311	2.005	55	110.7423	104.653	101	110.5601	89.646	118	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	2:4:	C-2:H-1:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(H)3	H(CCHH)	C(CN[6])(CH3)	C(CC)(H)3	H(CCHH)	C(CN[6])(CH3)	113.9780	0.245	2	113.9780	0.060	2	110.7423	104.653	101	110.5601	89.646	118	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	2:4:	C-2:H-1:H-1:H-1:	C-4:	N-2:C-4:	C(CN)(H)3	H(CCHH)	C(NB[3x3,3x5,12x6])(CH3)	C(CN)(H)3	H(CCHH)	C(NB[3x3,3x5,12x6])(CH3)	109.4715	0.012	2	109.4715	0.000	2	109.4774	0.001	17	110.5601	89.646	118	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	2:4:	C-2:H-1:H-1:H-1:	C-4:	N-2:C-4:	C(CN)(H)3	H(CCHH)	C(NB[6,6])(CH3)	C(CN)(H)3	H(CCHH)	C(NB[6,6])(CH3)	109.4674	0.021	9	109.4674	0.000	9	109.4774	0.001	17	110.5601	89.646	118	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	2:4:	C-2:H-1:H-1:H-1:	C-4:	N-2:C-4:	C(CN)(H)3	H(CCHH)	C(NB[6])(CH3)	C(CN)(H)3	H(CCHH)	C(NB[6])(CH3)	109.4943	0.031	6	109.4943	0.001	6	109.4774	0.001	17	110.5601	89.646	118	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	3:4:	C-2:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:	C(CC[6a])(H)3	H(CCHH)	C(C[6a]C[6a]2)(CH3)	C(CC[6a])(H)3	H(CCHH)	C(C[6a]C[6a]2)(CH3)	109.6040	0.205	3	109.6040	0.042	3	109.6040	0.042	3	109.5133	0.011	12	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	3:4:	C-2:H-1:H-1:H-1:	C-4:	N[5]-3:C-4:	C(CN[5])(H)3	H(CCHH)	C(N[5]C[5,6a]C[5])(CH3)	C(CN[5])(H)3	H(CCHH)	C(N[5]C[5,6a]C[5])(CH3)	109.4870	0.034	3	109.4870	0.001	3	109.4870	0.001	3	109.5133	0.011	12	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	3:4:	C-2:H-1:H-1:H-1:	C-4:	N[5a]-3:C-4:	C(CN[5a])(H)3	H(CCHH)	C(N[5a]C[5a]2)(CH3)	C(CN[5a])(H)3	H(CCHH)	C(N[5a]C[5a]2)(CH3)	109.4810	0.027	6	109.4810	0.001	6	109.4810	0.001	6	109.5133	0.011	12	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:1:	C-2:Cl-1:H-1:H-1:	C-4:	C-4:N-1:	C(CN)(Cl)(H)2	H(CClCH)	C(CClHH)(N)	C(CN)(Cl)(H)2	H(CClCH)	C(CClHH)(N)	109.4280	0.020	2	109.4280	0.000	2	109.4280	0.000	2	109.5062	1.416	13164	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:1:	C-2:H-1:H-1:H-1:	C-4:	C-4:H-1:	C(CH)(H)3	H(CCHH)	C(CH3)(H)	C(CH)(H)3	H(CCHH)	C(CH3)(H)	109.1430	0.860	6	109.1430	0.740	6	109.1430	0.740	6	109.5062	1.416	13164	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:1:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-1:	C(CN)(H)3	H(CCHH)	C(CH3)(N)	C(CN)(H)3	H(CCHH)	C(CH3)(N)	109.5065	1.190	13143	109.5065	1.417	13143	109.5065	1.417	13143	109.5062	1.416	13164	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:1:	C-2:H-1:H-1:H-1:	C-4:	C-4:O-1:	C(CO)(H)3	H(CCHH)	C(CH3)(O)	C(CO)(H)3	H(CCHH)	C(CH3)(O)	109.3802	0.984	13	109.3802	0.968	13	109.3802	0.968	13	109.5062	1.416	13164	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:Br-1:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(Br)(H)2	H(CBrCH)	C(CBrHH)(CC)	C(CC)(Br)(H)2	H(CBrCH)	C(CBrHH)(CC)	109.1985	0.048	4	109.1985	0.002	4	109.1985	0.002	4	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(H)3	H(CCHH)	C(CH3)(CAu)	C(CC)(H)3	H(CCHH)	C(CH3)(CAu)	109.4537	0.055	3	109.4537	0.003	3	109.5729	2.538	214	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(H)3	H(CCHH)	C(CH3)(CB)	C(CC)(H)3	H(CCHH)	C(CH3)(CB)	109.4705	0.006	4	109.4705	0.000	4	109.5729	2.538	214	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(H)3	H(CCHH)	C(CH3)(CC)	C(CC)(H)3	H(CCHH)	C(CH3)(CC)	109.6098	1.878	154	109.6098	3.528	154	109.5729	2.538	214	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(H)3	H(CCHH)	C(CH3)(CNi)	C(CC)(H)3	H(CCHH)	C(CH3)(CNi)	109.4709	0.033	11	109.4709	0.001	11	109.5729	2.538	214	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(H)3	H(CCHH)	C(CH3)(CP)	C(CC)(H)3	H(CCHH)	C(CH3)(CP)	109.4821	0.051	16	109.4821	0.003	16	109.5729	2.538	214	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(H)3	H(CCHH)	C(CH3)(CSn)	C(CC)(H)3	H(CCHH)	C(CH3)(CSn)	109.4862	0.051	12	109.4862	0.003	12	109.5729	2.538	214	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(H)3	H(CCHH)	C(CH3)(CW)	C(CC)(H)3	H(CCHH)	C(CH3)(CW)	109.4736	0.045	11	109.4736	0.002	11	109.5729	2.538	214	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(H)3	H(CCHH)	C(CH3)(CZr)	C(CC)(H)3	H(CCHH)	C(CH3)(CZr)	109.5033	0.023	3	109.5033	0.001	3	109.5729	2.538	214	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NAg)	C(CN)(H)3	H(CCHH)	C(CH3)(NAg)	109.6501	1.008	83	109.6501	1.016	83	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NAl)	C(CN)(H)3	H(CCHH)	C(CH3)(NAl)	109.9120	3.691	58	109.9120	13.622	58	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NAu)	C(CN)(H)3	H(CCHH)	C(CH3)(NAu)	109.4528	0.049	12	109.4528	0.002	12	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NB)	C(CN)(H)3	H(CCHH)	C(CH3)(NB)	109.4764	0.023	10	109.4764	0.001	10	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NBi)	C(CN)(H)3	H(CCHH)	C(CH3)(NBi)	109.4813	0.045	3	109.4813	0.002	3	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NCa)	C(CN)(H)3	H(CCHH)	C(CH3)(NCa)	109.4600	0.069	13	109.4600	0.005	13	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NCd)	C(CN)(H)3	H(CCHH)	C(CH3)(NCd)	109.4581	0.041	12	109.4581	0.002	12	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NCe)	C(CN)(H)3	H(CCHH)	C(CH3)(NCe)	109.4728	0.033	31	109.4728	0.001	31	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NCo)	C(CN)(H)3	H(CCHH)	C(CH3)(NCo)	109.3897	0.734	238	109.3897	0.538	238	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NCr)	C(CN)(H)3	H(CCHH)	C(CH3)(NCr)	109.4018	0.580	42	109.4018	0.337	42	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NCu)	C(CN)(H)3	H(CCHH)	C(CH3)(NCu)	109.4861	0.834	724	109.4861	0.695	724	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NEr)	C(CN)(H)3	H(CCHH)	C(CH3)(NEr)	109.4648	0.040	5	109.4648	0.002	5	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NFe)	C(CN)(H)3	H(CCHH)	C(CH3)(NFe)	109.4552	1.275	500	109.4552	1.626	500	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NGa)	C(CN)(H)3	H(CCHH)	C(CH3)(NGa)	115.7685	1.221	2	115.7685	1.491	2	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NH)	C(CN)(H)3	H(CCHH)	C(CH3)(NH)	109.4650	0.018	2	109.4650	0.000	2	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NHg)	C(CN)(H)3	H(CCHH)	C(CH3)(NHg)	109.3910	0.071	3	109.3910	0.005	3	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NIn)	C(CN)(H)3	H(CCHH)	C(CH3)(NIn)	109.4950	5.163	3	109.4950	26.660	3	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NIr)	C(CN)(H)3	H(CCHH)	C(CH3)(NIr)	109.4859	0.805	273	109.4859	0.647	273	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NLa)	C(CN)(H)3	H(CCHH)	C(CH3)(NLa)	109.4752	0.050	47	109.4752	0.003	47	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NLi)	C(CN)(H)3	H(CCHH)	C(CH3)(NLi)	109.5869	0.608	69	109.5869	0.369	69	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NMg)	C(CN)(H)3	H(CCHH)	C(CH3)(NMg)	109.1283	2.035	12	109.1283	4.142	12	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NMn)	C(CN)(H)3	H(CCHH)	C(CH3)(NMn)	109.5018	0.269	93	109.5018	0.072	93	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NMo)	C(CN)(H)3	H(CCHH)	C(CH3)(NMo)	109.5083	0.356	121	109.5083	0.127	121	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NN)	C(CN)(H)3	H(CCHH)	C(CH3)(NN)	109.3783	0.044	3	109.3783	0.002	3	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NNb)	C(CN)(H)3	H(CCHH)	C(CH3)(NNb)	109.4783	0.074	4	109.4783	0.005	4	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NNd)	C(CN)(H)3	H(CCHH)	C(CH3)(NNd)	109.4896	0.027	10	109.4896	0.001	10	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NNi)	C(CN)(H)3	H(CCHH)	C(CH3)(NNi)	109.5472	1.153	407	109.5472	1.330	407	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NOs)	C(CN)(H)3	H(CCHH)	C(CH3)(NOs)	109.5516	0.391	74	109.5516	0.153	74	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NPb)	C(CN)(H)3	H(CCHH)	C(CH3)(NPb)	109.5107	0.029	3	109.5107	0.001	3	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NPd)	C(CN)(H)3	H(CCHH)	C(CH3)(NPd)	109.5908	0.689	393	109.5908	0.475	393	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NPr)	C(CN)(H)3	H(CCHH)	C(CH3)(NPr)	109.4837	0.064	27	109.4837	0.004	27	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NPt)	C(CN)(H)3	H(CCHH)	C(CH3)(NPt)	109.4765	0.161	79	109.4765	0.026	79	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NRe)	C(CN)(H)3	H(CCHH)	C(CH3)(NRe)	109.4409	0.306	133	109.4409	0.094	133	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NRh)	C(CN)(H)3	H(CCHH)	C(CH3)(NRh)	109.5047	0.253	280	109.5047	0.064	280	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NRu)	C(CN)(H)3	H(CCHH)	C(CH3)(NRu)	109.4831	0.697	564	109.4831	0.485	564	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NSm)	C(CN)(H)3	H(CCHH)	C(CH3)(NSm)	109.4494	0.051	11	109.4494	0.003	11	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NTc)	C(CN)(H)3	H(CCHH)	C(CH3)(NTc)	109.4607	0.030	20	109.4607	0.001	20	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NTi)	C(CN)(H)3	H(CCHH)	C(CH3)(NTi)	109.4911	0.030	7	109.4911	0.001	7	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NTm)	C(CN)(H)3	H(CCHH)	C(CH3)(NTm)	109.4827	0.083	16	109.4827	0.007	16	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NU)	C(CN)(H)3	H(CCHH)	C(CH3)(NU)	109.4705	0.138	36	109.4705	0.019	36	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NV)	C(CN)(H)3	H(CCHH)	C(CH3)(NV)	109.4862	0.029	14	109.4862	0.001	14	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NW)	C(CN)(H)3	H(CCHH)	C(CH3)(NW)	109.4687	0.040	15	109.4687	0.002	15	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NY)	C(CN)(H)3	H(CCHH)	C(CH3)(NY)	109.4993	0.024	3	109.4993	0.001	3	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NYb)	C(CN)(H)3	H(CCHH)	C(CH3)(NYb)	109.4739	0.070	21	109.4739	0.005	21	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NZn)	C(CN)(H)3	H(CCHH)	C(CH3)(NZn)	109.3138	1.388	91	109.3138	1.926	91	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(H)3	H(CCHH)	C(CH3)(NZr)	C(CN)(H)3	H(CCHH)	C(CH3)(NZr)	110.5710	2.050	8	110.5710	4.201	8	109.5017	0.875	4575	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:H-1:	C-4:	C-4:O-2:	C(CO)(H)3	H(CCHH)	C(CH3)(OC)	C(CO)(H)3	H(CCHH)	C(CH3)(OC)	109.4845	0.561	6	109.4845	0.315	6	109.4845	0.315	6	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:2:	C-2:H-1:H-1:O-1:	C-4:	C-4:C-2:	C(CC)(H)2(O)	H(CCHO)	C(CHHO)(CC)	C(CC)(H)2(O)	H(CCHO)	C(CHHO)(CC)	110.3805	2.142	8	110.3805	4.589	8	110.3805	4.589	8	109.5061	0.953	4807	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:3:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-3:	C(CC)(H)3	H(CCHH)	C(CH3)(CCH)	C(CC)(H)3	H(CCHH)	C(CH3)(CCH)	108.8622	1.049	6	108.8622	1.100	6	109.0701	0.785	9	109.0701	0.785	9	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:3:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-3:	C(CC)(H)3	H(CCHH)	C(CH3)(CHH)	C(CC)(H)3	H(CCHH)	C(CH3)(CHH)	109.4860	0.026	3	109.4860	0.001	3	109.0701	0.785	9	109.0701	0.785	9	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:4:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-4:	C(CC)(H)3	H(CCHH)	C(CCCO)(CH3)	C(CC)(H)3	H(CCHH)	C(CCCO)(CH3)	109.4843	0.038	3	109.4843	0.001	3	109.4732	0.003	26	109.4727	0.007	46	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:4:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-4:	C(CC)(H)3	H(CCHH)	C(CCHH)(CH3)	C(CC)(H)3	H(CCHH)	C(CCHH)(CH3)	109.4635	0.048	12	109.4635	0.002	12	109.4732	0.003	26	109.4727	0.007	46	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:4:	C-2:H-1:H-1:H-1:	C-4:	C-4:C-4:	C(CC)(H)3	H(CCHH)	C(CH3)2	C(CC)(H)3	H(CCHH)	C(CH3)2	109.4808	0.068	11	109.4808	0.005	11	109.4732	0.003	26	109.4727	0.007	46	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:4:	C-2:H-1:H-1:H-1:	C-4:	C-4:N-4:	C(CN)(H)3	H(CCHH)	C(CH3)(NC3)	C(CN)(H)3	H(CCHH)	C(CH3)(NC3)	109.4961	0.148	8	109.4961	0.022	8	109.4961	0.022	8	109.4727	0.007	46	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:4:	C-2:H-1:H-1:H-1:	C-4:	N-4:C-4:	C(CN)(H)3	H(CCHH)	C(NCHH)(CH3)	C(CN)(H)3	H(CCHH)	C(NCHH)(CH3)	109.4115	0.085	6	109.4115	0.007	6	109.4115	0.007	6	109.4727	0.007	46	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:4:	C-2:H-1:H-1:H-1:	C-4:	P-4:C-4:	C(CP)(H)3	H(CCHH)	C(PPtCC)(CH3)	C(CP)(H)3	H(CCHH)	C(PPtCC)(CH3)	109.5067	0.077	3	109.5067	0.006	3	109.5067	0.006	3	109.4727	0.007	46	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:1:1:1:	4:	4:4:	C-2:H-1:H-1:H-1:	C-4:	Si-4:C-4:	C(CSi)(H)3	H(CCHH)	C(SiRuCC)(CH3)	C(CSi)(H)3	H(CCHH)	C(SiRuCC)(CH3)	109.4940	0.040	3	109.4940	0.002	3	109.4940	0.002	3	109.4727	0.007	46	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	2:4:	C-2:O-2:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(OC)(H)2	H(CCHO)	C(CC[5a])(CHHO)	C(CC)(OC)(H)2	H(CCHO)	C(CC[5a])(CHHO)	109.8333	0.031	3	109.8333	0.001	3	109.2989	1.008	28	109.3170	0.981	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	2:4:	C-2:O-2:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(OC)(H)2	H(CCHO)	C(CC[6])(CHHO)	C(CC)(OC)(H)2	H(CCHO)	C(CC[6])(CHHO)	108.6595	0.021	2	108.6595	0.000	2	109.2989	1.008	28	109.3170	0.981	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	2:4:	C-2:O-2:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(OC)(H)2	H(CCHO)	C(CC[6a])(CHHO)	C(CC)(OC)(H)2	H(CCHO)	C(CC[6a])(CHHO)	109.6124	0.689	19	109.6124	0.475	19	109.2989	1.008	28	109.3170	0.981	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	2:4:	C-2:O-2:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(OH)(H)2	H(CCHO)	C(CC[5])(CHHO)	C(CC)(OH)(H)2	H(CCHO)	C(CC[5])(CHHO)	107.3125	2.135	2	107.3125	4.557	2	109.2989	1.008	28	109.3170	0.981	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	2:4:	C-2:O-2:H-1:H-1:	C-4:	C-2:C-4:	C(CC)(OH)(H)2	H(CCHO)	C(CC[6])(CHHO)	C(CC)(OH)(H)2	H(CCHO)	C(CC[6])(CHHO)	108.1455	0.039	2	108.1455	0.002	2	109.2989	1.008	28	109.3170	0.981	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	2:4:	C-2:O-2:H-1:H-1:	C-4:	O-2:C-4:	C(CO)(OC)(H)2	H(CCHO)	C(OC[6a])(CHHO)	C(CO)(OC)(H)2	H(CCHO)	C(OC[6a])(CHHO)	109.8240	0.000	1	109.8240	0.000	1	109.8240	0.000	1	109.3170	0.981	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:1:	C-2:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CN)2(H)2	H(CCCH)	C(CCHH)(N)	C(CN)2(H)2	H(CCCH)	C(CCHH)(N)	109.2391	0.142	11	109.2391	0.020	11	109.2391	0.020	11	109.2471	0.915	65	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:1:	C-2:N-2:H-1:H-1:	C-4:	C-4:N-1:	C(CN)(NH)(H)2	H(CCHN)	C(CHHN)(N)	C(CN)(NH)(H)2	H(CCHN)	C(CHHN)(N)	107.0610	0.038	2	107.0610	0.001	2	107.0610	0.001	2	109.2471	0.915	65	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:1:	C-2:O-2:H-1:H-1:	C-4:	C-4:N-1:	C(CN)(OC)(H)2	H(CCHO)	C(CHHO)(N)	C(CN)(OC)(H)2	H(CCHO)	C(CHHO)(N)	109.8060	0.645	6	109.8060	0.416	6	109.8060	0.416	6	109.2471	0.915	65	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:1:	O-2:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(OC[6a])(CN)(H)2	H(CCHO)	C(CHHO)(N)	C(OC[6a])(CN)(H)2	H(CCHO)	C(CHHO)(N)	109.3024	1.062	40	109.3024	1.127	40	109.3024	1.127	40	109.2471	0.915	65	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:1:	S-2:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(SC[5a])(CN)(H)2	H(CCHS)	C(CHHS)(N)	C(SC[5a])(CN)(H)2	H(CCHS)	C(CHHS)(N)	109.0630	0.328	6	109.0630	0.108	6	109.0630	0.108	6	109.2471	0.915	65	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC)2(H)2	H(CCCH)	C(CCHH)(CC)	C(CC)2(H)2	H(CCCH)	C(CCHH)(CC)	110.5185	0.019	2	110.5185	0.000	2	110.5185	0.000	2	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CN)2(H)2	H(CCCH)	C(CCHH)(NAs)	C(CN)2(H)2	H(CCCH)	C(CCHH)(NAs)	109.4035	0.008	2	109.4035	0.000	2	109.3575	0.003	4	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CN)2(H)2	H(CCCH)	C(CCHH)(NSb)	C(CN)2(H)2	H(CCCH)	C(CCHH)(NSb)	109.3115	0.009	2	109.3115	0.000	2	109.3575	0.003	4	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:O-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(OC)(H)2	H(CCHO)	C(CHHO)(CAu)	C(CC)(OC)(H)2	H(CCHO)	C(CHHO)(CAu)	108.9802	0.272	6	108.9802	0.074	6	109.6386	1.496	184	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:O-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(OC)(H)2	H(CCHO)	C(CHHO)(CC)	C(CC)(OC)(H)2	H(CCHO)	C(CHHO)(CC)	109.6509	1.425	78	109.6509	2.030	78	109.6386	1.496	184	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:O-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(OC)(H)2	H(CCHO)	C(CHHO)(CH)	C(CC)(OC)(H)2	H(CCHO)	C(CHHO)(CH)	109.7239	1.105	82	109.7239	1.222	82	109.6386	1.496	184	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:O-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(OC)(H)2	H(CCHO)	C(CHHO)(CSi)	C(CC)(OC)(H)2	H(CCHO)	C(CHHO)(CSi)	109.3340	0.008	2	109.3340	0.000	2	109.6386	1.496	184	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:O-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(OH)(H)2	H(CCHO)	C(CHHO)(CC)	C(CC)(OH)(H)2	H(CCHO)	C(CHHO)(CC)	109.1224	0.530	14	109.1224	0.281	14	109.6386	1.496	184	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:O-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(OS)(H)2	H(CCHO)	C(CHHO)(CC)	C(CC)(OS)(H)2	H(CCHO)	C(CHHO)(CC)	111.5520	0.205	2	111.5520	0.042	2	109.6386	1.496	184	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:O-2:H-1:H-1:	C-4:	C-4:N-2:	C(CN)(OH)(H)2	H(CCHO)	C(CHHO)(NC)	C(CN)(OH)(H)2	H(CCHO)	C(CHHO)(NC)	112.2730	0.093	2	112.2730	0.009	2	112.2730	0.009	2	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:O-2:H-1:H-1:	C-4:	C-4:O-2:	C(CO)(OC)(H)2	H(CCHO)	C(CHHO)(OC)	C(CO)(OC)(H)2	H(CCHO)	C(CHHO)(OC)	110.0170	0.268	4	110.0170	0.072	4	110.0170	0.072	4	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:S-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(SC)(H)2	H(CCHS)	C(CHHS)(CC)	C(CC)(SC)(H)2	H(CCHS)	C(CHHS)(CC)	110.6573	2.547	6	110.6573	6.489	6	109.9661	4.403	10	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	C-2:S-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC)(SC)(H)2	H(CCHS)	C(CHHS)(CSi)	C(CC)(SC)(H)2	H(CCHS)	C(CHHS)(CSi)	108.9292	0.081	4	108.9292	0.007	4	109.9661	4.403	10	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	N-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[5])(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NC[5])(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.3290	0.041	4	109.3290	0.002	4	109.0684	0.294	17	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	N-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[6a])(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NC[6a])(CC)(H)2	H(CCHN)	C(CHHN)(CC)	110.0650	0.027	2	110.0650	0.001	2	109.0684	0.294	17	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	N-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NP[6])(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NP[6])(CC)(H)2	H(CCHN)	C(CHHN)(CH)	108.7925	0.400	11	108.7925	0.160	11	109.0684	0.294	17	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OB[6])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	C(OB[6])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	109.1893	0.110	8	109.1893	0.012	8	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OC[3x6])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	C(OC[3x6])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	109.9645	0.019	2	109.9645	0.000	2	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OC[5,6])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	C(OC[5,6])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	109.5100	0.213	4	109.5100	0.045	4	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OC[5])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	C(OC[5])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	109.0475	0.043	2	109.0475	0.002	2	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OC[5a])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	C(OC[5a])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	110.4790	1.003	4	110.4790	1.006	4	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OC[6])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	C(OC[6])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	109.5347	0.687	11	109.5347	0.472	11	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OC[6a])(CC)(H)2	H(CCHO)	C(CHHO)(CAu)	C(OC[6a])(CC)(H)2	H(CCHO)	C(CHHO)(CAu)	109.2219	0.627	7	109.2219	0.393	7	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OC[6a])(CC)(H)2	H(CCHO)	C(CHHO)(CC)	C(OC[6a])(CC)(H)2	H(CCHO)	C(CHHO)(CC)	109.6159	0.491	73	109.6159	0.241	73	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OC[6a])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	C(OC[6a])(CC)(H)2	H(CCHO)	C(CHHO)(CH)	109.5797	0.574	152	109.5797	0.329	152	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OC[6a])(CC)(H)2	H(CCHO)	C(CHHO)(CI)	C(OC[6a])(CC)(H)2	H(CCHO)	C(CHHO)(CI)	109.3235	0.496	13	109.3235	0.246	13	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OC[6a])(CC)(H)2	H(CCHO)	C(CHHO)(CPt)	C(OC[6a])(CC)(H)2	H(CCHO)	C(CHHO)(CPt)	109.7295	1.383	4	109.7295	1.912	4	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	O-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(OSi)(CC)(H)2	H(CCHO)	C(CHHO)(CC)	C(OSi)(CC)(H)2	H(CCHO)	C(CHHO)(CC)	109.0715	0.376	4	109.0715	0.142	4	109.5613	0.335	284	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	S-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SC[6])(CC)(H)2	H(CCHS)	C(CHHS)(CH)	C(SC[6])(CC)(H)2	H(CCHS)	C(CHHS)(CH)	109.5602	0.699	4	109.5602	0.489	4	109.4006	0.591	9	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	S-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SC[6a])(CC)(H)2	H(CCHS)	C(CHHS)(CAu)	C(SC[6a])(CC)(H)2	H(CCHS)	C(CHHS)(CAu)	108.3200	0.000	1	108.3200	0.000	1	109.4006	0.591	9	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	S-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SC[6a])(CC)(H)2	H(CCHS)	C(CHHS)(CH)	C(SC[6a])(CC)(H)2	H(CCHS)	C(CHHS)(CH)	109.5110	0.804	4	109.5110	0.647	4	109.4006	0.591	9	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	Se-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SeC[5])(CC)(H)2	H(CSeCH)	C(CSeHH)(CH)	C(SeC[5])(CC)(H)2	H(CSeCH)	C(CSeHH)(CH)	109.0610	0.013	2	109.0610	0.000	2	109.6333	0.437	4	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:2:	Se-2:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SeC[6a])(CC)(H)2	H(CSeCH)	C(CSeHH)(CH)	C(SeC[6a])(CC)(H)2	H(CSeCH)	C(CSeHH)(CH)	110.2055	0.042	2	110.2055	0.002	2	109.6333	0.437	4	109.5941	0.854	520	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:3:	C-2:S-2:H-1:H-1:	C-4:	C-4:N-3:	C(CN)(SS)(H)2	H(CCHS)	C(CHHS)(NCH)	C(CN)(SS)(H)2	H(CCHS)	C(CHHS)(NCH)	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	108.3970	0.000	1	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:4:	C-2:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(CC)(CN)(H)2	H(CCCH)	C(CCHH)(CH3)	C(CC)(CN)(H)2	H(CCCH)	C(CCHH)(CH3)	109.0820	0.033	2	109.0820	0.001	2	109.0820	0.001	2	109.0910	0.001	3	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:1:1:	4:	4:4:	C-2:C-2:H-1:H-1:	C-4:	C-4:N-4:	C(CC)(CN)(H)2	H(CCCH)	C(CCHH)(NC3)	C(CC)(CN)(H)2	H(CCCH)	C(CCHH)(NC3)	109.1090	0.000	1	109.1090	0.000	1	109.1090	0.000	1	109.0910	0.001	3	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:2:1:	4:	2:4:	C-2:O-2:O-2:H-1:	C-4:	C-2:C-4:	C(CC)(OC)2(H)	H(CCOO)	C(CC[6a])(CHOO)	C(CC)(OC)2(H)	H(CCOO)	C(CC[6a])(CHOO)	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	109.9230	0.000	1	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:2:2:1:	4:	4:2:	C-2:O-2:O-2:H-1:	C-4:	C-4:C-2:	C(CC)(OC)2(H)	H(CCOO)	C(CHOO)(CC)	C(CC)(OC)2(H)	H(CCOO)	C(CHOO)(CC)	109.0395	2.358	2	109.0395	5.561	2	109.0395	5.561	2	109.0395	5.561	2	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:3:1:1:	4:	3:4:	C-2:S-3:H-1:H-1:	C-4:	C[6]-3:C-4:	C(CC[6])(SReC)(H)2	H(CCHS)	C(C[6]C[6]N[6])(CHHS)	C(CC[6])(SReC)(H)2	H(CCHS)	C(C[6]C[6]N[6])(CHHS)	104.9675	1.080	2	104.9675	1.166	2	104.9675	1.166	2	104.9675	1.166	2	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:4:1:1:	4:	3:4:	C-2:C-4:H-1:H-1:	C-4:	C[5a]-3:C-4:	C(CC[5a])(CHHO)(H)2	H(CCCH)	C(C[5a]C[5a]2)(CCHH)	C(CC[5a])(CHHO)(H)2	H(CCCH)	C(C[5a]C[5a]2)(CCHH)	108.7485	0.028	2	108.7485	0.001	2	108.7485	0.001	2	109.3800	0.455	8	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:4:1:1:	4:	3:4:	C-2:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:	C(CC[6a])(CHHN)(H)2	H(CCCH)	C(C[6a]C[6a]2)(CCHH)	C(CC[6a])(CHHN)(H)2	H(CCCH)	C(C[6a]C[6a]2)(CCHH)	110.2960	0.016	2	110.2960	0.000	2	110.2960	0.000	2	109.3800	0.455	8	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:4:1:1:	4:	3:4:	C-2:C-4:H-1:H-1:	C-4:	N[5]-3:C-4:	C(CN[5])(CCHH)(H)2	H(CCCH)	C(N[5]C[5]2)(CCHH)	C(CN[5])(CCHH)(H)2	H(CCCH)	C(N[5]C[5]2)(CCHH)	109.6330	0.017	2	109.6330	0.000	2	109.2378	0.208	4	109.3800	0.455	8	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:4:1:1:	4:	3:4:	C-2:C-4:H-1:H-1:	C-4:	N[5]-3:C-4:	C(CN[5])(CCHH)(H)2	H(CCCH)	C(N[5]Ga[5,5]C[5])(CCHH)	C(CN[5])(CCHH)(H)2	H(CCCH)	C(N[5]Ga[5,5]C[5])(CCHH)	108.8425	0.013	2	108.8425	0.000	2	109.2378	0.208	4	109.3800	0.455	8	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:4:2:1:	4:	2:4:	O-2:C-4:C-2:H-1:	C-4:	C-2:C-4:	C(OC[6])(CCHH)(CC)(H)	H(CCCO)	C(CC[6a])(CCHO)	C(OC[6])(CCHH)(CC)(H)	H(CCCO)	C(CC[6a])(CCHO)	111.9940	0.000	1	111.9940	0.000	1	111.9940	0.000	1	111.9940	0.000	1	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:4:3:1:	4:	3:4:	C-2:C-4:N-3:H-1:	C-4:	C[6a]-3:C-4:	C(CC[6a])(CHHO)(NNiC)(H)	H(CCCN)	C(C[6a]C[6a]2)(CCHN)	C(CC[6a])(CHHO)(NNiC)(H)	H(CCCN)	C(C[6a]C[6a]2)(CCHN)	96.5881	0.000	1	96.5881	0.000	1	96.5881	0.000	1	96.5881	0.000	1	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	2:4:3:1:	4:	4:4:	C-2:C-4:N-3:H-1:	C-4:	C[6]-4:C-4:	C(CC[6])(CHHO)(NNiC)(H)	H(CCCN)	C(C[6]C[6]2H)(CCHN)	C(CC[6])(CHHO)(NNiC)(H)	H(CCCN)	C(C[6]C[6]2H)(CCHN)	99.3976	0.000	1	99.3976	0.000	1	99.3976	0.000	1	99.3976	0.000	1	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	2:4:	C-3:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CC[6]C)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CC[6]C)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	108.3520	0.007	2	108.3520	0.000	2	108.3520	0.000	2	109.1167	0.521	18	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	2:4:	N-3:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(NCS)(CC)(H)2	H(CCHN)	C(CC[6a])(CHHN)	C(NCS)(CC)(H)2	H(CCHN)	C(CC[6a])(CHHN)	109.2793	0.735	14	109.2793	0.541	14	109.2123	0.502	16	109.1167	0.521	18	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	2:4:	N-3:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(NC[6a]2)(CC)(H)2	H(CCHN)	C(CC[6a])(CHHN)	C(NC[6a]2)(CC)(H)2	H(CCHN)	C(CC[6a])(CHHN)	108.7435	0.057	2	108.7435	0.003	2	109.2123	0.502	16	109.1167	0.521	18	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	3:4:	C[5a]-3:C-2:H-1:H-1:	C-4:	C[5]-3:C-4:	C(C[5a]N[5a]2)(CC[5])(H)2	H(CC[5a]CH)	C(C[5]N[5]2)(CC[5a]HH)	C(C[5a]N[5a]2)(CC[5])(H)2	H(CC[5a]CH)	C(C[5]N[5]2)(CC[5a]HH)	113.2760	0.605	2	113.2760	0.366	2	113.2760	0.366	2	110.3323	12.390	4	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	3:4:	C[6a]-3:C-2:H-1:H-1:	C-4:	C[5]-3:C-4:	C(C[6a]C[6a]2)(CC[5])(H)2	H(CC[6a]CH)	C(C[5]C[5]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(CC[5])(H)2	H(CC[6a]CH)	C(C[5]C[5]O[5])(CC[6a]HH)	107.3885	1.463	2	107.3885	2.140	2	107.3885	2.140	2	110.3323	12.390	4	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:H-1:	C(CCH)(CH)(H)2	H(CCCH)	C(CCHH)(H)	C(CCH)(CH)(H)2	H(CCCH)	C(CCHH)(H)	120.3420	25.053	2	120.3420	627.642	2	120.3420	627.642	2	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CCC)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CCC)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.1451	0.313	12	109.1451	0.098	12	109.0765	2.283	95	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CCH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CCH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.5072	1.626	4	109.5072	2.643	4	109.0765	2.283	95	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CCN)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CCN)(CN)(H)2	H(CCCH)	C(CCHH)(N)	110.4555	9.892	2	110.4555	97.846	2	109.0765	2.283	95	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CCO)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CCO)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.2850	0.017	2	109.2850	0.000	2	109.0765	2.283	95	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[5a]O)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[5a]O)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.1355	0.027	4	109.1355	0.001	4	109.0765	2.283	95	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[6a]O)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[6a]O)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.8403	0.035	3	109.8403	0.001	3	109.0765	2.283	95	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CHH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CHH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	112.5505	0.070	2	112.5505	0.005	2	109.0765	2.283	95	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CNO)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CNO)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.8121	1.228	47	108.8121	1.507	47	109.0765	2.283	95	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CN[6]O)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CN[6]O)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.3585	0.015	4	109.3585	0.000	4	109.0765	2.283	95	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(COO)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(COO)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.8167	0.476	15	108.8167	0.227	15	109.0765	2.283	95	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C[5]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5]C[5]O[5])(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	C(C[5]C[5]O[5])(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	109.4045	0.016	2	109.4045	0.000	2	109.4045	0.000	2	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	H(CC[5a]CH)	C(CC[5a]HH)(N)	C(C[5a]C[5a,6a]C[5a])(CN)(H)2	H(CC[5a]CH)	C(CC[5a]HH)(N)	109.1532	0.268	16	109.1532	0.072	16	109.1180	0.066	27	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5a]C[5a]2)(CN)(H)2	H(CC[5a]CH)	C(CC[5a]HH)(N)	C(C[5a]C[5a]2)(CN)(H)2	H(CC[5a]CH)	C(CC[5a]HH)(N)	108.6075	0.016	2	108.6075	0.000	2	109.1180	0.066	27	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5a]C[5a]N[5a])(CN)(H)2	H(CC[5a]CH)	C(CC[5a]HH)(N)	C(C[5a]C[5a]N[5a])(CN)(H)2	H(CC[5a]CH)	C(CC[5a]HH)(N)	109.1165	0.033	6	109.1165	0.001	6	109.1180	0.066	27	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5a]C[5a]O[5a])(CN)(H)2	H(CC[5a]CH)	C(CC[5a]HH)(N)	C(C[5a]C[5a]O[5a])(CN)(H)2	H(CC[5a]CH)	C(CC[5a]HH)(N)	109.1700	0.000	1	109.1700	0.000	1	109.1180	0.066	27	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C[5a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5a]C[5a]S[5a])(CN)(H)2	H(CC[5a]CH)	C(CC[5a]HH)(N)	C(C[5a]C[5a]S[5a])(CN)(H)2	H(CC[5a]CH)	C(CC[5a]HH)(N)	109.3255	0.016	2	109.3255	0.000	2	109.1180	0.066	27	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6a]C[5a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(N)	C(C[6a]C[5a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(N)	108.6775	0.023	2	108.6775	0.001	2	108.7706	0.916	90	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(N)	C(C[6a]C[6a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(N)	109.1980	0.294	4	109.1980	0.086	4	108.7706	0.916	90	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(N)	C(C[6a]C[6a]2)(CN)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(N)	108.7501	0.997	82	108.7501	0.994	82	108.7706	0.916	90	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6a]N[5a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(N)	C(C[6a]N[5a,6a]C[6a])(CN)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(N)	108.8490	0.037	2	108.8490	0.001	2	108.7706	0.916	90	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(NCC)(CN)(H)2	H(CCHN)	C(CHHN)(N)	C(NCC)(CN)(H)2	H(CCHN)	C(CHHN)(N)	108.4739	0.220	7	108.4739	0.049	7	108.8857	0.474	17	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(NCH)(CN)(H)2	H(CCHN)	C(CHHN)(N)	C(NCH)(CN)(H)2	H(CCHN)	C(CHHN)(N)	108.7482	1.095	4	108.7482	1.199	4	108.8857	0.474	17	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(NCN)(CN)(H)2	H(CCHN)	C(CHHN)(N)	C(NCN)(CN)(H)2	H(CCHN)	C(CHHN)(N)	109.1125	0.122	2	109.1125	0.015	2	108.8857	0.474	17	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(NC[6a]C)(CN)(H)2	H(CCHN)	C(CHHN)(N)	C(NC[6a]C)(CN)(H)2	H(CCHN)	C(CHHN)(N)	109.7890	0.010	2	109.7890	0.000	2	108.8857	0.474	17	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(NC[6a]H)(CN)(H)2	H(CCHN)	C(CHHN)(N)	C(NC[6a]H)(CN)(H)2	H(CCHN)	C(CHHN)(N)	109.4720	0.004	2	109.4720	0.000	2	108.8857	0.474	17	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N[5,6]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(N[5,6]C[5,6]2)(CN)(H)2	H(CN[5,6]CH)	C(CN[5,6]HH)(N)	C(N[5,6]C[5,6]2)(CN)(H)2	H(CN[5,6]CH)	C(CN[5,6]HH)(N)	109.7205	0.029	2	109.7205	0.001	2	109.7205	0.001	2	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(N[5]C[5]2)(CN)(H)2	H(CN[5]CH)	C(CN[5]HH)(N)	C(N[5]C[5]2)(CN)(H)2	H(CN[5]CH)	C(CN[5]HH)(N)	109.5104	0.150	16	109.5104	0.022	16	109.5104	0.022	16	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(N)	C(N[5a]C[5a,6a]N[5a])(CN)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(N)	109.1110	0.102	3	109.1110	0.010	3	109.5433	0.681	10	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(N[5a]C[5a]2)(CN)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(N)	C(N[5a]C[5a]2)(CN)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(N)	109.2205	0.179	2	109.2205	0.032	2	109.5433	0.681	10	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(N[5a]C[5a]N[5a])(CN)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(N)	C(N[5a]C[5a]N[5a])(CN)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(N)	109.4210	0.000	1	109.4210	0.000	1	109.5433	0.681	10	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(N[5a]N[5a]2)(CN)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(N)	C(N[5a]N[5a]2)(CN)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(N)	110.0595	1.186	4	110.0595	1.408	4	109.5433	0.681	10	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(N[6]C[6]2)(CN)(H)2	H(CN[6]CH)	C(CN[6]HH)(N)	C(N[6]C[6]2)(CN)(H)2	H(CN[6]CH)	C(CN[6]HH)(N)	109.0451	0.278	16	109.0451	0.077	16	109.0451	0.077	16	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:1:	S-3:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(SC[6a]O)(CN)(H)2	H(CCHS)	C(CHHS)(N)	C(SC[6a]O)(CN)(H)2	H(CCHS)	C(CHHS)(N)	109.2985	0.009	2	109.2985	0.000	2	109.2985	0.000	2	109.0993	4.352	279	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[3]C)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CC[3]C)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	109.8837	0.039	4	109.8837	0.002	4	108.6209	7.880	8	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CHH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CHH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	107.3580	3.759	4	107.3580	14.132	4	108.6209	7.880	8	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C-3:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(COO)(CN)(H)2	H(CCCH)	C(CCHH)(NPt)	C(COO)(CN)(H)2	H(CCCH)	C(CCHH)(NPt)	110.9295	2.514	2	110.9295	6.319	2	110.9295	6.319	2	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C[5]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,3x6]C[5])(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC)	C(C[5]C[5,3x6]C[5])(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC)	108.7340	0.047	2	108.7340	0.002	2	108.8450	0.038	3	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C[5]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]2)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC[6a])	C(C[5]C[5]2)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC[6a])	109.0670	0.000	1	109.0670	0.000	1	108.8450	0.038	3	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6]C[6]2)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CH)	C(C[6]C[6]2)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CH)	109.0615	0.021	2	109.0615	0.000	2	109.0615	0.000	2	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(CC)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(CC)	109.6748	0.783	13	109.6748	0.613	13	109.3653	0.536	21	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(CC[5a])	C(C[6a]C[6a]2)(CC)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(CC[5a])	109.0010	0.020	2	109.0010	0.000	2	109.3653	0.536	21	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(CC[6a])	C(C[6a]C[6a]2)(CC)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(CC[6a])	108.7777	0.085	4	108.7777	0.007	4	109.3653	0.536	21	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(CSi)	C(C[6a]C[6a]2)(CC)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(CSi)	108.8925	0.005	2	108.8925	0.000	2	109.3653	0.536	21	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	C[6a]-3:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CN)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(NRu)	C(C[6a]C[6a]2)(CN)(H)2	H(CC[6a]CH)	C(CC[6a]HH)(NRu)	109.1377	0.242	27	109.1377	0.059	27	109.1377	0.059	27	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCC)(CC)(H)2	H(CCHN)	C(CHHN)(CAu)	C(NCC)(CC)(H)2	H(CCHN)	C(CHHN)(CAu)	107.9425	0.033	2	107.9425	0.001	2	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCC)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NCC)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	108.9824	1.154	14	108.9824	1.332	14	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.1459	0.292	36	109.1459	0.085	36	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCH)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NCH)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	108.9961	0.758	22	108.9961	0.574	22	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCH)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NCH)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.0865	0.276	21	109.0865	0.076	21	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCS)(CC)(H)2	H(CCHN)	C(CHHN)(CAu)	C(NCS)(CC)(H)2	H(CCHN)	C(CHHN)(CAu)	108.6790	0.051	2	108.6790	0.003	2	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCS)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NCS)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	108.5993	0.277	6	108.5993	0.077	6	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCS)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NCS)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	108.7504	0.153	22	108.7504	0.024	22	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[5]H)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NC[5]H)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.4140	0.044	2	109.4140	0.002	2	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[5a]C)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NC[5a]C)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.5335	0.019	2	109.5335	0.000	2	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[5a]H)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NC[5a]H)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	108.8625	0.045	2	108.8625	0.002	2	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[6]H)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NC[6]H)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.0528	0.155	4	109.0528	0.024	4	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[6]S)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NC[6]S)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	108.5385	0.015	2	108.5385	0.000	2	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[6a]2)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NC[6a]2)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.3832	0.167	5	109.3832	0.028	5	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[6a]C)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NC[6a]C)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	108.9853	0.367	4	108.9853	0.135	4	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[6a]C)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NC[6a]C)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	108.9570	0.212	32	108.9570	0.045	32	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[6a]H)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NC[6a]H)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	110.4045	0.006	2	110.4045	0.000	2	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[6a]H)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NC[6a]H)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.1972	0.703	6	109.1972	0.494	6	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC[6a]S)(CC)(H)2	H(CCHN)	C(CHHN)(CAu)	C(NC[6a]S)(CC)(H)2	H(CCHN)	C(CHHN)(CAu)	108.3725	0.039	2	108.3725	0.002	2	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCoH)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NCoH)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	113.8530	0.276	2	113.8530	0.076	2	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NHS)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NHS)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	109.5500	0.140	4	109.5500	0.020	4	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NNS)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NNS)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	108.9417	0.164	4	108.9417	0.027	4	109.0600	0.507	198	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5]C[5,6]C[5])(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CH)	C(N[5]C[5,6]C[5])(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CH)	110.2374	0.739	8	110.2374	0.547	8	109.5258	1.355	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5]C[5,6a]C[5])(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CH)	C(N[5]C[5,6a]C[5])(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CH)	109.1655	1.209	17	109.1655	1.462	17	109.5258	1.355	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CC)	C(N[5]C[5]2)(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CC)	111.1602	0.921	4	111.1602	0.849	4	109.5258	1.355	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CC[6a])	C(N[5]C[5]2)(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CC[6a])	108.2692	0.283	4	108.2692	0.080	4	109.5258	1.355	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5]C[5]2)(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CH)	C(N[5]C[5]2)(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CH)	109.4852	1.096	22	109.4852	1.202	22	109.5258	1.355	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5]C[5]N[5])(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CC)	C(N[5]C[5]N[5])(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CC)	109.4790	0.079	4	109.4790	0.006	4	109.5258	1.355	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5a]C[5a,6a]2)(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CAu)	C(N[5a]C[5a,6a]2)(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CAu)	109.3300	0.000	1	109.3300	0.000	1	109.1384	0.179	79	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5a]C[5a,6a]2)(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]2)(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	108.7660	0.016	2	108.7660	0.000	2	109.1384	0.179	79	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a,6])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	109.7195	0.182	2	109.7195	0.033	2	109.1384	0.179	79	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CC)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CC)	108.8861	0.179	7	108.8861	0.032	7	109.1384	0.179	79	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	109.1913	0.445	49	109.1913	0.198	49	109.1384	0.179	79	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CAu)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CAu)	109.1410	0.017	2	109.1410	0.000	2	109.1384	0.179	79	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a,6a]N[5a])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	109.0528	0.074	4	109.0528	0.006	4	109.1384	0.179	79	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5a]C[5a]2)(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CC)	C(N[5a]C[5a]2)(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CC)	109.7310	0.625	2	109.7310	0.391	2	109.1384	0.179	79	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5a]C[5a]2)(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a]2)(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	108.8075	0.283	8	108.8075	0.080	8	109.1384	0.179	79	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[5a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5a]C[5a]N[5a])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	C(N[5a]C[5a]N[5a])(CC)(H)2	H(CN[5a]CH)	C(CN[5a]HH)(CH)	109.3210	0.023	2	109.3210	0.001	2	109.1384	0.179	79	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6]C[6,6a]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CC)	C(N[6]C[6,6a]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CC)	108.9545	0.130	4	108.9545	0.017	4	109.0122	0.176	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6]C[6,6a]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CH)	C(N[6]C[6,6a]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CH)	108.4345	0.315	4	108.4345	0.100	4	109.0122	0.176	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6]C[6,6a]C[6,6])(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CH)	C(N[6]C[6,6a]C[6,6])(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CH)	108.9900	0.010	2	108.9900	0.000	2	109.0122	0.176	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6]C[6,6a]C[6])(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CH)	C(N[6]C[6,6a]C[6])(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CH)	109.0637	0.269	14	109.0637	0.073	14	109.0122	0.176	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6]C[6,6a]C[6])(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CI)	C(N[6]C[6,6a]C[6])(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CI)	109.1430	0.000	1	109.1430	0.000	1	109.0122	0.176	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CAu)	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CAu)	109.4205	0.018	2	109.4205	0.000	2	109.0122	0.176	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CC)	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CC)	109.3268	0.552	8	109.3268	0.305	8	109.0122	0.176	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CC[6a])	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CC[6a])	108.6386	0.078	7	108.6386	0.006	7	109.0122	0.176	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CH)	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CH)	109.0720	0.445	17	109.0720	0.198	17	109.0122	0.176	59	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6a]C[6a,6a]2)(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CH)	C(N[6a]C[6a,6a]2)(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CH)	109.1460	1.017	4	109.1460	1.034	4	109.1043	0.199	24	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6a]C[6a,6a]2)(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CPt)	C(N[6a]C[6a,6a]2)(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CPt)	108.6090	0.008	2	108.6090	0.000	2	109.1043	0.199	24	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CC)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CC)	109.3135	0.063	2	109.3135	0.004	2	109.1043	0.199	24	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CH)	109.1322	0.280	12	109.1322	0.078	12	109.1043	0.199	24	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6a]C[6a]2)(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CC[6a])	C(N[6a]C[6a]2)(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CC[6a])	109.0795	0.039	2	109.0795	0.002	2	109.1043	0.199	24	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	N[6a]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[6a]C[6a]2)(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CH)	C(N[6a]C[6a]2)(CC)(H)2	H(CN[6a]CH)	C(CN[6a]HH)(CH)	109.1640	0.018	2	109.1640	0.000	2	109.1043	0.199	24	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	O[5]-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(O[5]B[5]C[5])(CC)(H)2	H(CO[5]CH)	C(CO[5]HH)(CH)	C(O[5]B[5]C[5])(CC)(H)2	H(CO[5]CH)	C(CO[5]HH)(CH)	109.6500	0.033	2	109.6500	0.001	2	109.6500	0.001	2	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	S-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SCC)(CC)(H)2	H(CCHS)	C(CHHS)(CC)	C(SCC)(CC)(H)2	H(CCHS)	C(CHHS)(CC)	109.9200	0.380	4	109.9200	0.144	4	109.5326	0.284	8	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	S-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SC[6a]O)(CC)(H)2	H(CCHS)	C(CHHS)(CH)	C(SC[6a]O)(CC)(H)2	H(CCHS)	C(CHHS)(CH)	108.8485	0.019	2	108.8485	0.000	2	109.5326	0.284	8	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:2:	S-3:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SFe2)(CC)(H)2	H(CCHS)	C(CHHS)(CH)	C(SFe2)(CC)(H)2	H(CCHS)	C(CHHS)(CH)	109.4420	0.033	2	109.4420	0.001	2	109.5326	0.284	8	109.1514	0.622	492	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:4:	N-3:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(NCuC)(CC)(H)2	H(CCHN)	C(CHHN)2	C(NCuC)(CC)(H)2	H(CCHN)	C(CHHN)2	118.4990	19.585	2	118.4990	383.590	2	118.4990	383.590	2	118.3373	132.334	4	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:1:1:	4:	4:4:	N[6]-3:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CCHH)	C(N[6]C[6]2)(CC)(H)2	H(CN[6]CH)	C(CN[6]HH)(CCHH)	118.1755	3.648	2	118.1755	13.308	2	118.1755	13.308	2	118.3373	132.334	4	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	2:4:	N-3:C-2:C-2:H-1:	C-4:	C-2:C-4:	C(NCC)(CC)2(H)	H(CCCN)	C(CC[6a])(CCHN)	C(NCC)(CC)2(H)	H(CCCN)	C(CC[6a])(CCHN)	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	106.4920	0.000	1	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:1:	C-3:C-2:O-2:H-1:	C-4:	C-4:N-1:	C(CNO)(CN)(OH)(H)	H(CCCO)	C(CCHO)(N)	C(CNO)(CN)(OH)(H)	H(CCCO)	C(CCHO)(N)	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	107.6152	2.295	33	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:1:	C[6]-3:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(C[6]C[6]2)(CN)2(H)	H(CC[6]CC)	C(CC[6]CH)(N)	C(C[6]C[6]2)(CN)2(H)	H(CC[6]CC)	C(CC[6]CH)(N)	105.3550	0.031	2	105.3550	0.001	2	105.3550	0.001	2	107.6152	2.295	33	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:1:	C[6a]-3:C-2:C-2:H-1:	C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CH)2(H)	H(CC[6a]CC)	C(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH)2(H)	H(CC[6a]CC)	C(CC[6a]CH)(H)	104.3015	0.070	2	104.3015	0.005	2	104.3015	0.005	2	107.6152	2.295	33	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:1:	C[6a]-3:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)2(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CN)2(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	107.4820	1.123	17	107.4820	1.261	17	107.4820	1.261	17	107.6152	2.295	33	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:1:	C[6a]-3:C-2:N-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(NP)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(CN)(NP)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	107.3430	0.000	1	107.3430	0.000	1	107.3430	0.000	1	107.6152	2.295	33	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(OC)(H)	H(CC[6a]CO)	C(CC[6a]HO)(N)	C(C[6a]C[6a]2)(CN)(OC)(H)	H(CC[6a]CO)	C(CC[6a]HO)(N)	108.8844	0.617	7	108.8844	0.380	7	108.9447	0.355	8	107.6152	2.295	33	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:1:	C[6a]-3:C-2:O-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CN)(OH)(H)	H(CC[6a]CO)	C(CC[6a]HO)(N)	C(C[6a]C[6a]2)(CN)(OH)(H)	H(CC[6a]CO)	C(CC[6a]HO)(N)	109.3670	0.000	1	109.3670	0.000	1	108.9447	0.355	8	107.6152	2.295	33	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:1:	C[6a]-3:O-2:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(OC[6])(CN)(H)	H(CC[6a]CO)	C(CC[6a]HO)(N)	C(C[6a]C[6a]2)(OC[6])(CN)(H)	H(CC[6a]CO)	C(CC[6a]HO)(N)	108.8760	0.785	2	108.8760	0.616	2	108.8760	0.616	2	107.6152	2.295	33	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OC)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CC)	C(C[6a]C[6a]2)(CC)(OC)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CC)	108.5000	0.000	1	108.5000	0.000	1	108.7768	0.334	12	108.3681	1.422	14	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OC)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CH)	C(C[6a]C[6a]2)(CC)(OC)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CH)	109.0333	0.560	3	109.0333	0.313	3	108.7768	0.334	12	108.3681	1.422	14	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OH)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CC)	C(C[6a]C[6a]2)(CC)(OH)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CC)	109.0410	0.000	1	109.0410	0.000	1	108.7768	0.334	12	108.3681	1.422	14	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OH)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CC[6a])	C(C[6a]C[6a]2)(CC)(OH)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CC[6a])	109.6170	0.000	1	109.6170	0.000	1	108.7768	0.334	12	108.3681	1.422	14	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OH)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CN[5a])	C(C[6a]C[6a]2)(CC)(OH)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CN[5a])	108.3715	1.225	2	108.3715	1.502	2	108.7768	0.334	12	108.3681	1.422	14	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:2:	C[6a]-3:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(OH)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CSi)	C(C[6a]C[6a]2)(CC)(OH)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CSi)	108.5803	0.052	4	108.5803	0.003	4	108.7768	0.334	12	108.3681	1.422	14	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:2:	C[6a]-3:C-2:S-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC)(SC)(H)	H(CC[6a]CS)	C(CC[6a]HS)(CC[6a])	C(C[6a]C[6a]2)(CC)(SC)(H)	H(CC[6a]CS)	C(CC[6a]HS)(CC[6a])	105.2890	0.000	1	105.2890	0.000	1	105.2890	0.000	1	108.3681	1.422	14	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:2:2:1:	4:	4:2:	N-3:C-2:C-2:H-1:	C-4:	C-4:C-2:	C(NCC)(CC)2(H)	H(CCCN)	C(CCHN)(CSi)	C(NCC)(CC)2(H)	H(CCCN)	C(CCHN)(CSi)	106.5420	0.000	1	106.5420	0.000	1	106.5420	0.000	1	108.3681	1.422	14	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C-3:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(CNO)(CNS)(CN)(H)	H(CC3)	C(CCCH)(N)	C(CNO)(CNS)(CN)(H)	H(CC3)	C(CCCH)(N)	109.1440	0.815	6	109.1440	0.665	6	109.6018	0.957	9	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C-3:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(CNO)2(CN)(H)	H(CC3)	C(CCCH)(N)	C(CNO)2(CN)(H)	H(CC3)	C(CCCH)(N)	110.5173	0.529	3	110.5173	0.280	3	109.6018	0.957	9	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[5a]-3:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[5a]C[5a]2)(CNO)(CN)(H)	H(CC[5a]CC)	C(CC[5a]CH)(N)	C(C[5a]C[5a]2)(CNO)(CN)(H)	H(CC[5a]CC)	C(CC[5a]CH)(N)	105.9450	0.276	2	105.9450	0.076	2	105.9450	0.076	2	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[5a]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	H(CC[5a]C[6a]C)	C(CC[5a]C[6a]H)(N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)(H)	H(CC[5a]C[6a]C)	C(CC[5a]C[6a]H)(N)	106.3350	0.552	2	106.3350	0.304	2	106.3350	0.304	2	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6]-3:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6]C[6]2)(CNO)(CN)(H)	H(CC[6]CC)	C(CC[6]CH)(N)	C(C[6]C[6]2)(CNO)(CN)(H)	H(CC[6]CC)	C(CC[6]CH)(N)	108.5500	0.000	1	108.5500	0.000	1	108.1380	0.339	2	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6]-3:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6]C[6]2)(CN[5]O)(CN)(H)	H(CC[6]CC)	C(CC[6]CH)(N)	C(C[6]C[6]2)(CN[5]O)(CN)(H)	H(CC[6]CC)	C(CC[6]CH)(N)	107.7260	0.000	1	107.7260	0.000	1	108.1380	0.339	2	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:C-3:C-2:H-1:	C-4:	C-4:H-1:	C(C[6a]C[6a]2)(CHH)(CH)(H)	H(CC[6a]CC)	C(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CHH)(CH)(H)	H(CC[6a]CC)	C(CC[6a]CH)(H)	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(CNO)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a,6a]C[6a])(CNO)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	106.9170	0.000	1	106.9170	0.000	1	107.9640	2.192	2	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCO)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCO)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	109.0110	0.000	1	109.0110	0.000	1	107.9640	2.192	2	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)2(CN)(H)	H(CC[6a]2C)	C(CC[6a]2H)(N)	C(C[6a]C[6a]2)2(CN)(H)	H(CC[6a]2C)	C(CC[6a]2H)(N)	107.1580	0.000	1	107.1580	0.000	1	107.7365	0.669	2	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	H(CC[6a]2C)	C(CC[6a]2H)(N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CN)(H)	H(CC[6a]2C)	C(CC[6a]2H)(N)	108.3150	0.000	1	108.3150	0.000	1	107.7365	0.669	2	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	C(C[6a]C[6a,6a]C[6a])(NCH)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	107.4537	0.103	3	107.4537	0.011	3	107.4393	3.943	31	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NCC)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NCC)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	106.8417	0.276	3	106.8417	0.076	3	107.4393	3.943	31	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NCH)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NCH)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	106.9480	1.632	10	106.9480	2.663	10	107.4393	3.943	31	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NCO)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NCO)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	107.8390	0.000	1	107.8390	0.000	1	107.4393	3.943	31	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NC[5]H)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NC[5]H)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	107.5555	0.510	2	107.5555	0.260	2	107.4393	3.943	31	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NC[6a]H)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	107.9198	2.952	11	107.9198	8.713	11	107.4393	3.943	31	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(NHS)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	C(C[6a]C[6a]2)(NHS)(CN)(H)	H(CC[6a]CN)	C(CC[6a]HN)(N)	108.1840	0.000	1	108.1840	0.000	1	107.4393	3.943	31	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:N-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(N)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(N)	107.4700	0.243	4	107.4700	0.059	4	107.4222	0.061	6	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:N-1:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(N)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(N)	107.5510	0.000	1	107.5510	0.000	1	107.4222	0.061	6	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	N[5]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:N-1:	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(N)	C(N[5]Si[5,5]N[5])(C[6a]C[6a]2)(CN)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(N)	107.1020	0.000	1	107.1020	0.000	1	107.4222	0.061	6	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:1:	P-3:P-3:C-2:H-1:	C-4:	C-4:N-1:	C(PC[6a]2)2(CN)(H)	H(CCPP)	C(CHPP)(N)	C(PC[6a]2)2(CN)(H)	H(CCPP)	C(CHPP)(N)	108.9870	0.269	2	108.9870	0.072	2	108.9870	0.072	2	107.9895	5.440	59	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[5a]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	H(CC[5a]C[6a]C)	C(CC[5a]C[6a]H)(CC[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(CC)(H)	H(CC[5a]C[6a]C)	C(CC[5a]C[6a]H)(CC[6a])	106.8420	0.000	1	106.8420	0.000	1	106.6803	0.164	3	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[5a]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(H)	H(CC[5a]C[6a]C)	C(CC[5a]C[6a]H)(CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(H)	H(CC[5a]C[6a]C)	C(CC[5a]C[6a]H)(CC)	106.5995	0.538	2	106.5995	0.290	2	106.6803	0.164	3	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[5a]-3:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[5a]C[5a]S[5a])(NCC)(CC)(H)	H(CC[5a]CN)	C(CC[5a]HN)(CC[6a])	C(C[5a]C[5a]S[5a])(NCC)(CC)(H)	H(CC[5a]CN)	C(CC[5a]HN)(CC[6a])	106.2520	0.000	1	106.2520	0.000	1	106.2520	0.000	1	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(CC[6a])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(CC[6a])	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:C-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a,6a]C[6a])(CCH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CH)	C(C[6a]C[6a,6a]C[6a])(CCH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CH)	108.2080	0.000	1	108.2080	0.000	1	108.2080	0.000	1	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(H)	H(CC[6a]2C)	C(CC[6a]2H)(CB)	C(C[6a]C[6a]2)2(CC)(H)	H(CC[6a]2C)	C(CC[6a]2H)(CB)	107.7970	0.000	1	107.7970	0.000	1	109.2175	6.604	4	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(H)	H(CC[6a]2C)	C(CC[6a]2H)(CC[6a])	C(C[6a]C[6a]2)2(CC)(H)	H(CC[6a]2C)	C(CC[6a]2H)(CC[6a])	106.3150	0.000	1	106.3150	0.000	1	109.2175	6.604	4	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)2(CC)(H)	H(CC[6a]2C)	C(CC[6a]2H)(CH)	C(C[6a]C[6a]2)2(CC)(H)	H(CC[6a]2C)	C(CC[6a]2H)(CH)	111.3790	0.161	2	111.3790	0.026	2	109.2175	6.604	4	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:C[6a]-3:C-2:H-1:	C-4:	C-4:N-2:	C(C[6a]C[6a]2)2(CN)(H)	H(CC[6a]2C)	C(CC[6a]2H)(NPt)	C(C[6a]C[6a]2)2(CN)(H)	H(CC[6a]2C)	C(CC[6a]2H)(NPt)	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NCC)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CH)	C(C[6a]C[6a]2)(NCC)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CH)	106.6900	0.000	1	106.6900	0.000	1	107.1658	2.229	13	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NCO)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CC[6a])	C(C[6a]C[6a]2)(NCO)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CC[6a])	110.7760	0.000	1	110.7760	0.000	1	107.1658	2.229	13	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NCS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CC)	C(C[6a]C[6a]2)(NCS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CC)	106.8570	0.037	2	106.8570	0.001	2	107.1658	2.229	13	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NCS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CC[6a])	C(C[6a]C[6a]2)(NCS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CC[6a])	107.4050	0.000	1	107.4050	0.000	1	107.1658	2.229	13	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NC[6a]C)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CH)	C(C[6a]C[6a]2)(NC[6a]C)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CH)	107.5190	0.000	1	107.5190	0.000	1	107.1658	2.229	13	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NHS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CC)	C(C[6a]C[6a]2)(NHS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CC)	106.9090	0.000	1	106.9090	0.000	1	107.1658	2.229	13	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NHS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CN)	C(C[6a]C[6a]2)(NHS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CN)	109.3650	0.000	1	109.3650	0.000	1	107.1658	2.229	13	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NHS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CN[5])	C(C[6a]C[6a]2)(NHS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CN[5])	106.9290	0.687	2	106.9290	0.472	2	107.1658	2.229	13	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(NSS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CH)	C(C[6a]C[6a]2)(NSS)(CC)(H)	H(CC[6a]CN)	C(CC[6a]HN)(CH)	105.6397	0.565	3	105.6397	0.319	3	107.1658	2.229	13	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N[5]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(CC)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(CC)	106.6780	0.000	1	106.6780	0.000	1	106.8460	0.056	2	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N[5]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(CC[6a])	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	H(CC[6a]N[5]C)	C(CC[6a]N[5]H)(CC[6a])	107.0140	0.000	1	107.0140	0.000	1	106.8460	0.056	2	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N[5a]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	H(CC[6a]N[5a]C)	C(CC[6a]N[5a]H)(CC[6a])	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC)(H)	H(CC[6a]N[5a]C)	C(CC[6a]N[5a]H)(CC[6a])	107.7135	0.074	2	107.7135	0.006	2	107.7135	0.006	2	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:N[6]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	H(CC[6a]N[6]C)	C(CC[6a]N[6]H)(CC[6a])	C(C[6a]C[6a]2)(N[6]C[6]2)(CC)(H)	H(CC[6a]N[6]C)	C(CC[6a]N[6]H)(CC[6a])	104.2500	3.534	2	104.2500	12.490	2	104.2500	12.490	2	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:3:2:1:	4:	4:2:	C[6a]-3:O-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(OZn2)(CC)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CC[6a])	C(C[6a]C[6a]2)(OZn2)(CC)(H)	H(CC[6a]CO)	C(CC[6a]HO)(CC[6a])	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	107.2300	3.265	31	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(CC[6a]O)(CCHH)(CN)(H)	H(CC3)	C(CCCH)(N)	C(CC[6a]O)(CCHH)(CN)(H)	H(CC3)	C(CCCH)(N)	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[5a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	H(CC[5a]CC)	C(CC[5a]CH)(N)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	H(CC[5a]CC)	C(CC[5a]CH)(N)	107.9000	0.000	1	107.9000	0.000	1	107.8353	0.050	4	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[5a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	H(CC[5a]CC)	C(CC[5a]CH)(N)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	H(CC[5a]CC)	C(CC[5a]CH)(N)	107.9690	0.023	2	107.9690	0.001	2	107.8353	0.050	4	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[5a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	H(CC[5a]CC)	C(CC[5a]CH)(N)	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	H(CC[5a]CC)	C(CC[5a]CH)(N)	107.5030	0.000	1	107.5030	0.000	1	107.8353	0.050	4	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	107.4820	0.000	1	107.4820	0.000	1	107.6067	1.387	29	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	107.6961	1.146	14	107.6961	1.314	14	107.6067	1.387	29	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CCHO)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	106.5460	0.000	1	106.5460	0.000	1	107.6067	1.387	29	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	108.8000	0.000	1	108.8000	0.000	1	107.6067	1.387	29	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	107.4290	0.041	2	107.4290	0.002	2	107.6067	1.387	29	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	105.6635	2.625	2	105.6635	6.893	2	107.6067	1.387	29	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	107.6750	0.000	1	107.6750	0.000	1	107.6067	1.387	29	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	108.2898	0.261	6	108.2898	0.068	6	107.6067	1.387	29	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CH3)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CH3)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(N)	106.4200	0.000	1	106.4200	0.000	1	107.6067	1.387	29	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C[5]-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CN)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(N)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CN)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(N)	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:C[6]-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(N)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CN)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(N)	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	C[6a]-3:P[6]-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CN)(H)	H(CC[6a]P[6]C)	C(CC[6a]P[6]H)(N)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CN)(H)	H(CC[6a]P[6]C)	C(CC[6a]P[6]H)(N)	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	N-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(NC[6a]C)(CCCH)(CN)(H)	H(CCCN)	C(CCHN)(N)	C(NC[6a]C)(CCCH)(CN)(H)	H(CCCN)	C(CCHN)(N)	107.0880	0.000	1	107.0880	0.000	1	108.1185	2.124	2	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	N-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(NC[6a]H)(CCHH)(CN)(H)	H(CCCN)	C(CCHN)(N)	C(NC[6a]H)(CCHH)(CN)(H)	H(CCCN)	C(CCHN)(N)	109.1490	0.000	1	109.1490	0.000	1	108.1185	2.124	2	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	N[5]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(N[5]C[5]2)(CH3)(CN)(H)	H(CN[5]CC)	C(CN[5]CH)(N)	C(N[5]C[5]2)(CH3)(CN)(H)	H(CN[5]CC)	C(CN[5]CH)(N)	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:1:	N[6]-3:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(N[6]C[6]2)(CCCH)(CN)(H)	H(CN[6]CC)	C(CN[6]CH)(N)	C(N[6]C[6]2)(CCCH)(CN)(H)	H(CN[6]CC)	C(CN[6]CH)(N)	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	107.8019	1.322	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[5a]-3:C[6]-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	H(CC[5a]C[6]C)	C(CC[5a]C[6]H)(CH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]C[6]H)(CC)(H)	H(CC[5a]C[6]C)	C(CC[5a]C[6]H)(CH)	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CSi)	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CSi)	107.2100	0.000	1	107.2100	0.000	1	107.5048	3.356	17	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC3)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CC[6a])	C(C[6a]C[6a]2)(CC3)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CC[6a])	106.3843	0.170	3	106.3843	0.029	3	107.5048	3.356	17	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCCH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CH)	C(C[6a]C[6a]2)(CCCH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CH)	107.8340	0.000	1	107.8340	0.000	1	107.5048	3.356	17	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CC)	104.9520	0.000	1	104.9520	0.000	1	107.5048	3.356	17	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CC[6a])	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CC[6a])	107.9280	0.870	3	107.9280	0.757	3	107.5048	3.356	17	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CRu)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CRu)	107.4290	0.000	1	107.4290	0.000	1	107.5048	3.356	17	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CSi)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CSi)	107.6770	0.215	2	107.6770	0.046	2	107.5048	3.356	17	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CC[3])	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CC[3])	113.7580	0.000	1	113.7580	0.000	1	107.5048	3.356	17	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CC)	107.1640	0.946	2	107.1640	0.895	2	107.5048	3.356	17	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CH)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	H(CC[6a]CC)	C(CC[6a]CH)(CH)	106.8895	0.101	2	106.8895	0.010	2	107.5048	3.356	17	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(NRu)	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	H(CC[6a]CC)	C(CC[6a]CH)(NRu)	102.4320	0.000	1	102.4320	0.000	1	102.4320	0.000	1	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C[5]-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2P)(CC)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(CH)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2P)(CC)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(CH)	108.1180	0.000	1	108.1180	0.000	1	107.9070	0.089	2	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C[5]-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(CC[6a])	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(CC[6a])	107.6960	0.000	1	107.6960	0.000	1	107.9070	0.089	2	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C[6]-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(CH)	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(CH)	106.6040	0.000	1	106.6040	0.000	1	106.6556	0.337	5	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C[6]-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(CC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(CC)	106.0690	0.000	1	106.0690	0.000	1	106.6556	0.337	5	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C[6]-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(CH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(CH)	107.0225	0.849	2	107.0225	0.721	2	106.6556	0.337	5	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:C[6]-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(CH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(CC)(H)	H(CC[6a]C[6]C)	C(CC[6a]C[6]H)(CH)	106.5600	0.000	1	106.5600	0.000	1	106.6556	0.337	5	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	C[6a]-3:P-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6a]C[6a]2)(PC[6a]3)(CC)(H)	H(CC[6a]CP)	C(CC[6a]HP)(CRu)	C(C[6a]C[6a]2)(PC[6a]3)(CC)(H)	H(CC[6a]CP)	C(CC[6a]HP)(CRu)	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	N[6,6]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	H(CN[6,6]CC)	C(CN[6,6]CH)(CH)	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	H(CN[6,6]CC)	C(CN[6,6]CH)(CH)	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	3:4:2:1:	4:	4:2:	N[6a]-3:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(N[6a]C[6a]2)(CCHH)(CC)(H)	H(CN[6a]CC)	C(CN[6a]CH)(CH)	C(N[6a]C[6a]2)(CCHH)(CC)(H)	H(CN[6a]CC)	C(CN[6a]CH)(CH)	107.7310	0.000	1	107.7310	0.000	1	107.7310	0.000	1	107.1945	2.958	29	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CC3)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CC3)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	107.7240	1.336	4	107.7240	1.784	4	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CCCH)(CC)(H)2	H(CCCH)	C(CC[5a])(CCHH)	C(CCCH)(CC)(H)2	H(CCCH)	C(CC[5a])(CCHH)	109.5230	0.006	2	109.5230	0.000	2	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CCCH)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CCCH)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	109.4055	0.352	4	109.4055	0.124	4	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[5])(CCHH)	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[5])(CCHH)	108.7155	0.008	2	108.7155	0.000	2	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[5a])(CCHH)	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[5a])(CCHH)	109.2057	0.190	12	109.2057	0.036	12	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[6])(CCHH)	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[6])(CCHH)	109.3931	0.242	9	109.3931	0.059	9	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CCHH)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	108.9515	7.131	46	108.9515	50.849	46	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CCHN)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CCHN)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	109.2437	0.703	3	109.2437	0.494	3	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CCHS)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CCHS)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	109.4570	0.033	2	109.4570	0.001	2	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CC[6]HH)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CC[6]HH)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	109.1176	0.205	8	109.1176	0.042	8	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CC[6a]HO)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CC[6a]HO)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	110.1557	0.965	4	110.1557	0.931	4	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CH3)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CH3)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	108.9170	0.038	2	108.9170	0.001	2	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CHHN)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CHHN)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	109.3060	0.042	2	109.3060	0.002	2	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CHHO)(CC)(H)2	H(CCCH)	C(CC[5])(CCHH)	C(CHHO)(CC)(H)2	H(CCCH)	C(CC[5])(CCHH)	108.7150	0.027	2	108.7150	0.001	2	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	2:4:	C-4:C-2:H-1:H-1:	C-4:	C-2:C-4:	C(CHHO)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	C(CHHO)(CC)(H)2	H(CCCH)	C(CC[6a])(CCHH)	109.3762	0.355	10	109.3762	0.126	10	109.1037	20.869	112	109.1037	20.869	112	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	3:4:	C-4:C-2:H-1:H-1:	C-4:	C[6a]-3:C-4:	C(CC[6a]HH)(CC[6a])(H)2	H(CCCH)	C(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(CC[6a])(H)2	H(CCCH)	C(C[6a]C[6a]2)(CCHH)	108.1615	0.332	2	108.1615	0.110	2	108.1615	0.110	2	108.1615	0.110	2	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	B[5a]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(B[5a]N[5a,6a]2C[5])(CN)(H)2	H(CB[5a]CH)	C(CB[5a]HH)(N)	C(B[5a]N[5a,6a]2C[5])(CN)(H)2	H(CB[5a]CH)	C(CB[5a]HH)(N)	109.1140	0.007	2	109.1140	0.000	2	109.1140	0.000	2	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:Cl-1:H-1:	C-4:	C-4:N-1:	C(CCHH)(CN)(Cl)(H)	H(CClCC)	C(CClCH)(N)	C(CCHH)(CN)(Cl)(H)	H(CClCC)	C(CClCH)(N)	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:F-1:H-1:	C-4:	C-4:N-1:	C(CCHH)(CN)(F)(H)	H(CCCF)	C(CCFH)(N)	C(CCHH)(CN)(F)(H)	H(CCCF)	C(CCFH)(N)	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:H-1:	C(CCHH)(CH)(H)2	H(CCCH)	C(CCHH)(H)	C(CCHH)(CH)(H)2	H(CCCH)	C(CCHH)(H)	111.9436	7.527	10	111.9436	56.653	10	109.6315	55.386	16	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:H-1:	C(CHHN)(CH)(H)2	H(CCCH)	C(CCHH)(H)	C(CHHN)(CH)(H)2	H(CCCH)	C(CCHH)(H)	103.5930	3.906	2	103.5930	15.257	2	109.6315	55.386	16	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:H-1:	C(CHHO)(CH)(H)2	H(CCCH)	C(CCHH)(H)	C(CHHO)(CH)(H)2	H(CCCH)	C(CCHH)(H)	109.7575	8.581	2	109.7575	73.629	2	109.6315	55.386	16	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:H-1:	C(CInHH)(CH)(H)2	H(CCCH)	C(CCHH)(H)	C(CInHH)(CH)(H)2	H(CCCH)	C(CCHH)(H)	103.9835	6.466	2	103.9835	41.816	2	109.6315	55.386	16	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC3)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC3)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.4581	0.492	8	108.4581	0.242	8	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CCCH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CCCH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.2025	0.025	2	109.2025	0.001	2	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.9679	0.955	158	108.9679	0.912	158	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CCHN)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CCHN)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.2855	0.206	4	109.2855	0.042	4	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CCHO)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CCHO)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.5509	2.837	14	109.5509	8.047	14	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[3,3,5,3x6]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[3,3,5,3x6]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.3915	0.077	4	109.3915	0.006	4	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[3]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[3]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.9890	0.011	2	108.9890	0.000	2	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[5,5]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[5,5]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.3445	0.056	2	109.3445	0.003	2	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[5]CC)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[5]CC)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.0485	0.186	4	109.0485	0.035	4	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[5]CH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[5]CH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.9710	0.070	4	108.9710	0.005	4	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[5]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[5]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.0656	0.466	20	109.0656	0.217	20	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[5a]CC)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[5a]CC)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.7613	0.115	3	108.7613	0.013	3	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[5a]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[5a]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.2675	0.009	2	109.2675	0.000	2	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[6,6]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[6,6]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.7220	0.004	2	109.7220	0.000	2	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.0333	1.248	28	109.0333	1.559	28	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[6a]2H)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[6a]2H)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.0790	0.037	2	109.0790	0.001	2	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[6a]CH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[6a]CH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.1306	0.217	9	109.1306	0.047	9	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[6a]CN)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[6a]CN)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.3965	0.083	2	109.3965	0.007	2	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[6a]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[6a]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.1396	0.409	8	109.1396	0.167	8	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CC[6a]HO)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CC[6a]HO)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.4895	0.019	2	109.4895	0.000	2	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CCoHH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CCoHH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.0187	0.164	8	109.0187	0.027	8	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.4983	1.689	30	109.4983	2.853	30	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CHHN)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CHHN)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.2197	0.547	89	109.2197	0.300	89	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CHHP)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CHHP)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.1827	0.775	34	109.1827	0.601	34	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CHHS)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CHHS)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.0516	0.744	71	109.0516	0.553	71	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CHNN)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CHNN)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.5570	0.011	2	109.5570	0.000	2	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CN[5]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CN[5]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.1595	0.275	13	109.1595	0.076	13	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CN[5a]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CN[5a]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.6485	1.018	15	108.6485	1.035	15	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CN[6]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CN[6]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.9130	0.013	2	109.9130	0.000	2	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CN[6a]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CN[6a]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.2930	1.805	8	108.2930	3.258	8	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CP[4]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CP[4]HH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.6302	0.722	4	108.6302	0.521	4	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CSiHH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CSiHH)(CN)(H)2	H(CCCH)	C(CCHH)(N)	109.1460	0.154	7	109.1460	0.024	7	109.0853	0.950	563	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C-4:C-2:H-1:H-1:	C-4:	C-4:O-1:	C(CH3)(CO)(H)2	H(CCCH)	C(CCHH)(O)	C(CH3)(CO)(H)2	H(CCCH)	C(CCHH)(O)	110.2925	0.016	2	110.2925	0.000	2	110.2925	0.000	2	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5,5,6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CN)(H)2	H(CC[5,5,6]CH)	C(CC[5,5,6]HH)(N)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CN)(H)2	H(CC[5,5,6]CH)	C(CC[5,5,6]HH)(N)	109.4645	0.043	2	109.4645	0.002	2	109.4645	0.002	2	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5,5]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5,5]C[5,6a]N[5,5]C[5])(CN)(H)2	H(CC[5,5]CH)	C(CC[5,5]HH)(N)	C(C[5,5]C[5,6a]N[5,5]C[5])(CN)(H)2	H(CC[5,5]CH)	C(CC[5,5]HH)(N)	109.3217	0.019	3	109.3217	0.000	3	109.3217	0.000	3	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5,6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5,6]C[5,6]C[6]N[5])(CN)(H)2	H(CC[5,6]CH)	C(CC[5,6]HH)(N)	C(C[5,6]C[5,6]C[6]N[5])(CN)(H)2	H(CC[5,6]CH)	C(CC[5,6]HH)(N)	109.0505	0.019	2	109.0505	0.000	2	108.9993	0.008	3	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5,6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5,6]O[5,6]C[6]O[5])(CN)(H)2	H(CC[5,6]CH)	C(CC[5,6]HH)(N)	C(C[5,6]O[5,6]C[6]O[5])(CN)(H)2	H(CC[5,6]CH)	C(CC[5,6]HH)(N)	108.8970	0.000	1	108.8970	0.000	1	108.9993	0.008	3	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:H-1:	C(C[5]C[5]O[5]H)(CH)(H)2	H(CC[5]CH)	C(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(CH)(H)2	H(CC[5]CH)	C(CC[5]HH)(H)	109.3910	0.284	2	109.3910	0.081	2	109.3910	0.081	2	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5]C[5,6a]C[5]C)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	C(C[5]C[5,6a]C[5]C)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	108.8850	0.017	2	108.8850	0.000	2	109.0883	0.076	23	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5]C[5,6a]C[5]O)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	C(C[5]C[5,6a]C[5]O)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	108.9213	0.167	3	108.9213	0.028	3	109.0883	0.076	23	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5]C[5,6a]N[5,5]H)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	C(C[5]C[5,6a]N[5,5]H)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	109.2500	0.044	2	109.2500	0.002	2	109.0883	0.076	23	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5]C[5,6a]N[5]H)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	C(C[5]C[5,6a]N[5]H)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	109.1935	0.008	2	109.1935	0.000	2	109.0883	0.076	23	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5]C[5]2C)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	C(C[5]C[5]2C)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	108.4030	0.021	2	108.4030	0.000	2	109.0883	0.076	23	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5]C[5]2Fe)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	C(C[5]C[5]2Fe)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	109.4865	0.005	2	109.4865	0.000	2	109.0883	0.076	23	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5]C[5]2H)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	C(C[5]C[5]2H)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	109.1565	0.012	2	109.1565	0.000	2	109.0883	0.076	23	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5]C[5]O[5]H)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	C(C[5]C[5]O[5]H)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	109.2167	0.033	6	109.2167	0.001	6	109.0883	0.076	23	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[5]C[5]O[5]S)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	C(C[5]C[5]O[5]S)(CN)(H)2	H(CC[5]CH)	C(CC[5]HH)(N)	109.1095	0.029	2	109.1095	0.001	2	109.0883	0.076	23	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6,6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6,6]C[6,6]C[6]2)(CN)(H)2	H(CC[6,6]CH)	C(CC[6,6]HH)(N)	C(C[6,6]C[6,6]C[6]2)(CN)(H)2	H(CC[6,6]CH)	C(CC[6,6]HH)(N)	109.2375	0.037	2	109.2375	0.001	2	109.2375	0.001	2	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:C-1:	C(C[6]C[5,6]C[6]C)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(C)	C(C[6]C[5,6]C[6]C)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(C)	108.6265	0.043	2	108.6265	0.002	2	108.6265	0.002	2	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6,6]C[6]C)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6,6]C[6]C)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	108.8605	0.049	2	108.8605	0.002	2	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6,6]C[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6,6]C[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	108.4975	0.470	19	108.4975	0.221	19	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6,6a]C[6]C)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6,6a]C[6]C)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	109.1055	0.047	10	109.1055	0.002	10	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6,6a]C[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6,6a]C[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	109.0566	0.051	8	109.0566	0.003	8	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6,6a]N[5,6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6,6a]N[5,6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	109.2523	0.235	3	109.2523	0.055	3	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6,6a]N[6]C)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6,6a]N[6]C)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	108.9082	0.041	4	108.9082	0.002	4	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6,6a]N[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6,6a]N[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	109.1900	0.018	2	109.1900	0.000	2	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6]2H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6]2H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	108.2540	1.290	8	108.2540	1.665	8	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6]N[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6]N[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	109.3050	0.020	2	109.3050	0.000	2	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6]O[6]C)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6]O[6]C)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	109.0520	0.016	2	109.0520	0.000	2	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]C[6]O[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]C[6]O[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	108.9382	0.049	4	108.9382	0.002	4	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(C[6]N[5,6]C[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	C(C[6]N[5,6]C[6]H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(N)	108.8312	0.978	12	108.8312	0.956	12	108.8017	0.448	76	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	Ge-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(GeC[6a]3)(CN)(H)2	H(CGeCH)	C(CGeHH)(N)	C(GeC[6a]3)(CN)(H)2	H(CGeCH)	C(CGeHH)(N)	108.1860	0.034	2	108.1860	0.001	2	108.1860	0.001	2	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-1:	C(NCoHH)(CC)(H)2	H(CCHN)	C(CHHN)(C)	C(NCoHH)(CC)(H)2	H(CCHN)	C(CHHN)(C)	107.2230	5.497	2	107.2230	30.218	2	107.2230	30.218	2	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	N-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(NCuCC)(CN)(H)2	H(CCHN)	C(CHHN)(N)	C(NCuCC)(CN)(H)2	H(CCHN)	C(CHHN)(N)	107.7165	0.090	2	107.7165	0.008	2	108.9039	0.569	8	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	N-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(NH3)(CN)(H)2	H(CCHN)	C(CHHN)(N)	C(NH3)(CN)(H)2	H(CCHN)	C(CHHN)(N)	109.2997	0.209	6	109.2997	0.044	6	108.9039	0.569	8	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	N[3x6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(N[3x6]C[6,6]3)(CN)(H)2	H(CN[3x6]CH)	C(CN[3x6]HH)(N)	C(N[3x6]C[6,6]3)(CN)(H)2	H(CN[3x6]CH)	C(CN[3x6]HH)(N)	109.3156	0.157	18	109.3156	0.025	18	109.3156	0.025	18	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	N[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(N[6]C[6]2C)(CN)(H)2	H(CN[6]CH)	C(CN[6]HH)(N)	C(N[6]C[6]2C)(CN)(H)2	H(CN[6]CH)	C(CN[6]HH)(N)	109.2612	0.042	4	109.2612	0.002	4	109.2612	0.002	4	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:1:	P-4:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(PC[6a]3)(CN)(H)2	H(CCHP)	C(CHHP)(N)	C(PC[6a]3)(CN)(H)2	H(CCHP)	C(CHHP)(N)	108.6630	0.000	1	108.6630	0.000	1	108.6630	0.000	1	109.0705	1.995	733	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	As-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(AsC[6a]2Mo)(CC)(H)2	H(CAsCH)	C(CAsHH)(CH)	C(AsC[6a]2Mo)(CC)(H)2	H(CAsCH)	C(CAsHH)(CH)	109.6475	0.005	2	109.6475	0.000	2	109.6475	0.000	2	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	B-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(BF3)(CN)(H)2	H(CBCH)	C(CBHH)(NRh)	C(BF3)(CN)(H)2	H(CBCH)	C(CBHH)(NRh)	108.7390	0.024	2	108.7390	0.001	2	108.7390	0.001	2	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC3)(CC)(H)2	H(CCCH)	C(CCHH)(CAu)	C(CC3)(CC)(H)2	H(CCCH)	C(CCHH)(CAu)	108.6510	0.017	2	108.6510	0.000	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC3)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CC3)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	109.2234	1.557	14	109.2234	2.423	14	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC3)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CC3)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.0621	0.227	10	109.0621	0.051	10	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC3)(CC)(H)2	H(CCCH)	C(CCHH)(CSi)	C(CC3)(CC)(H)2	H(CCCH)	C(CCHH)(CSi)	108.7320	0.071	2	108.7320	0.005	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCCH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CCCH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	109.1753	0.273	4	109.1753	0.075	4	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCCH)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CCCH)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.1583	0.296	15	109.1583	0.088	15	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCCO)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CCCO)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.0265	0.090	4	109.0265	0.008	4	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	109.2794	1.192	121	109.2794	1.420	121	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CCu)	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CCu)	110.5405	0.692	2	110.5405	0.479	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	108.9963	0.608	52	108.9963	0.370	52	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CP)	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CP)	109.1465	0.401	4	109.1465	0.161	4	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CPt)	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CPt)	108.4730	0.188	2	108.4730	0.035	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CS)	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CS)	109.2597	0.205	11	109.2597	0.042	11	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CSe)	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CSe)	108.8445	0.015	2	108.8445	0.000	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CSi)	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CSi)	109.3358	1.335	4	109.3358	1.783	4	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHN)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CCHN)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.0310	1.468	4	109.0310	2.154	4	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHN)(CC)(H)2	H(CCCH)	C(CCHH)(CSi)	C(CCHN)(CC)(H)2	H(CCCH)	C(CCHH)(CSi)	110.9415	2.763	2	110.9415	7.632	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHO)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CCHO)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	108.9003	0.027	3	108.9003	0.001	3	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CCHO)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CCHO)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.7520	0.065	2	109.7520	0.004	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[5]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CC[5]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.3815	0.016	2	109.3815	0.000	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[5a]CC)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CC[5a]CC)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.2479	0.095	7	109.2479	0.009	7	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[5a]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CC[5a]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	108.8355	0.084	2	108.8355	0.007	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[6a]2C)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CC[6a]2C)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	108.9335	0.040	2	108.9335	0.002	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[6a]2O)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CC[6a]2O)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	109.3115	0.008	2	109.3115	0.000	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[6a]2O)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CC[6a]2O)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.7610	0.700	4	109.7610	0.490	4	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[6a]CO)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CC[6a]CO)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	105.1095	0.432	2	105.1095	0.187	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[6a]HO)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CC[6a]HO)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	109.5900	0.014	2	109.5900	0.000	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[6a]HO)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CC[6a]HO)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.5239	0.721	13	109.5239	0.520	13	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CC[6a]HS)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CC[6a]HS)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.2290	0.013	2	109.2290	0.000	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CH3)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CH3)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	109.1751	0.386	8	109.1751	0.149	8	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CHHN)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CHHN)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	109.6125	1.630	6	109.6125	2.657	6	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CHHN)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CHHN)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.9535	0.610	2	109.9535	0.372	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CHHO)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CHHO)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	109.2358	0.063	5	109.2358	0.004	5	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CHHO)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CHHO)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.3185	0.025	2	109.3185	0.001	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CN[5]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CN[5]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	108.9070	0.028	2	108.9070	0.001	2	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CN[6]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	C(CN[6]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CC)	108.9075	0.755	4	108.9075	0.570	4	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(CN[6]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	C(CN[6]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CH)	109.2527	0.025	4	109.2527	0.001	4	109.2014	0.982	331	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NC)	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NC)	109.1590	0.041	2	109.1590	0.002	2	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NCo)	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NCo)	109.8095	0.593	2	109.8095	0.352	2	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NH)	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NH)	109.5965	0.006	2	109.5965	0.000	2	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NNi)	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NNi)	108.6610	0.453	4	108.6610	0.205	4	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NRh)	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NRh)	109.5810	0.034	2	109.5810	0.001	2	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NCr)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NCr)	109.1445	0.033	2	109.1445	0.001	2	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NCu)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NCu)	110.6510	0.107	2	110.6510	0.012	2	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NFe)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NFe)	109.3875	0.033	2	109.3875	0.001	2	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NH)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NH)	109.0535	0.009	2	109.0535	0.000	2	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NIr)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NIr)	109.3367	0.152	4	109.3367	0.023	4	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NMo)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NMo)	109.0980	0.031	2	109.0980	0.001	2	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NNi)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NNi)	109.0205	0.033	2	109.0205	0.001	2	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NPt)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NPt)	109.3386	0.723	22	109.3386	0.523	22	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NRu)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NRu)	109.2417	0.191	4	109.2417	0.036	4	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NSn)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NSn)	109.6390	0.156	4	109.6390	0.024	4	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NW)	C(CH3)(CN)(H)2	H(CCCH)	C(CCHH)(NW)	108.7570	0.265	4	108.7570	0.070	4	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(CHHN)(CN)(H)2	H(CCCH)	C(CCHH)(NNi)	C(CHHN)(CN)(H)2	H(CCCH)	C(CCHH)(NNi)	109.5130	0.000	1	109.5130	0.000	1	109.3096	0.335	63	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C-4:C-2:H-1:O-1:	C-4:	C-4:O-2:	C(CHHO)(CO)(H)(O)	H(CCCO)	C(CCHO)(OC)	C(CHHO)(CO)(H)(O)	H(CCCO)	C(CCHO)(OC)	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[3]-4:C-2:H-1:O-1:	C-4:	C-4:C-2:	C(C[3]C[3]N[3]C)(CC)(H)(O)	H(CC[3]CO)	C(CC[3]HO)(CH)	C(C[3]C[3]N[3]C)(CC)(H)(O)	H(CC[3]CO)	C(CC[3]HO)(CH)	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[4]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[4]C[4]2O)(CC)(H)2	H(CC[4]CH)	C(CC[4]HH)(CN[5])	C(C[4]C[4]2O)(CC)(H)2	H(CC[4]CH)	C(CC[4]HH)(CN[5])	109.2850	0.037	2	109.2850	0.001	2	109.2850	0.001	2	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5,6]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5,6]C[3,5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	C(CC[5,6]HH)(CC)	C(C[5,6]C[3,5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	C(CC[5,6]HH)(CC)	109.0120	0.028	2	109.0120	0.001	2	108.7481	0.620	9	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5,6]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	C(CC[5,6]HH)(CH)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	C(CC[5,6]HH)(CH)	108.5645	0.926	6	108.5645	0.858	6	108.7481	0.620	9	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5,6]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5,6]O[5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	C(CC[5,6]HH)(CC[6a])	C(C[5,6]O[5,6]C[5]C[6])(CC)(H)2	H(CC[5,6]CH)	C(CC[5,6]HH)(CC[6a])	109.3220	0.000	1	109.3220	0.000	1	108.7481	0.620	9	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:Br-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]O[5]H)(CC)(Br)(H)	H(CC[5]BrC)	C(CC[5]BrH)(CH)	C(C[5]C[5]O[5]H)(CC)(Br)(H)	H(CC[5]BrC)	C(CC[5]BrH)(CH)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6,6]O[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CSi)	C(C[5]C[5,6,6]O[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CSi)	109.0090	0.031	2	109.0090	0.001	2	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6]O[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	C(C[5]C[5,6]O[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	110.6620	0.074	2	110.6620	0.005	2	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6]O[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CSi)	C(C[5]C[5,6]O[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CSi)	109.1195	0.053	2	109.1195	0.003	2	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6a]2C)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	C(C[5]C[5,6a]2C)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	108.6197	0.040	4	108.6197	0.002	4	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	108.9373	0.187	4	108.9373	0.035	4	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6a]C[5]C)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC[6a])	C(C[5]C[5,6a]C[5]C)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC[6a])	109.0160	0.008	2	109.0160	0.000	2	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6a]C[5]C)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	C(C[5]C[5,6a]C[5]C)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	109.0525	0.054	2	109.0525	0.003	2	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6a]C[5]O)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC[6a])	C(C[5]C[5,6a]C[5]O)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC[6a])	109.0745	0.394	2	109.0745	0.155	2	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6a]C[6a]N[5])(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	C(C[5]C[5,6a]C[6a]N[5])(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	109.1025	3.668	2	109.1025	13.452	2	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6a]N[5]C)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	C(C[5]C[5,6a]N[5]C)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	109.8475	1.076	4	109.8475	1.158	4	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]2C)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	C(C[5]C[5]2C)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	109.0433	0.417	4	109.0433	0.174	4	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]2H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	C(C[5]C[5]2H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	108.8472	0.201	6	108.8472	0.040	6	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]2O)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	C(C[5]C[5]2O)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	109.1845	0.019	2	109.1845	0.000	2	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]N[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	C(C[5]C[5]N[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CH)	108.9945	0.037	2	108.9945	0.001	2	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]O[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC)	C(C[5]C[5]O[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC)	109.5220	0.236	4	109.5220	0.056	4	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]O[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC[5])	C(C[5]C[5]O[5]H)(CC)(H)2	H(CC[5]CH)	C(CC[5]HH)(CC[5])	109.1518	0.033	4	109.1518	0.001	4	109.1666	0.579	48	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6]C[5,6]C[6]H)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CH)	C(C[6]C[5,6]C[6]H)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CH)	108.7720	0.013	2	108.7720	0.000	2	109.2284	1.298	22	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6]C[6,6a]C[6,6]O)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CH)	C(C[6]C[6,6a]C[6,6]O)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CH)	108.1615	1.104	2	108.1615	1.218	2	109.2284	1.298	22	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6]C[6,6a]C[6]H)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CC)	C(C[6]C[6,6a]C[6]H)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CC)	110.2735	1.763	6	110.2735	3.108	6	109.2284	1.298	22	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6]C[6,6a]N[6]H)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CC[6a])	C(C[6]C[6,6a]N[6]H)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CC[6a])	108.9300	0.016	2	108.9300	0.000	2	109.2284	1.298	22	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6]C[6]2C)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CH)	C(C[6]C[6]2C)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CH)	109.1470	0.024	2	109.1470	0.001	2	109.2284	1.298	22	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(C[6]C[6]2O)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CH)	C(C[6]C[6]2O)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)(CH)	108.9204	0.207	8	108.9204	0.043	8	109.2284	1.298	22	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(C[6]C[6]2H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(NFe)	C(C[6]C[6]2H)(CN)(H)2	H(CC[6]CH)	C(CC[6]HH)(NFe)	105.3845	0.084	2	105.3845	0.007	2	105.3845	0.007	2	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NB[5x3,5x5,20x6]CC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	108.6192	0.128	6	108.6192	0.016	6	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC3)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NC3)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	108.3740	0.006	2	108.3740	0.000	2	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NC3)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NC3)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.2840	0.051	2	109.2840	0.003	2	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCCH)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NCCH)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	110.8263	0.669	3	110.8263	0.448	3	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCCH)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NCCH)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.4870	0.000	1	109.4870	0.000	1	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCHH)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NCHH)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.6720	0.029	3	109.6720	0.001	3	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCuCC)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NCuCC)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	109.2298	0.403	20	109.2298	0.163	20	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NCuCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NCuCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.0958	0.267	6	109.0958	0.071	6	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NFeCC)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NFeCC)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	109.1450	0.190	5	109.1450	0.036	5	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NFeCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NFeCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	108.8225	0.184	10	108.8225	0.034	10	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NMnCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NMnCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	108.6889	0.534	7	108.6889	0.285	7	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NNiCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NNiCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	108.6910	0.023	2	108.6910	0.001	2	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NReCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NReCC)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	109.0260	0.254	5	109.0260	0.065	5	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NReHH)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	C(NReHH)(CC)(H)2	H(CCHN)	C(CHHN)(CH)	110.0705	0.025	2	110.0705	0.001	2	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(NZnCC)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	C(NZnCC)(CC)(H)2	H(CCHN)	C(CHHN)(CC)	108.7693	0.363	18	108.7693	0.131	18	109.0484	0.307	92	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(NCCH)(CN)(H)2	H(CCHN)	C(CHHN)(NH)	C(NCCH)(CN)(H)2	H(CCHN)	C(CHHN)(NH)	109.0230	0.135	4	109.0230	0.018	4	109.1435	0.046	6	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N-4:C-2:H-1:H-1:	C-4:	C-4:N-2:	C(NH3)(CN)(H)2	H(CCHN)	C(CHHN)(NH)	C(NH3)(CN)(H)2	H(CCHN)	C(CHHN)(NH)	109.3845	0.028	2	109.3845	0.001	2	109.1435	0.046	6	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	N[5]-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(N[5]C[5]2H)(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CC[6a])	C(N[5]C[5]2H)(CC)(H)2	H(CN[5]CH)	C(CN[5]HH)(CC[6a])	109.2440	0.010	2	109.2440	0.000	2	109.2440	0.000	2	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	S-4:C-2:F-1:H-1:	C-4:	C-4:C-2:	C(SC[5a]OO)(CC)(F)(H)	H(CCFS)	C(CFHS)(CSi)	C(SC[5a]OO)(CC)(F)(H)	H(CCFS)	C(CFHS)(CSi)	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	S-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SC[6a]OO)(CC)(H)2	H(CCHS)	C(CHHS)(CH)	C(SC[6a]OO)(CC)(H)2	H(CCHS)	C(CHHS)(CH)	109.0675	0.013	2	109.0675	0.000	2	109.0675	0.000	2	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	Si-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SiC[6a]3)(CC)(H)2	H(CSiCH)	C(CSiHH)(CH)	C(SiC[6a]3)(CC)(H)2	H(CSiCH)	C(CSiHH)(CH)	111.9345	2.248	2	111.9345	5.053	2	110.4552	1.951	20	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	Si-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SiSiCC)(CC)(H)2	H(CSiCH)	C(CSiHH)(CC)	C(SiSiCC)(CC)(H)2	H(CSiCH)	C(CSiHH)(CC)	109.6873	0.832	6	109.6873	0.693	6	110.4552	1.951	20	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:2:	Si-4:C-2:H-1:H-1:	C-4:	C-4:C-2:	C(SiSiCC)(CC)(H)2	H(CSiCH)	C(CSiHH)(CSi)	C(SiSiCC)(CC)(H)2	H(CSiCH)	C(CSiHH)(CSi)	110.5926	1.362	12	110.5926	1.856	12	110.4552	1.951	20	109.2149	0.915	607	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:3:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-3:	C(CCCN)(CC)(H)2	H(CCCH)	C(CCHH)(CHH)	C(CCCN)(CC)(H)2	H(CCCH)	C(CCHH)(CHH)	113.9890	0.380	2	113.9890	0.145	2	111.3943	7.095	9	111.3943	7.095	9	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:3:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-3:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CCH)	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CCH)	108.8790	0.000	1	108.8790	0.000	1	111.3943	7.095	9	111.3943	7.095	9	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:3:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-3:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CHH)	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)(CHH)	114.3425	0.745	2	114.3425	0.554	2	111.3943	7.095	9	111.3943	7.095	9	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:3:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-3:	C(CH3)(CC)(H)2	H(CCCH)	C(CCHH)(CCO)	C(CH3)(CC)(H)2	H(CCCH)	C(CCHH)(CCO)	109.3195	0.077	2	109.3195	0.006	2	111.3943	7.095	9	111.3943	7.095	9	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:3:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-3:	C(CMoCH)(CC)(H)2	H(CCCH)	C(CCHH)(CCH)	C(CMoCH)(CC)(H)2	H(CCCH)	C(CCHH)(CCH)	109.1840	0.704	2	109.1840	0.496	2	111.3943	7.095	9	111.3943	7.095	9	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)2	C(CCHH)(CC)(H)2	H(CCCH)	C(CCHH)2	111.5375	0.012	2	111.5375	0.000	2	106.4357	34.681	18	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(CH3)(CC)(H)2	H(CCCH)	C(CCHH)(CHHN)	C(CH3)(CC)(H)2	H(CCCH)	C(CCHH)(CHHN)	110.9445	0.115	2	110.9445	0.013	2	106.4357	34.681	18	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(CH3)(CC)(H)2	H(CCCH)	C(CCHH)2	C(CH3)(CC)(H)2	H(CCCH)	C(CCHH)2	102.3272	7.983	6	102.3272	63.735	6	106.4357	34.681	18	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(CH3)(CC)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)	C(CH3)(CC)(H)2	H(CCCH)	C(CN[6]HH)(CCHH)	101.9095	0.018	2	101.9095	0.000	2	106.4357	34.681	18	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(CHHN)(CC)(H)2	H(CCCH)	C(CCHH)(CH3)	C(CHHN)(CC)(H)2	H(CCCH)	C(CCHH)(CH3)	109.2035	0.042	2	109.2035	0.002	2	106.4357	34.681	18	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	C-4:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(CN[5]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CH3)	C(CN[5]HH)(CC)(H)2	H(CCCH)	C(CCHH)(CH3)	108.6725	0.440	4	108.6725	0.194	4	106.4357	34.681	18	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	C-4:C-2:H-1:H-1:	C-4:	C-4:N-4:	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NC3)	C(CCHH)(CN)(H)2	H(CCCH)	C(CCHH)(NC3)	109.5859	0.155	9	109.5859	0.024	9	109.5859	0.024	9	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	C[6]-4:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(C[6]C[6]2H)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)2	C(C[6]C[6]2H)(CC)(H)2	H(CC[6]CH)	C(CC[6]HH)2	108.6720	0.052	2	108.6720	0.003	2	108.6720	0.003	2	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(NC3)(CC)(H)2	H(CCHN)	C(CCHH)(CHHN)	C(NC3)(CC)(H)2	H(CCHN)	C(CCHH)(CHHN)	108.2790	0.016	2	108.2790	0.000	2	107.9013	0.575	8	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(NCuCC)(CC)(H)2	H(CCHN)	C(CHHN)2	C(NCuCC)(CC)(H)2	H(CCHN)	C(CHHN)2	108.1188	0.682	4	108.1188	0.465	4	107.9013	0.575	8	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	N-4:C-2:H-1:H-1:	C-4:	C-4:C-4:	C(NCuCH)(CC)(H)2	H(CCHN)	C(CHHN)2	C(NCuCH)(CC)(H)2	H(CCHN)	C(CHHN)2	107.0885	0.911	2	107.0885	0.831	2	107.9013	0.575	8	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	N-4:C-2:H-1:H-1:	C-4:	C-4:N-4:	C(NCCH)(CN)(H)2	H(CCHN)	C(CHHN)(NCHH)	C(NCCH)(CN)(H)2	H(CCHN)	C(CHHN)(NCHH)	109.5345	0.073	2	109.5345	0.005	2	109.5345	0.005	2	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:1:1:	4:	4:4:	N-4:C-2:H-1:H-1:	C-4:	N-4:C-4:	C(NPdHH)(CN)(H)2	H(CCHN)	C(NPdHH)(CHHN)	C(NPdHH)(CN)(H)2	H(CCHN)	C(NPdHH)(CHHN)	110.1495	0.028	2	110.1495	0.001	2	110.1495	0.001	2	107.8546	16.864	41	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	2:4:	C-4:C-2:C-2:H-1:	C-4:	C-2:C-4:	C(CCHH)(CC)(CN)(H)	H(CC3)	C(CC[6a])(CCCH)	C(CCHH)(CC)(CN)(H)	H(CC3)	C(CC[6a])(CCCH)	107.8605	0.193	2	107.8605	0.037	2	107.8605	0.037	2	108.5425	0.082	37	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	2:4:	C-4:C-2:O-2:H-1:	C-4:	C-2:C-4:	C(CCHN)(CC)(OH)(H)	H(CCCO)	C(CC[6a])(CCHO)	C(CCHN)(CC)(OH)(H)	H(CCCO)	C(CC[6a])(CCHO)	108.1290	0.000	2	108.1290	0.000	2	108.5847	0.054	33	108.5425	0.082	37	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	2:4:	C-4:C-2:O-2:H-1:	C-4:	C-2:C-4:	C(CH3)(CC)(OH)(H)	H(CCCO)	C(CC[6a])(CCHO)	C(CH3)(CC)(OH)(H)	H(CCCO)	C(CC[6a])(CCHO)	108.6141	0.208	31	108.6141	0.043	31	108.5847	0.054	33	108.5425	0.082	37	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	2:4:	N-4:C-2:S-2:H-1:	C-4:	C-2:C-4:	C(NC3)(CC)(SC)(H)	H(CCNS)	C(CC[6a])(CHNS)	C(NC3)(CC)(SC)(H)	H(CCNS)	C(CC[6a])(CHNS)	108.2180	0.000	1	108.2180	0.000	1	108.2180	0.000	1	108.5425	0.082	37	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	2:4:	P-4:C-2:O-2:H-1:	C-4:	C-2:C-4:	C(PC[6a]C[6]O)(CC)(OH)(H)	H(CCOP)	C(CC[6a])(CHOP)	C(PC[6a]C[6]O)(CC)(OH)(H)	H(CCOP)	C(CC[6a])(CHOP)	108.8400	0.000	1	108.8400	0.000	1	108.8400	0.000	1	108.5425	0.082	37	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	3:4:	C-4:C-2:N-2:H-1:	C-4:	C[6a]-3:C-4:	C(CC[6a]HN)(CC[6a])(NN)(H)	H(CCCN)	C(C[6a]C[6a]2)(CCHN)	C(CC[6a]HN)(CC[6a])(NN)(H)	H(CCCN)	C(C[6a]C[6a]2)(CCHN)	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(CC3)(CN)2(H)	H(CC3)	C(CCCH)(N)	C(CC3)(CN)2(H)	H(CC3)	C(CCCH)(N)	107.8685	0.225	4	107.8685	0.051	4	107.6320	0.218	25	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(CCHH)(CC)(CN)(H)	H(CC3)	C(CCCH)(N)	C(CCHH)(CC)(CN)(H)	H(CC3)	C(CCCH)(N)	107.8760	0.199	2	107.8760	0.040	2	107.6320	0.218	25	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(CCHH)(CN)2(H)	H(CC3)	C(CCCH)(N)	C(CCHH)(CN)2(H)	H(CC3)	C(CCCH)(N)	107.8513	0.089	4	107.8513	0.008	4	107.6320	0.218	25	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(CC[6a]3)(CN)2(H)	H(CC3)	C(CCCH)(N)	C(CC[6a]3)(CN)2(H)	H(CC3)	C(CCCH)(N)	107.0093	0.622	4	107.0093	0.387	4	107.6320	0.218	25	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(CC[6a]CH)(CN)2(H)	H(CC3)	C(CCCH)(N)	C(CC[6a]CH)(CN)2(H)	H(CC3)	C(CCCH)(N)	107.5452	0.163	4	107.5452	0.027	4	107.6320	0.218	25	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(CC[6a]C[6]H)(CN)2(H)	H(CC3)	C(CCCH)(N)	C(CC[6a]C[6]H)(CN)2(H)	H(CC3)	C(CCCH)(N)	107.5796	0.579	5	107.5796	0.336	5	107.6320	0.218	25	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(CC[6a]HH)(CN)2(H)	H(CC3)	C(CCCH)(N)	C(CC[6a]HH)(CN)2(H)	H(CC3)	C(CCCH)(N)	108.0270	0.016	2	108.0270	0.000	2	107.6320	0.218	25	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:N-2:H-1:	C-4:	C-4:N-1:	C(CC3)(CN)(NC)(H)	H(CCCN)	C(CCHN)(N)	C(CC3)(CN)(NC)(H)	H(CCCN)	C(CCHN)(N)	108.7740	0.239	2	108.7740	0.057	2	108.7740	0.057	2	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:O-2:H-1:	C-4:	C-4:N-1:	C(CCHH)(CN)(OS)(H)	H(CCCO)	C(CCHO)(N)	C(CCHH)(CN)(OS)(H)	H(CCCO)	C(CCHO)(N)	109.9020	0.000	1	109.9020	0.000	1	109.4679	0.385	9	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:O-2:H-1:	C-4:	C-4:N-1:	C(CCHO)(CN)(OC)(H)	H(CCCO)	C(CCHO)(N)	C(CCHO)(CN)(OC)(H)	H(CCCO)	C(CCHO)(N)	109.6707	0.823	4	109.6707	0.677	4	109.4679	0.385	9	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:O-2:H-1:	C-4:	C-4:N-1:	C(CCHO)(CN)(OH)(H)	H(CCCO)	C(CCHO)(N)	C(CCHO)(CN)(OH)(H)	H(CCCO)	C(CCHO)(N)	109.5290	0.000	1	109.5290	0.000	1	109.4679	0.385	9	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C-4:C-2:O-2:H-1:	C-4:	C-4:N-1:	C(CC[5]HH)(CN)(OC)(H)	H(CCCO)	C(CCHO)(N)	C(CC[5]HH)(CN)(OC)(H)	H(CCCO)	C(CCHO)(N)	109.0323	0.246	3	109.0323	0.060	3	109.4679	0.385	9	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C[3]-4:C-2:O-2:H-1:	C-4:	C-4:N-1:	C(C[3]C[3]2C)(CN)(OH)(H)	H(CC[3]CO)	C(CC[3]HO)(N)	C(C[3]C[3]2C)(CN)(OH)(H)	H(CC[3]CO)	C(CC[3]HO)(N)	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C[3x6]-4:C-2:N-2:H-1:	C-4:	C-4:N-1:	C(C[3x6]C[6,6]3)(CN)(NC)(H)	H(CC[3x6]CN)	C(CC[3x6]HN)(N)	C(C[3x6]C[6,6]3)(CN)(NC)(H)	H(CC[3x6]CN)	C(CC[3x6]HN)(N)	108.8250	0.000	1	108.8250	0.000	1	108.8250	0.000	1	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C[5,5]-4:C-2:O-2:H-1:	C-4:	C-4:N-1:	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	H(CC[5,5]CO)	C(CC[5,5]HO)(N)	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	H(CC[5,5]CO)	C(CC[5,5]HO)(N)	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C[5]-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(C[5]C[5,6a]2C[6])(CN)2(H)	H(CC[5]CC)	C(CC[5]CH)(N)	C(C[5]C[5,6a]2C[6])(CN)2(H)	H(CC[5]CC)	C(CC[5]CH)(N)	107.5455	0.083	2	107.5455	0.007	2	107.7000	0.069	10	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C[5]-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(C[5]C[5,6a]C[5]C)(CN)2(H)	H(CC[5]CC)	C(CC[5]CH)(N)	C(C[5]C[5,6a]C[5]C)(CN)2(H)	H(CC[5]CC)	C(CC[5]CH)(N)	107.7386	0.282	8	107.7386	0.080	8	107.7000	0.069	10	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C[6,6]-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(C[6,6]C[3x6]2C)(CN)2(H)	H(CC[6,6]CC)	C(CC[6,6]CH)(N)	C(C[6,6]C[3x6]2C)(CN)2(H)	H(CC[6,6]CC)	C(CC[6,6]CH)(N)	107.4035	0.019	2	107.4035	0.000	2	107.7790	0.089	8	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C[6,6]-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(C[6,6]C[6,6]C[6]2)(CN)2(H)	H(CC[6,6]CC)	C(CC[6,6]CH)(N)	C(C[6,6]C[6,6]C[6]2)(CN)2(H)	H(CC[6,6]CC)	C(CC[6,6]CH)(N)	107.9020	0.280	4	107.9020	0.079	4	107.7790	0.089	8	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C[6,6]-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(C[6,6]C[6,6a]C[6,6]C[6])(CN)2(H)	H(CC[6,6]CC)	C(CC[6,6]CH)(N)	C(C[6,6]C[6,6a]C[6,6]C[6])(CN)2(H)	H(CC[6,6]CC)	C(CC[6,6]CH)(N)	107.9085	0.093	2	107.9085	0.009	2	107.7790	0.089	8	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	C[6]-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(C[6]C[6,6a]C[6]H)(CN)2(H)	H(CC[6]CC)	C(CC[6]CH)(N)	C(C[6]C[6,6a]C[6]H)(CN)2(H)	H(CC[6]CC)	C(CC[6]CH)(N)	108.0160	0.368	2	108.0160	0.135	2	108.0160	0.135	2	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:1:	N-4:C-2:C-2:H-1:	C-4:	C-4:N-1:	C(NH3)(CN)2(H)	H(CCCN)	C(CCHN)(N)	C(NH3)(CN)2(H)	H(CCCN)	C(CCHN)(N)	109.2655	0.961	2	109.2655	0.923	2	109.2655	0.923	2	108.1035	0.700	61	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:N-2:H-1:	C-4:	C-4:C-2:	C(CC3)(CC)(NS)(H)	H(CCCN)	C(CCHN)(CP)	C(CC3)(CC)(NS)(H)	H(CCCN)	C(CCHN)(CP)	107.3060	0.000	1	107.3060	0.000	1	107.6320	0.213	2	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:N-2:H-1:	C-4:	C-4:C-2:	C(CCCH)(CC)(NS)(H)	H(CCCN)	C(CCHN)(CSi)	C(CCCH)(CC)(NS)(H)	H(CCCN)	C(CCHN)(CSi)	107.9580	0.000	1	107.9580	0.000	1	107.6320	0.213	2	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CC3)(CC)(OC)(H)	H(CCCO)	C(CCHO)(CC)	C(CC3)(CC)(OC)(H)	H(CCCO)	C(CCHO)(CC)	109.1120	0.000	1	109.1120	0.000	1	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CCCH)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CC)	C(CCCH)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CC)	112.2955	5.344	2	112.2955	28.554	2	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CCCH)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CH)	C(CCCH)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CH)	108.7840	0.444	2	108.7840	0.197	2	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CCCO)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CH)	C(CCCO)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CH)	108.0010	0.000	1	108.0010	0.000	1	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CCHH)(CC)(OC)(H)	H(CCCO)	C(CCHO)(CC)	C(CCHH)(CC)(OC)(H)	H(CCCO)	C(CCHO)(CC)	109.6650	0.000	1	109.6650	0.000	1	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CCHH)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CC)	C(CCHH)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CC)	108.5380	0.719	3	108.5380	0.517	3	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CCHO)(CC)(OC)(H)	H(CCCO)	C(CCHO)(CC)	C(CCHO)(CC)(OC)(H)	H(CCCO)	C(CCHO)(CC)	109.8980	0.000	1	109.8980	0.000	1	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CCHO)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CC)	C(CCHO)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CC)	108.9150	0.000	1	108.9150	0.000	1	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CC[5a]HH)(CC)(OC)(H)	H(CCCO)	C(CCHO)(CSi)	C(CC[5a]HH)(CC)(OC)(H)	H(CCCO)	C(CCHO)(CSi)	109.8750	0.000	1	109.8750	0.000	1	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CC[6a]CO)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CH)	C(CC[6a]CO)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CH)	108.4190	0.378	2	108.4190	0.143	2	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CCl2C)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CC)	C(CCl2C)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CC)	106.7450	0.000	1	106.7450	0.000	1	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(CH3)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CC)	C(CH3)(CC)(OH)(H)	H(CCCO)	C(CCHO)(CC)	108.8971	0.201	15	108.8971	0.040	15	109.0413	2.061	31	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C-4:O-2:C-2:H-1:	C-4:	C-4:C-2:	C(CC[6a]HH)(OC[6a])(CC)(H)	H(CCCO)	C(CCHO)(CH)	C(CC[6a]HH)(OC[6a])(CC)(H)	H(CCCO)	C(CCHO)(CH)	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[3,6]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[3,6]C[3,6]C[6]O[3])(CC)(OH)(H)	H(CC[3,6]CO)	C(CC[3,6]HO)(CC)	C(C[3,6]C[3,6]C[6]O[3])(CC)(OH)(H)	H(CC[3,6]CO)	C(CC[3,6]HO)(CC)	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[3]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[3]C[3]N[3]C)(CC)(OH)(H)	H(CC[3]CO)	C(CC[3]HO)(CC)	C(C[3]C[3]N[3]C)(CC)(OH)(H)	H(CC[3]CO)	C(CC[3]HO)(CC)	108.9790	0.000	1	108.9790	0.000	1	109.3440	0.105	3	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[3]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[3]C[3]N[3]C)(CC)(OH)(H)	H(CC[3]CO)	C(CC[3]HO)(CH)	C(C[3]C[3]N[3]C)(CC)(OH)(H)	H(CC[3]CO)	C(CC[3]HO)(CH)	109.5970	0.000	1	109.5970	0.000	1	109.3440	0.105	3	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[3]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[3]C[3]O[3]H)(CC)(OH)(H)	H(CC[3]CO)	C(CC[3]HO)(CC)	C(C[3]C[3]O[3]H)(CC)(OH)(H)	H(CC[3]CO)	C(CC[3]HO)(CC)	109.4560	0.000	1	109.4560	0.000	1	109.3440	0.105	3	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[5,5]-4:O-2:C-2:H-1:	C-4:	C-4:C-2:	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	H(CC[5,5]CO)	C(CC[5,5]HO)(CC)	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	H(CC[5,5]CO)	C(CC[5,5]HO)(CC)	108.5420	0.000	1	108.5420	0.000	1	108.5420	0.000	1	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[5]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]N[5]H)(CC)(OH)(H)	H(CC[5]CO)	C(CC[5]HO)(CC)	C(C[5]C[5]N[5]H)(CC)(OH)(H)	H(CC[5]CO)	C(CC[5]HO)(CC)	109.3770	0.269	2	109.3770	0.072	2	108.1865	4.050	6	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[5]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]O[5]C)(CC)(OC)(H)	H(CC[5]CO)	C(CC[5]HO)(CC)	C(C[5]C[5]O[5]C)(CC)(OC)(H)	H(CC[5]CO)	C(CC[5]HO)(CC)	104.5650	0.000	1	104.5650	0.000	1	108.1865	4.050	6	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[5]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]O[5]C)(CC)(OC)(H)	H(CC[5]CO)	C(CC[5]HO)(CC[6a])	C(C[5]C[5]O[5]C)(CC)(OC)(H)	H(CC[5]CO)	C(CC[5]HO)(CC[6a])	107.0420	0.000	1	107.0420	0.000	1	108.1865	4.050	6	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[5]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]O[5]H)(CC)(OH)(H)	H(CC[5]CO)	C(CC[5]HO)(CH)	C(C[5]C[5]O[5]H)(CC)(OH)(H)	H(CC[5]CO)	C(CC[5]HO)(CH)	109.3790	0.272	2	109.3790	0.074	2	108.1865	4.050	6	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[6]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[6]C[5,6]C[6]H)(CC)(OC)(H)	H(CC[6]CO)	C(CC[6]HO)(CC[6a])	C(C[6]C[5,6]C[6]H)(CC)(OC)(H)	H(CC[6]CO)	C(CC[6]HO)(CC[6a])	107.8830	0.000	1	107.8830	0.000	1	108.6637	0.396	4	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[6]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[6]C[5,6]C[6]H)(CC)(OH)(H)	H(CC[6]CO)	C(CC[6]HO)(CC)	C(C[6]C[5,6]C[6]H)(CC)(OH)(H)	H(CC[6]CO)	C(CC[6]HO)(CC)	109.1195	0.383	2	109.1195	0.146	2	108.6637	0.396	4	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[6]-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(C[6]C[6]N[6]H)(CC)(OC)(H)	H(CC[6]CO)	C(CC[6]HO)(CH)	C(C[6]C[6]N[6]H)(CC)(OC)(H)	H(CC[6]CO)	C(CC[6]HO)(CH)	108.5330	0.000	1	108.5330	0.000	1	108.6637	0.396	4	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	C[6]-4:O-2:C-2:H-1:	C-4:	C-4:C-2:	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	H(CC[6]CO)	C(CC[6]HO)(CC)	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	H(CC[6]CO)	C(CC[6]HO)(CC)	106.8070	0.000	1	106.8070	0.000	1	106.8070	0.000	1	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:2:2:1:	4:	4:2:	P-4:C-2:O-2:H-1:	C-4:	C-4:C-2:	C(PO3)(CC)(OH)(H)	H(CCOP)	C(CHOP)(CC)	C(PO3)(CC)(OH)(H)	H(CCOP)	C(CHOP)(CC)	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	108.7408	1.996	51	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	2:4:	C-4:C-3:C-2:H-1:	C-4:	C-2:C-4:	C(CCHO)(CCH)(CC)(H)	H(CC3)	C(CC[6])(CCCH)	C(CCHO)(CCH)(CC)(H)	H(CC3)	C(CC[6])(CCCH)	110.7410	0.000	1	110.7410	0.000	1	108.2520	5.251	3	108.2935	3.507	4	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	2:4:	C-4:C-3:C-2:H-1:	C-4:	C-2:C-4:	C(CHHO)(CCH)(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	C(CHHO)(CCH)(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	107.0075	1.100	2	107.0075	1.209	2	108.2520	5.251	3	108.2935	3.507	4	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	2:4:	C-4:N-3:C-2:H-1:	C-4:	C-2:C-4:	C(CH3)(NCH)(CC)(H)	H(CCCN)	C(CC[6a])(CCHN)	C(CH3)(NCH)(CC)(H)	H(CCCN)	C(CC[6a])(CCHN)	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	108.2935	3.507	4	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(CB[5]HH)(CCH)(CN)(H)	H(CC3)	C(CCCH)(N)	C(CB[5]HH)(CCH)(CN)(H)	H(CC3)	C(CCCH)(N)	108.5650	0.011	2	108.5650	0.000	2	109.0356	0.187	7	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(CC[6a]CH)(COO)(CN)(H)	H(CC3)	C(CCCH)(N)	C(CC[6a]CH)(COO)(CN)(H)	H(CC3)	C(CCCH)(N)	108.6070	0.000	1	108.6070	0.000	1	109.0356	0.187	7	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(CC[6a]HH)(CC[5a]O)(CN)(H)	H(CC3)	C(CCCH)(N)	C(CC[6a]HH)(CC[5a]O)(CN)(H)	H(CC3)	C(CCCH)(N)	109.3780	0.097	4	109.3780	0.009	4	109.0356	0.187	7	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:N-3:C-2:H-1:	C-4:	C-4:H-1:	C(CH3)(NCH)(CH)(H)	H(CCCN)	C(CCHN)(H)	C(CH3)(NCH)(CH)(H)	H(CCCN)	C(CCHN)(H)	106.0610	0.000	1	106.0610	0.000	1	106.0610	0.000	1	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(CC3)(NHS)(CN)(H)	H(CCCN)	C(CCHN)(N)	C(CC3)(NHS)(CN)(H)	H(CCCN)	C(CCHN)(N)	107.1820	0.000	1	107.1820	0.000	1	107.3854	0.606	14	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(CCCH)(NCN)(CN)(H)	H(CCCN)	C(CCHN)(N)	C(CCCH)(NCN)(CN)(H)	H(CCCN)	C(CCHN)(N)	107.0720	0.000	1	107.0720	0.000	1	107.3854	0.606	14	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(CCHH)(NCC)(CN)(H)	H(CCCN)	C(CCHN)(N)	C(CCHH)(NCC)(CN)(H)	H(CCCN)	C(CCHN)(N)	106.3580	0.236	2	106.3580	0.056	2	107.3854	0.606	14	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(CCHH)(NCH)(CN)(H)	H(CCCN)	C(CCHN)(N)	C(CCHH)(NCH)(CN)(H)	H(CCCN)	C(CCHN)(N)	107.9510	0.407	2	107.9510	0.166	2	107.3854	0.606	14	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(CCHH)(NHS)(CN)(H)	H(CCCN)	C(CCHN)(N)	C(CCHH)(NHS)(CN)(H)	H(CCCN)	C(CCHN)(N)	107.1585	1.425	2	107.1585	2.030	2	107.3854	0.606	14	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(CCHN)(NCC)(CN)(H)	H(CCCN)	C(CCHN)(N)	C(CCHN)(NCC)(CN)(H)	H(CCCN)	C(CCHN)(N)	107.6500	0.647	3	107.6500	0.418	3	107.3854	0.606	14	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C-4:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(CC[6a]CH)(NHS)(CN)(H)	H(CCCN)	C(CCHN)(N)	C(CC[6a]CH)(NHS)(CN)(H)	H(CCCN)	C(CCHN)(N)	107.7520	0.767	3	107.7520	0.589	3	107.3854	0.606	14	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C[3x6]-4:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[3x6]C[6,6]3)(CBrC)(CN)(H)	H(CC[3x6]CC)	C(CC[3x6]CH)(N)	C(C[3x6]C[6,6]3)(CBrC)(CN)(H)	H(CC[3x6]CC)	C(CC[3x6]CH)(N)	105.8170	0.000	1	105.8170	0.000	1	105.8170	0.000	1	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C[5]-4:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	H(CC[5]CC)	C(CC[5]CH)(N)	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	H(CC[5]CC)	C(CC[5]CH)(N)	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C[5]-4:C[6a]-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(N)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CN)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(N)	107.1480	0.000	1	107.1480	0.000	1	107.3903	0.177	7	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C[5]-4:C[6a]-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(N)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(N)	107.5583	0.353	4	107.5583	0.124	4	107.3903	0.177	7	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C[5]-4:C[6a]-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(N)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(N)	107.1755	0.653	2	107.1755	0.426	2	107.3903	0.177	7	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C[5]-4:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[5]C[5]2Fe)(NCC)(CN)(H)	H(CC[5]CN)	C(CC[5]HN)(N)	C(C[5]C[5]2Fe)(NCC)(CN)(H)	H(CC[5]CN)	C(CC[5]HN)(N)	106.6020	0.000	1	106.6020	0.000	1	106.8400	0.113	2	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C[5]-4:N-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[5]C[5]2Mn)(NHH)(CN)(H)	H(CC[5]CN)	C(CC[5]HN)(N)	C(C[5]C[5]2Mn)(NHH)(CN)(H)	H(CC[5]CN)	C(CC[5]HN)(N)	107.0780	0.000	1	107.0780	0.000	1	106.8400	0.113	2	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:1:	C[6]-4:C-3:C-2:H-1:	C-4:	C-4:N-1:	C(C[6]C[6]2H)(COO)(CN)(H)	H(CC[6]CC)	C(CC[6]CH)(N)	C(C[6]C[6]2H)(COO)(CN)(H)	H(CC[6]CC)	C(CC[6]CH)(N)	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	107.6672	1.010	34	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:2:	C-4:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(CCHH)(NHS)(CC)(H)	H(CCCN)	C(CCHN)(CSi)	C(CCHH)(NHS)(CC)(H)	H(CCCN)	C(CCHN)(CSi)	108.9270	0.000	1	108.9270	0.000	1	108.5055	0.355	2	107.5887	0.471	10	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:2:	C-4:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(CC[6a]HH)(NCH)(CC)(H)	H(CCCN)	C(CCHN)(CH)	C(CC[6a]HH)(NCH)(CC)(H)	H(CCCN)	C(CCHN)(CH)	108.0840	0.000	1	108.0840	0.000	1	108.5055	0.355	2	107.5887	0.471	10	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:2:	C[5]-4:C-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]O[5]H)(CCC)(CC)(H)	H(CC[5]CC)	C(CC[5]CH)(CH)	C(C[5]C[5]O[5]H)(CCC)(CC)(H)	H(CC[5]CC)	C(CC[5]CH)(CH)	108.0600	0.000	1	108.0600	0.000	1	108.0600	0.000	1	107.5887	0.471	10	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:2:	C[5]-4:C[6a]-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(CC[6a])	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(CC[6a])	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	107.5887	0.471	10	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:2:	C[5]-4:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]O[5]H)(NCO)(CC)(H)	H(CC[5]CN)	C(CC[5]HN)(CH)	C(C[5]C[5]O[5]H)(NCO)(CC)(H)	H(CC[5]CN)	C(CC[5]HN)(CH)	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	107.5887	0.471	10	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:2:	C[6]-4:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(C[6]C[6]2H)(NCC)(CC)(H)	H(CC[6]CN)	C(CC[6]HN)(CC)	C(C[6]C[6]2H)(NCC)(CC)(H)	H(CC[6]CN)	C(CC[6]HN)(CC)	106.9370	0.000	1	106.9370	0.000	1	106.9370	0.000	1	107.5887	0.471	10	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:2:	Si-4:N-3:C-2:H-1:	C-4:	C-4:C-2:	C(SiC3)(NHS)(CC)(H)	H(CSiCN)	C(CSiHN)(CSi)	C(SiC3)(NHS)(CC)(H)	H(CSiCN)	C(CSiHN)(CSi)	107.2325	0.554	4	107.2325	0.307	4	107.2325	0.307	4	107.5887	0.471	10	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:3:2:1:	4:	4:3:	C[5]-4:C[6a]-3:C-2:H-1:	C-4:	C-4:C-3:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(CC[6a]O)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C[5]C)	C(CC[6a]C[5]H)(CC[6a]O)	107.3460	0.000	1	107.3460	0.000	1	107.3460	0.000	1	107.3460	0.000	1	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	2:4:	C-4:C-4:C-2:H-1:	C-4:	C-2:C-4:	C(CCHH)(CCHO)(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	C(CCHH)(CCHO)(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	107.5385	1.051	2	107.5385	1.106	2	108.0423	0.639	9	107.9148	0.608	11	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	2:4:	C-4:C-4:C-2:H-1:	C-4:	C-2:C-4:	C(CCHH)2(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	C(CCHH)2(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	107.9040	0.000	1	107.9040	0.000	1	108.0423	0.639	9	107.9148	0.608	11	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	2:4:	C-4:C-4:C-2:H-1:	C-4:	C-2:C-4:	C(CC[6a]3)(CH3)(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	C(CC[6a]3)(CH3)(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	107.1220	0.000	1	107.1220	0.000	1	108.0423	0.639	9	107.9148	0.608	11	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	2:4:	C-4:C-4:C-2:H-1:	C-4:	C-2:C-4:	C(CC[6a]HH)(CHHN)(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	C(CC[6a]HH)(CHHN)(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	108.1170	0.000	1	108.1170	0.000	1	108.0423	0.639	9	107.9148	0.608	11	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	2:4:	C-4:C-4:C-2:H-1:	C-4:	C-2:C-4:	C(CC[6a]HO)(CHHO)(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	C(CC[6a]HO)(CHHO)(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	107.9205	0.319	2	107.9205	0.102	2	108.0423	0.639	9	107.9148	0.608	11	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	2:4:	C-4:C-4:C-2:H-1:	C-4:	C-2:C-4:	C(CH3)2(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	C(CH3)2(CC)(H)	H(CC3)	C(CC[6a])(CCCH)	109.1600	0.000	2	109.1600	0.000	2	108.0423	0.639	9	107.9148	0.608	11	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	2:4:	C-4:N-4:C-2:H-1:	C-4:	C-2:C-4:	C(CH3)(NC3)(CC)(H)	H(CCCN)	C(CC[6a])(CCHN)	C(CH3)(NC3)(CC)(H)	H(CCCN)	C(CC[6a])(CCHN)	107.3410	0.397	2	107.3410	0.158	2	107.3410	0.158	2	107.9148	0.608	11	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	C-4:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(CCHH)2(CN)(H)	H(CC3)	C(CCCH)(N)	C(CCHH)2(CN)(H)	H(CC3)	C(CCCH)(N)	108.2080	0.000	1	108.2080	0.000	1	108.1624	0.581	5	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	C-4:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(CC[5]HH)(CCHN)(CN)(H)	H(CC3)	C(CCCH)(N)	C(CC[5]HH)(CCHN)(CN)(H)	H(CC3)	C(CCCH)(N)	109.1480	0.000	1	109.1480	0.000	1	108.1624	0.581	5	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	C-4:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	H(CC3)	C(CCCH)(N)	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	H(CC3)	C(CCCH)(N)	107.1520	0.000	1	107.1520	0.000	1	108.1624	0.581	5	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	C-4:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(CC[6a]HH)2(CN)(H)	H(CC3)	C(CCCH)(N)	C(CC[6a]HH)2(CN)(H)	H(CC3)	C(CCCH)(N)	107.7450	0.000	1	107.7450	0.000	1	108.1624	0.581	5	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	C-4:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(CHHP)(CH3)(CN)(H)	H(CC3)	C(CCCH)(N)	C(CHHP)(CH3)(CN)(H)	H(CC3)	C(CCCH)(N)	108.5590	0.000	1	108.5590	0.000	1	108.1624	0.581	5	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	C[5]-4:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[5]C[5]2Fe)(CCHH)(CN)(H)	H(CC[5]CC)	C(CC[5]CH)(N)	C(C[5]C[5]2Fe)(CCHH)(CN)(H)	H(CC[5]CC)	C(CC[5]CH)(N)	106.6080	0.000	1	106.6080	0.000	1	107.2550	0.837	2	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	C[5]-4:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[5]C[5]2H)(CH3)(CN)(H)	H(CC[5]CC)	C(CC[5]CH)(N)	C(C[5]C[5]2H)(CH3)(CN)(H)	H(CC[5]CC)	C(CC[5]CH)(N)	107.9020	0.000	1	107.9020	0.000	1	107.2550	0.837	2	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	C[6]-4:S-4:C-2:H-1:	C-4:	C-4:N-1:	C(C[6]C[6]2H)(SC[6a]OO)(CN)(H)	H(CC[6]CS)	C(CC[6]HS)(N)	C(C[6]C[6]2H)(SC[6a]OO)(CN)(H)	H(CC[6]CS)	C(CC[6]HS)(N)	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	P-4:C-4:C-2:H-1:	C-4:	C-4:H-1:	C(PIrCC)(CH3)(CH)(H)	H(CCCP)	C(CCHP)(H)	C(PIrCC)(CH3)(CH)(H)	H(CCCP)	C(CCHP)(H)	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	P-4:P-4:C-2:H-1:	C-4:	C-4:N-1:	C(PC[6a]2Pd)2(CN)(H)	H(CCPP)	C(CHPP)(N)	C(PC[6a]2Pd)2(CN)(H)	H(CCPP)	C(CHPP)(N)	114.0550	0.000	1	114.0550	0.000	1	110.5780	18.010	4	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	P-4:P-4:C-2:H-1:	C-4:	C-4:N-1:	C(PC[6a]2Pt)2(CN)(H)	H(CCPP)	C(CHPP)(N)	C(PC[6a]2Pt)2(CN)(H)	H(CCPP)	C(CHPP)(N)	114.2090	0.000	1	114.2090	0.000	1	110.5780	18.010	4	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	P-4:P-4:C-2:H-1:	C-4:	C-4:N-1:	C(PC[6a]2Ru)2(CN)(H)	H(CCPP)	C(CHPP)(N)	C(PC[6a]2Ru)2(CN)(H)	H(CCPP)	C(CHPP)(N)	107.0240	1.870	2	107.0240	3.495	2	110.5780	18.010	4	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	P[6]-4:P[6]-4:C-2:H-1:	C-4:	C-4:N-1:	C(P[6]O[6]2O)2(CN)(H)	H(CP[6]2C)	C(CP[6]2H)(N)	C(P[6]O[6]2O)2(CN)(H)	H(CP[6]2C)	C(CP[6]2H)(N)	108.7370	0.100	2	108.7370	0.010	2	108.7370	0.010	2	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:1:	S-4:C-4:C-2:H-1:	C-4:	C-4:N-1:	C(SC[6a]OO)(CH3)(CN)(H)	H(CCCS)	C(CCHS)(N)	C(SC[6a]OO)(CH3)(CN)(H)	H(CCCS)	C(CCHS)(N)	107.2750	0.000	1	107.2750	0.000	1	107.2750	0.000	1	108.7429	5.319	16	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	C-4:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(CCCO)(CH3)(CC)(H)	H(CC3)	C(CCCH)(CSi)	C(CCCO)(CH3)(CC)(H)	H(CC3)	C(CCCH)(CSi)	107.8940	0.000	1	107.8940	0.000	1	107.8773	0.661	7	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	C-4:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(CCHH)(CH3)(CC)(H)	H(CC3)	C(CCCH)(CH)	C(CCHH)(CH3)(CC)(H)	H(CC3)	C(CCCH)(CH)	108.8750	0.000	2	108.8750	0.000	2	107.8773	0.661	7	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	C-4:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(CCHO)(CH3)(CC)(H)	H(CC3)	C(CCCH)(CH)	C(CCHO)(CH3)(CC)(H)	H(CC3)	C(CCCH)(CH)	107.6820	0.000	2	107.6820	0.000	2	107.8773	0.661	7	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	C-4:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(CC[5]HO)(CH3)(CC)(H)	H(CC3)	C(CCCH)(CH)	C(CC[5]HO)(CH3)(CC)(H)	H(CC3)	C(CCCH)(CH)	107.6080	0.000	1	107.6080	0.000	1	107.8773	0.661	7	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	C-4:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(CC[6]HO)2(CC)(H)	H(CC3)	C(CCCH)(CC)	C(CC[6]HO)2(CC)(H)	H(CC3)	C(CCCH)(CC)	106.5250	0.000	1	106.5250	0.000	1	107.8773	0.661	7	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	C-4:C-4:C-2:H-1:	C-4:	C-4:N-2:	C(CH3)2(CN)(H)	H(CC3)	C(CCCH)(NSn)	C(CH3)2(CN)(H)	H(CC3)	C(CCCH)(NSn)	109.5605	0.506	4	109.5605	0.256	4	109.5605	0.256	4	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	C[5]-4:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	H(CC[5]CC)	C(CC[5]CH)(CC[6a])	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	H(CC[5]CC)	C(CC[5]CH)(CC[6a])	107.7080	0.000	1	107.7080	0.000	1	107.6318	0.092	5	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	C[5]-4:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[5]C[5]2H)(CH3)(CC)(H)	H(CC[5]CC)	C(CC[5]CH)(CSi)	C(C[5]C[5]2H)(CH3)(CC)(H)	H(CC[5]CC)	C(CC[5]CH)(CSi)	107.6128	0.346	4	107.6128	0.120	4	107.6318	0.092	5	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	C[6]-4:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	H(CC[6]CC)	C(CC[6]CH)(CH)	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	H(CC[6]CC)	C(CC[6]CH)(CH)	108.4120	0.071	2	108.4120	0.005	2	108.4120	0.005	2	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	C[6]-4:N-4:C-2:H-1:	C-4:	C-4:C-2:	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	H(CC[6]CN)	C(CC[6]HN)(CH)	C(C[6]C[6]2H)(NC[6a]CH)(CC)(H)	H(CC[6]CN)	C(CC[6]HN)(CH)	108.1800	0.000	1	108.1800	0.000	1	108.1800	0.000	1	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	N-4:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(NC[6a]CH)(CCHH)(CC)(H)	H(CCCN)	C(CCHN)(CH)	C(NC[6a]CH)(CCHH)(CC)(H)	H(CCCN)	C(CCHN)(CH)	107.5480	0.000	1	107.5480	0.000	1	107.5480	0.000	1	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	4:4:2:1:	4:	4:2:	S-4:C-4:C-2:H-1:	C-4:	C-4:C-2:	C(SC[6a]OO)(CH3)(CC)(H)	H(CCCS)	C(CCHS)(CH)	C(SC[6a]OO)(CH3)(CC)(H)	H(CCCS)	C(CCHS)(CH)	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	108.2187	0.773	21	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	5:2:1:1:	4:	4:1:	C-5:C-2:H-1:H-1:	C-4:	C-4:H-1:	C(CC[6]PdCH)(CH)(H)2	H(CCCH)	C(CCHH)(H)	C(CC[6]PdCH)(CH)(H)2	H(CCCH)	C(CCHH)(H)	106.1685	1.596	2	106.1685	2.547	2	106.1685	2.547	2	107.2713	2.471	4	109.4395	2.066	21550	109.4395	2.066	21550
490	951	983	0:SP3_SP-NON_SP1	C	H	C	5:2:1:1:	4:	4:1:	C-5:C-2:H-1:H-1:	C-4:	C-4:N-1:	C(CFe3C)(CN)(H)2	H(CCCH)	C(CCHH)(N)	C(CFe3C)(CN)(H)2	H(CCCH)	C(CCHH)(N)	108.3740	0.024	2	108.3740	0.001	2	108.3740	0.001	2	107.2713	2.471	4	109.4395	2.066	21550	109.4395	2.066	21550
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	3:4:1:1:	4:	4:4:1:1:	C[5]-3:Ga-4:H-1:H-1:	C-4:	C-4:C-4:Cl-1:Cl-1:	C(C[5]N[5]2)(GaCl2C)(H)2	H(CC[5]GaH)	Ga(CC[5]HH)2(Cl)2	C(C[5]N[5]2)(GaCl2C)(H)2	H(CC[5]GaH)	Ga(CC[5]HH)2(Cl)2	109.4285	0.019	2	109.4285	0.000	2	109.4285	0.000	2	109.4285	0.000	2	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	2:2:2:4:	Ga-4:H-1:H-1:H-1:	C-4:	S-2:S-2:S-2:C-4:	C(GaS3)(H)3	H(CGaHH)	Ga(SC[6a])3(CH3)	C(GaS3)(H)3	H(CGaHH)	Ga(SC[6a])3(CH3)	109.4767	0.019	3	109.4767	0.000	3	109.4767	0.000	3	109.4767	0.000	3	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	2:2:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	S-2:S-2:C-4:C-4:	C(GaCSS)(H)3	H(CGaHH)	Ga(SC[6a])2(CH3)2	C(GaCSS)(H)3	H(CGaHH)	Ga(SC[6a])2(CH3)2	109.4850	0.016	3	109.4850	0.000	3	109.4850	0.000	3	109.4866	0.001	8	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	2:2:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	Se-2:Se-2:C-4:C-4:	C(GaSe2C)(H)3	H(CGaHH)	Ga(SeC[6a])2(CH3)2	C(GaSe2C)(H)3	H(CGaHH)	Ga(SeC[6a])2(CH3)2	109.4876	0.032	5	109.4876	0.001	5	109.4876	0.001	5	109.4866	0.001	8	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	2:3:3:4:	Ga-4:H-1:H-1:H-1:	C-4:	S-2:S-3:S-3:C-4:	C(GaS3)(H)3	H(CGaHH)	Ga(SC[6a])(SCuC)2(CH3)	C(GaS3)(H)3	H(CGaHH)	Ga(SC[6a])(SCuC)2(CH3)	109.4825	0.045	2	109.4825	0.002	2	109.4825	0.002	2	109.4825	0.002	2	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:2:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	C[5]-3:O-2:C-4:C-4:	C(GaC[5]CO)(H)3	H(CGaHH)	Ga(C[5]N[5]2)(OC[6a])(CH3)2	C(GaC[5]CO)(H)3	H(CGaHH)	Ga(C[5]N[5]2)(OC[6a])(CH3)2	109.4723	0.026	8	109.4723	0.001	8	109.4723	0.001	8	109.4723	0.001	8	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:3:3:4:	Ga-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(GaC[6a]2N)(H)3	H(CGaHH)	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	C(GaC[6a]2N)(H)3	H(CGaHH)	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	109.4427	0.021	3	109.4427	0.000	3	109.4427	0.000	3	109.4427	0.000	3	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:3:4:1:	Ga-4:H-1:H-1:H-1:	C-4:	O[5]-3:N-3:C-4:Cl-1:	C(GaO[5]ClN)(H)3	H(CGaHH)	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	C(GaO[5]ClN)(H)3	H(CGaHH)	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	109.4843	0.039	3	109.4843	0.001	3	109.4843	0.001	3	109.4843	0.001	3	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:3:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	B[5a]-3:O[5]-3:C-4:C-4:	C(GaB[5a]O[5]C)(H)3	H(CGaHH)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(CH3)2	C(GaB[5a]O[5]C)(H)3	H(CGaHH)	Ga(B[5a]N[5a]2)(O[5]C[5]2)(CH3)2	109.4862	0.034	4	109.4862	0.001	4	109.4862	0.001	4	109.4757	0.001	36	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:3:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	C[5]-3:O-3:C-4:C-4:	C(GaC[5]CO)(H)3	H(CGaHH)	Ga(C[5]N[5]2)(OGaC)(CH3)2	C(GaC[5]CO)(H)3	H(CGaHH)	Ga(C[5]N[5]2)(OGaC)(CH3)2	109.4640	0.027	4	109.4640	0.001	4	109.4640	0.001	4	109.4757	0.001	36	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:3:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	N[5]-3:N[5]-3:C-4:C-4:	C(GaN[5]2C)(H)3	H(CGaHH)	Ga(N[5]C[5,6a]C[5])2(CH3)2	C(GaN[5]2C)(H)3	H(CGaHH)	Ga(N[5]C[5,6a]C[5])2(CH3)2	109.4879	0.034	13	109.4879	0.001	13	109.4879	0.001	13	109.4757	0.001	36	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:3:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	S-3:S-3:C-4:C-4:	C(GaCSS)(H)3	H(CGaHH)	Ga(SC[6a]Cu)2(CH3)2	C(GaCSS)(H)3	H(CGaHH)	Ga(SC[6a]Cu)2(CH3)2	109.4607	0.028	11	109.4607	0.001	11	109.4655	0.001	15	109.4757	0.001	36	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:3:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	S-3:S-3:C-4:C-4:	C(GaCSS)(H)3	H(CGaHH)	Ga(SCuC)2(CH3)2	C(GaCSS)(H)3	H(CGaHH)	Ga(SCuC)2(CH3)2	109.4785	0.031	4	109.4785	0.001	4	109.4655	0.001	15	109.4757	0.001	36	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:4:1:1:	Ga-4:H-1:H-1:H-1:	C-4:	N-3:C-4:Cl-1:Cl-1:	C(GaCl2N)(H)3	H(CGaHH)	Ga(NC[6a]C)(CH3)(Cl)2	C(GaCl2N)(H)3	H(CGaHH)	Ga(NC[6a]C)(CH3)(Cl)2	109.5100	0.010	2	109.5100	0.000	2	109.5100	0.000	2	109.5100	0.000	2	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:4:4:1:	Ga-4:H-1:H-1:H-1:	C-4:	N-3:C-4:C-4:Cl-1:	C(GaClCN)(H)3	H(CGaHH)	Ga(NC[6a]C)(CH3)2(Cl)	C(GaClCN)(H)3	H(CGaHH)	Ga(NC[6a]C)(CH3)2(Cl)	109.4782	0.030	5	109.4782	0.001	5	109.4782	0.001	5	109.4782	0.001	5	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:4:4:2:	Ga-4:H-1:H-1:H-1:	C-4:	C[5]-3:C-4:C-4:O-2:	C(GaC[5]CO)(H)3	H(CGaHH)	Ga(C[5]N[5]2)(CH3)2(OC)	C(GaC[5]CO)(H)3	H(CGaHH)	Ga(C[5]N[5]2)(CH3)2(OC)	109.4602	0.032	10	109.4602	0.001	10	109.4602	0.001	10	109.4634	0.001	25	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:4:4:2:	Ga-4:H-1:H-1:H-1:	C-4:	C[6]-3:C-4:C-4:O-2:	C(GaC[6]CO)(H)3	H(CGaHH)	Ga(C[6]N[6]2)(CH3)2(OC)	C(GaC[6]CO)(H)3	H(CGaHH)	Ga(C[6]N[6]2)(CH3)2(OC)	109.4683	0.007	3	109.4683	0.000	3	109.4683	0.000	3	109.4634	0.001	25	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:4:4:2:	Ga-4:H-1:H-1:H-1:	C-4:	N[6]-3:C-4:C-4:O-2:	C(GaN[6]CO)(H)3	H(CGaHH)	Ga(N[6]C[6]2)(CH3)2(OC)	C(GaN[6]CO)(H)3	H(CGaHH)	Ga(N[6]C[6]2)(CH3)2(OC)	109.4438	0.027	6	109.4438	0.001	6	109.4438	0.001	6	109.4634	0.001	25	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:4:4:2:	Ga-4:H-1:H-1:H-1:	C-4:	O-3:C-4:C-4:O-2:	C(GaCOO)(H)3	H(CGaHH)	Ga(OAlH)(CH3)2(OSi)	C(GaCOO)(H)3	H(CGaHH)	Ga(OAlH)(CH3)2(OSi)	109.4857	0.037	6	109.4857	0.001	6	109.4857	0.001	6	109.4634	0.001	25	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:4:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	C[5]-3:C-4:C-4:C-4:	C(GaC[5]CC)(H)3	H(CGaHH)	Ga(C[5]N[5]2)(CH3)3	C(GaC[5]CC)(H)3	H(CGaHH)	Ga(C[5]N[5]2)(CH3)3	109.4782	0.035	49	109.4782	0.001	49	109.4782	0.001	49	109.4775	0.001	57	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:4:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	O-3:C-4:C-4:C-4:	C(GaCCO)(H)3	H(CGaHH)	Ga(OGaC)(CH3)3	C(GaCCO)(H)3	H(CGaHH)	Ga(OGaC)(CH3)3	109.4734	0.032	8	109.4734	0.001	8	109.4734	0.001	8	109.4775	0.001	57	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	3:5:4:4:	Ga-4:H-1:H-1:H-1:	C-4:	O[5]-3:B-5:C-4:C-4:	C(GaO[5]BC)(H)3	H(CGaHH)	Ga(O[5]C[5]2)(BH4)(CH3)2	C(GaO[5]BC)(H)3	H(CGaHH)	Ga(O[5]C[5]2)(BH4)(CH3)2	109.4716	0.028	5	109.4716	0.001	5	109.4716	0.001	5	109.4716	0.001	5	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	4:4:1:1:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:C-4:Cl-1:Cl-1:	C(GaCl2C)(H)3	H(CGaHH)	Ga(CH3)2(Cl)2	C(GaCl2C)(H)3	H(CGaHH)	Ga(CH3)2(Cl)2	109.4681	0.034	8	109.4681	0.001	8	109.4681	0.001	8	109.4681	0.001	8	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	4:4:2:1:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:C-4:O-2:Cl-1:	C(GaClCO)(H)3	H(CGaHH)	Ga(CH3)2(OC)(Cl)	C(GaClCO)(H)3	H(CGaHH)	Ga(CH3)2(OC)(Cl)	109.4605	0.018	4	109.4605	0.000	4	109.4605	0.000	4	109.4605	0.000	4	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	4:4:2:2:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:C-4:O-2:O-2:	C(GaCOO)(H)3	H(CGaHH)	Ga(CH3)2(OC)2	C(GaCOO)(H)3	H(CGaHH)	Ga(CH3)2(OC)2	109.4858	0.035	9	109.4858	0.001	9	109.4858	0.001	9	109.4858	0.001	9	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:1:1:1:	4:	4:4:4:3:	Ga-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-3:	C(GaC3)(H)3	H(CGaHH)	Ga(CH3)3(CPP)	C(GaC3)(H)3	H(CGaHH)	Ga(CH3)3(CPP)	109.4678	0.021	5	109.4678	0.000	5	109.4678	0.000	5	109.4678	0.000	5	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:4:1:1:	4:	3:4:4:2:	Ga-4:C-4:H-1:H-1:	C-4:	N[6]-3:C-4:C-4:C-2:	C(GaN[6]CC)(CH3)(H)2	H(CGaCH)	Ga(N[6]C[6]2)(CCHH)2(CC)	C(GaN[6]CC)(CH3)(H)2	H(CGaCH)	Ga(N[6]C[6]2)(CCHH)2(CC)	108.3270	0.424	4	108.3270	0.179	4	108.3270	0.179	4	108.3270	0.179	4	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:4:1:1:	4:	3:4:4:4:	Ga-4:Si-4:H-1:H-1:	C-4:	C[5]-3:C-4:C-4:C-4:	C(GaC[5]CC)(SiC3)(H)2	H(CGaSiH)	Ga(C[5]C[5]N[5])(CSiHH)3	C(GaC[5]CC)(SiC3)(H)2	H(CGaSiH)	Ga(C[5]C[5]N[5])(CSiHH)3	107.2258	0.450	5	107.2258	0.202	5	107.2258	0.202	5	107.2258	0.202	5	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:4:1:1:	4:	4:4:1:1:	Ga-4:C-4:H-1:H-1:	C-4:	P-4:C-4:Cl-1:Cl-1:	C(GaCl2P)(CCHH)(H)2	H(CGaCH)	Ga(PC[6a]2C)(CCHH)(Cl)2	C(GaCl2P)(CCHH)(H)2	H(CGaCH)	Ga(PC[6a]2C)(CCHH)(Cl)2	108.9500	0.071	2	108.9500	0.005	2	108.9500	0.005	2	108.9500	0.005	2	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:4:1:1:	4:	4:4:2:2:	Ga-4:C-4:H-1:H-1:	C-4:	C-4:C-4:O-2:O-2:	C(GaCOO)(CH3)(H)2	H(CGaCH)	Ga(CCHH)2(OP)2	C(GaCOO)(CH3)(H)2	H(CGaCH)	Ga(CCHH)2(OP)2	109.3329	5.045	8	109.3329	25.453	8	109.3329	25.453	8	109.3329	25.453	8	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:4:1:1:	4:	4:4:3:3:	Ga-4:C-4:H-1:H-1:	C-4:	C-4:C-4:S-3:S-3:	C(GaCSS)(CH3)(H)2	H(CGaCH)	Ga(CCHH)2(SCuC)2	C(GaCSS)(CH3)(H)2	H(CGaCH)	Ga(CCHH)2(SCuC)2	108.3839	0.529	7	108.3839	0.280	7	108.3839	0.280	7	108.3839	0.280	7	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:4:1:1:	4:	4:4:4:1:	Ga-4:N-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Cl-1:	C(GaClCC)(NCCH)(H)2	H(CGaHN)	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(NCCH)(H)2	H(CGaHN)	Ga(CHHN)(CC3)2(Cl)	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:4:1:1:	4:	4:4:4:4:	Ga-4:Si-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(GaC3)(SiC3)(H)2	H(CGaSiH)	Ga(CSiHH)4	C(GaC3)(SiC3)(H)2	H(CGaSiH)	Ga(CSiHH)4	107.7137	0.499	15	107.7137	0.249	15	107.7137	0.249	15	107.7137	0.249	15	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:4:4:1:	4:	4:4:2:2:	Ga-4:Si-4:Si-4:H-1:	C-4:	C-4:C-4:O-2:O-2:	C(GaCOO)(SiC3)2(H)	H(CGaSi2)	Ga(CSi2H)2(OLi)2	C(GaCOO)(SiC3)2(H)	H(CGaSi2)	Ga(CSi2H)2(OLi)2	104.2900	1.379	2	104.2900	1.901	2	104.2900	1.901	2	104.2900	1.901	2	109.1686	1.381	233	109.1686	1.381	233
490	951	984	0:SP3_SP-NON_SP-NON	C	H	Ga	4:4:4:1:	4:	4:4:3:3:	Ga-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-3:S-3:	C(GaCSS)(CH3)2(H)	H(CGaCC)	Ga(CCCH)2(SCuC)2	C(GaCSS)(CH3)2(H)	H(CGaCC)	Ga(CCCH)2(SCuC)2	107.6345	0.165	4	107.6345	0.027	4	107.6345	0.027	4	107.6345	0.027	4	109.1686	1.381	233	109.1686	1.381	233
490	951	990	0:SP3_SP-NON_SP2	C	H	As	2:1:1:1:	4:	3:4:	As-2:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:	C(AsC[6a])(H)3	H(CAsHH)	As(C[6a]C[6a]2)(CH3)	C(AsC[6a])(H)3	H(CAsHH)	As(C[6a]C[6a]2)(CH3)	109.4145	0.029	2	109.4145	0.001	2	109.4145	0.001	2	109.4145	0.001	2	102.6210	8.855	34	102.6210	8.855	34
490	951	990	0:SP3_SP-NON_SP2	C	H	As	3:4:2:1:	4:	4:3:	C[6]-3:C-4:As-2:H-1:	C-4:	C-4:N-3:	C(C[6]N[6]2)(CCHH)(AsN)(H)	H(CC[6]AsC)	As(CC[6]CH)(NC[6a]H)	C(C[6]N[6]2)(CCHH)(AsN)(H)	H(CC[6]AsC)	As(CC[6]CH)(NC[6a]H)	104.6020	0.000	1	104.6020	0.000	1	104.6020	0.000	1	104.6020	0.000	1	102.6210	8.855	34	102.6210	8.855	34
490	951	990	0:SP3_SP-NON_SP2	C	H	As	4:4:2:1:	4:	4:4:	Si-4:Si-4:As-2:H-1:	C-4:	C-4:C-4:	C(SiC3)2(AsC)(H)	H(CAsSi2)	As(CSi2H)2	C(SiC3)2(AsC)(H)	H(CAsSi2)	As(CSi2H)2	102.1188	2.504	31	102.1188	6.272	31	102.1188	6.272	31	102.1188	6.272	31	102.6210	8.855	34	102.6210	8.855	34
490	951	991	0:SP3_SP-NON_SP-NON	C	H	Br	2:4:4:1:	4:	6:4:	Br-2:C-4:C-4:H-1:	C-4:	B[5x3,5x5,20x6]-6:C-4:	C(BrB[5x3,5x5,20x6])(CH3)2(H)	H(CBrCC)	Br(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCCH)	C(BrB[5x3,5x5,20x6])(CH3)2(H)	H(CBrCC)	Br(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCCH)	97.0487	0.000	1	97.0487	0.000	1	97.0487	0.000	1	97.0487	0.000	1	97.0487	0.000	1	97.0487	0.000	1
490	951	992	0:SP3_SP-NON_SP3	C	H	P	2:4:1:1:	4:	4:2:2:1:	O-2:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(OC[6a])(PO3)(H)2	H(CHOP)	P(CHHO)(OC)2(O)	C(OC[6a])(PO3)(H)2	H(CHOP)	P(CHHO)(OC)2(O)	110.1983	0.366	6	110.1983	0.134	6	110.1983	0.134	6	110.1983	0.134	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	2:4:1:1:	4:	4:4:4:1:	N-2:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Se-1:	C(NC[6a])(PSeCC)(H)2	H(CHNP)	P(CHHN)3(Se)	C(NC[6a])(PSeCC)(H)2	H(CHNP)	P(CHHN)3(Se)	109.3280	0.641	6	109.3280	0.410	6	109.3280	0.410	6	109.0109	0.363	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	2:4:1:1:	4:	4:4:4:1:	O-2:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(OC[6a])(PCCO)(H)2	H(CHOP)	P(CHHO)(CH3)2(O)	C(OC[6a])(PCCO)(H)2	H(CHOP)	P(CHHO)(CH3)2(O)	108.9806	0.547	7	108.9806	0.299	7	108.9806	0.299	7	109.0109	0.363	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	2:4:1:1:	4:	4:4:4:1:	O-2:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(OP[6])(PCCS)(H)2	H(CHOP)	P(CC[5]HH)(CHHO)2(S)	C(OP[6])(PCCS)(H)2	H(CHOP)	P(CC[5]HH)(CHHO)2(S)	108.4473	0.132	3	108.4473	0.017	3	108.4473	0.017	3	109.0109	0.363	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	2:4:1:1:	4:	4:4:4:4:	O-2:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(OB[6,6])(PC3)(H)2	H(CHOP)	P(CHHO)(CC3)3	C(OB[6,6])(PC3)(H)2	H(CHOP)	P(CHHO)(CC3)3	109.3645	0.012	2	109.3645	0.000	2	109.3645	0.000	2	109.3645	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	2:4:4:1:	4:	4:2:1:1:	S-2:P-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(SC[5])(PO3)2(H)	H(CPPS)	P(CHPS)(OH)(O)2	C(SC[5])(PO3)2(H)	H(CPPS)	P(CHPS)(OH)(O)2	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	2:4:4:1:	4:	4:2:2:1:	S-2:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(SC[5])(PO3)2(H)	H(CPPS)	P(CHPS)(OH)2(O)	C(SC[5])(PO3)2(H)	H(CPPS)	P(CHPS)(OH)2(O)	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	107.9620	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	3:3:3:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)2(PC[6a]3)(H)	H(CC[6a]2P)	P(C[6a]C[6a]2)3(CC[6a]2H)	C(C[6a]C[6a]2)2(PC[6a]3)(H)	H(CC[6a]2P)	P(C[6a]C[6a]2)3(CC[6a]2H)	104.9850	0.000	1	104.9850	0.000	1	104.9850	0.000	1	104.9850	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	3:4:4:4:	C[6a]-3:C[6a]-3:P-4:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)2(PC[6a]CC)(H)	H(CC[6a]2P)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)2	C(C[6a]C[6a]2)2(PC[6a]CC)(H)	H(CC[6a]2P)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)2	105.6910	0.000	1	105.6910	0.000	1	105.6910	0.000	1	105.6910	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:2:1:1:	C[6a]-3:N-3:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(NC[6]H)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a]2)(NC[6]H)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)(O)2	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:2:2:1:	C[5a]-3:C[6a]-3:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	H(CC[5a]C[6a]P)	P(CC[5a]C[6a]H)(OC[6a])2(O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(PO3)(H)	H(CC[5a]C[6a]P)	P(CC[5a]C[6a]H)(OC[6a])2(O)	107.2830	0.000	1	107.2830	0.000	1	107.2830	0.000	1	107.6238	0.542	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:2:2:1:	C[6a]-3:C-3:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CC[3]O)(PO3)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6a]2)(CC[3]O)(PO3)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OC)2(O)	107.5950	0.000	1	107.5950	0.000	1	107.5950	0.000	1	107.6238	0.542	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[5]H)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(NC[5]H)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	107.7200	0.000	1	107.7200	0.000	1	107.7560	0.352	19	107.6238	0.542	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	107.9425	0.447	8	107.9425	0.200	8	107.7560	0.352	19	107.6238	0.542	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)(OH)(O)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)(OH)(O)	107.2690	0.000	1	107.2690	0.000	1	107.7560	0.352	19	107.6238	0.542	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:2:2:1:	C[6a]-3:N-3:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(NC[6a]H)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	107.6483	0.735	9	107.6483	0.540	9	107.7560	0.352	19	107.6238	0.542	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:2:2:1:	N[5a]-3:C[6a]-3:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	H(CC[6a]N[5a]P)	P(CC[6a]N[5a]H)(OC)2(O)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(PO3)(H)	H(CC[6a]N[5a]P)	P(CC[6a]N[5a]H)(OC)2(O)	105.4820	0.000	1	105.4820	0.000	1	105.4820	0.000	1	107.6238	0.542	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:3:3:1:	C[6a]-3:N[5]-3:P-4:H-1:	C-4:	C-4:C[6a]-3:C[6a]-3:O-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	H(CC[6a]N[5]P)	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	H(CC[6a]N[5]P)	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	105.4570	0.000	1	105.4570	0.000	1	105.4570	0.000	1	106.1133	0.660	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:3:3:1:	N[5]-3:C[6a]-3:P-4:H-1:	C-4:	C-4:C[6a]-3:C[6a]-3:O-1:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	H(CC[6a]N[5]P)	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	H(CC[6a]N[5]P)	P(CC[6a]N[5]H)(C[6a]C[6a]2)2(O)	106.4415	0.821	2	106.4415	0.674	2	106.4415	0.674	2	106.1133	0.660	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:4:4:1:	C[6a]-3:C[6a]-3:P-4:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)2(PCCH)(H)	H(CC[6a]2P)	P(CC[6a]2H)(CC3)2(H)	C(C[6a]C[6a]2)2(PCCH)(H)	H(CC[6a]2P)	P(CC[6a]2H)(CC3)2(H)	106.1430	0.000	1	106.1430	0.000	1	106.1430	0.000	1	106.1430	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:3:4:1:	4:	4:4:4:4:	C[6a]-3:C[5]-3:P-4:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	H(CC[6a]C[5]P)	P(CC[6a]C[5]H)(CCHH)3	C(C[6a]C[6a]2)(C[5]C[5]2)(PC3)(H)	H(CC[6a]C[5]P)	P(CC[6a]C[5]H)(CCHH)3	105.3950	0.000	1	105.3950	0.000	1	105.3950	0.000	1	105.3950	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:3:4:	C[6]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]2)(PC[6a]3)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)3(CC[6]HH)	C(C[6]C[6]2)(PC[6a]3)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)3(CC[6]HH)	108.6220	3.899	2	108.6220	15.202	2	108.6220	15.202	2	108.0267	3.679	181	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:3:4:	C[6]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(C[6]C[6]N[6])(PC[6a]2N)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(NC[6a]Ni)(CC[6]HH)	C(C[6]C[6]N[6])(PC[6a]2N)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(NC[6a]Ni)(CC[6]HH)	110.2240	0.013	2	110.2240	0.000	2	110.2240	0.000	2	108.0267	3.679	181	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:3:4:	C[6a]-3:P-4:F-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(F)(H)	H(CC[6a]FP)	P(C[6a]C[6a]2)3(CC[6a]FH)	C(C[6a]C[6a]2)(PC[6a]3)(F)(H)	H(CC[6a]FP)	P(C[6a]C[6a]2)3(CC[6a]FH)	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	108.0267	3.679	181	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a,6a]C[6a])(PC[6a]3)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)3(CC[6a]HH)	102.4429	2.790	4	102.4429	7.786	4	107.9896	3.631	176	108.0267	3.679	181	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:3:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)3(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]3)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)3(CC[6a]HH)	108.1186	1.686	172	108.1186	2.843	172	107.9896	3.631	176	108.0267	3.679	181	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[5a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[5a]C[5a]N[5a])(PC[6a]2O)(H)2	H(CC[5a]HP)	P(C[6a]C[6a]2)2(CC[5a]HH)(O)	C(C[5a]C[5a]N[5a])(PC[6a]2O)(H)2	H(CC[5a]HP)	P(C[6a]C[6a]2)2(CC[5a]HH)(O)	109.2580	0.000	2	109.2580	0.000	2	109.2580	0.000	2	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]2)(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[6]2)(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	109.0035	0.019	2	109.0035	0.000	2	109.0004	0.673	14	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	108.9998	0.892	12	108.9998	0.796	12	109.0004	0.673	14	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6]-3:C[6]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6]2O)(H)2	H(CC[6a]HP)	P(C[6]C[6]N[6])2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6]2O)(H)2	H(CC[6a]HP)	P(C[6]C[6]N[6])2(CC[6a]HH)(O)	109.0740	0.071	4	109.0740	0.005	4	109.0740	0.005	4	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:F-1:	C(C[6a]C[6a]N[6a])(PC[6a]2F)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(F)	C(C[6a]C[6a]N[6a])(PC[6a]2F)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(F)	108.8925	0.498	4	108.8925	0.248	4	108.8925	0.248	4	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[5,6a]C[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[5,6a]C[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	108.6047	0.300	4	108.6047	0.090	4	108.8964	0.691	39	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[5a,6a]C[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	109.3212	0.509	4	109.3212	0.259	4	108.8964	0.691	39	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	108.7491	0.929	22	108.7491	0.862	22	108.8964	0.691	39	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	C(C[6a]C[6a]N[6a])(PC[6a]2O)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(O)	109.1972	0.770	9	109.1972	0.593	9	108.8964	0.691	39	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]2S)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	C(C[6a]C[6a]2)(PC[6a]2S)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	109.1955	0.019	4	109.1955	0.000	4	109.0663	0.029	7	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	C(C[6a]C[6a]N[6a])(PC[6a]2S)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(S)	108.8940	0.095	3	108.8940	0.009	3	109.0663	0.029	7	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(Se)	C(C[6a]C[6a]2)(PC[6a]2Se)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(Se)	108.1958	0.882	6	108.1958	0.779	6	108.3612	0.650	8	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(Se)	C(C[6a]C[6a]N[6a])(PC[6a]2Se)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(Se)	108.8575	0.006	2	108.8575	0.000	2	108.3612	0.650	8	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:1:	N[6]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(N[6]C[6]2)(PC[6a]2O)(H)2	H(CN[6]HP)	P(C[6a]C[6a]2)2(CN[6]HH)(O)	C(N[6]C[6]2)(PC[6a]2O)(H)2	H(CN[6]HP)	P(C[6a]C[6a]2)2(CN[6]HH)(O)	108.1870	0.021	2	108.1870	0.000	2	108.1870	0.000	2	108.8759	0.563	80	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:2:	C[5]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(C[5]C[5]N[5])(PC[6a]2N)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(NSi)	C(C[5]C[5]N[5])(PC[6a]2N)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(NSi)	109.0770	0.006	2	109.0770	0.000	2	109.0770	0.000	2	108.9589	0.039	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:2:	C[5]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(OCo)	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(OCo)	109.3060	0.000	1	109.3060	0.000	1	109.0000	0.070	3	108.9589	0.039	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:2:	C[5]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(ONi)	C(C[5]N[5]O[5])(PC[6a]2O)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(ONi)	108.8470	0.013	2	108.8470	0.000	2	109.0000	0.070	3	108.9589	0.039	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:2:	C[5a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(C[5a]C[5a]N[5a])(PC[6a]2O)(H)2	H(CC[5a]HP)	P(C[6a]C[6a]2)2(CC[5a]HH)(OZn)	C(C[5a]C[5a]N[5a])(PC[6a]2O)(H)2	H(CC[5a]HP)	P(C[6a]C[6a]2)2(CC[5a]HH)(OZn)	108.9153	0.115	8	108.9153	0.013	8	108.9153	0.013	8	108.9589	0.039	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:2:	C[6]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(ONi)	C(C[6]C[6]N[6])(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(ONi)	109.0195	0.029	2	109.0195	0.001	2	109.0195	0.001	2	108.9589	0.039	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:2:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(C[6a]C[6a]2)(PC[6a]2N)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(NC[6a])	C(C[6a]C[6a]2)(PC[6a]2N)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(NC[6a])	108.6045	0.025	2	108.6045	0.001	2	108.6045	0.001	2	108.9589	0.039	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:2:	N[6]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(N[6]C[6]2)(PC[6a]2O)(H)2	H(CN[6]HP)	P(C[6a]C[6a]2)2(CN[6]HH)(OCu)	C(N[6]C[6]2)(PC[6a]2O)(H)2	H(CN[6]HP)	P(C[6a]C[6a]2)2(CN[6]HH)(OCu)	109.2475	0.029	2	109.2475	0.001	2	109.2475	0.001	2	108.9589	0.039	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:4:	C[5]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[5]N[5]O[5])(PC[6a]2C)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(CH3)	C(C[5]N[5]O[5])(PC[6a]2C)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(CH3)	109.6025	0.067	2	109.6025	0.005	2	109.0673	0.384	4	108.9388	0.499	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:4:	C[5]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[5]N[5]S[5])(PC[6a]2C)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(CH3)	C(C[5]N[5]S[5])(PC[6a]2C)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(CH3)	108.5320	0.016	2	108.5320	0.000	2	109.0673	0.384	4	108.9388	0.499	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2B)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(BH3)	C(C[6a]C[6a]2)(PC[6a]2B)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(BH3)	109.1910	0.052	2	109.1910	0.003	2	109.1910	0.003	2	108.9388	0.499	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CBCH)	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CBCH)	107.4565	0.032	2	107.4565	0.001	2	108.2654	0.311	8	108.9388	0.499	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(PC[6a]2C)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CCHH)	108.6750	0.059	2	108.6750	0.004	2	108.2654	0.311	8	108.9388	0.499	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(PC[6a]2C)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]N[6a])(PC[6a]2C)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CH3)	108.4650	0.350	4	108.4650	0.122	4	108.2654	0.311	8	108.9388	0.499	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:4:	Ge[6]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(Ge[6]P[6]2)(PC[6a]2B)(H)2	H(CGe[6]HP)	P(C[6a]C[6a]2)2(CGe[6]HH)(BH3)	C(Ge[6]P[6]2)(PC[6a]2B)(H)2	H(CGe[6]HP)	P(C[6a]C[6a]2)2(CGe[6]HH)(BH3)	108.9210	0.165	2	108.9210	0.027	2	108.9210	0.027	2	108.9388	0.499	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:4:	P[5]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(P[5]C[5,6a]2)(PC[6a]2B)(H)2	H(CP[5]HP)	P(C[6a]C[6a]2)2(CP[5]HH)(BH3)	C(P[5]C[5,6a]2)(PC[6a]2B)(H)2	H(CP[5]HP)	P(C[6a]C[6a]2)2(CP[5]HH)(BH3)	109.6025	0.027	4	109.6025	0.001	4	109.6730	0.012	6	108.9388	0.499	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:3:4:4:	P[5]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(P[5]C[5]2)(PC[6a]2B)(H)2	H(CP[5]HP)	P(C[6a]C[6a]2)2(CP[5]HH)(BH3)	C(P[5]C[5]2)(PC[6a]2B)(H)2	H(CP[5]HP)	P(C[6a]C[6a]2)2(CP[5]HH)(BH3)	109.8140	0.021	2	109.8140	0.000	2	109.6730	0.012	6	108.9388	0.499	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:1:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:H-1:O-1:	C(C[6a]C[6a]2)(PC[6a]HO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(H)(O)	C(C[6a]C[6a]2)(PC[6a]HO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(H)(O)	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(PC[6a]OO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(PC[6a]OO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	110.0255	0.018	2	110.0255	0.000	2	109.1558	0.204	13	109.1558	0.204	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	109.2493	0.277	3	109.2493	0.077	3	109.1558	0.204	13	109.1558	0.204	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(OC[6])(O)	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(OC[6])(O)	108.9648	0.174	6	108.9648	0.030	6	109.1558	0.204	13	109.1558	0.204	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(OH)(O)	C(C[6a]C[6a]2)(PC[6a]OO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(OH)(O)	108.7190	0.024	2	108.7190	0.001	2	109.1558	0.204	13	109.1558	0.204	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:B-4:H-1:	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(H)	C(C[6a]C[6a,6a]C[6a])(PC[6a]BH)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(H)	108.5790	0.145	4	108.5790	0.021	4	108.5790	0.021	4	108.4103	0.114	11	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-1:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(B)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(B)	108.0860	0.045	3	108.0860	0.002	3	108.0860	0.002	3	108.4103	0.114	11	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]CO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(O)	C(C[6a]C[6a]2)(PC[6a]CO)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(O)	108.8785	0.015	2	108.8785	0.000	2	108.8785	0.000	2	108.4103	0.114	11	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]CS)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	C(C[6a]C[6a]2)(PC[6a]CS)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	108.0910	0.018	2	108.0910	0.000	2	108.0910	0.000	2	108.4103	0.114	11	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:4:4:	C-3:P-4:H-1:H-1:	C-4:	N-3:C-4:C-4:C-4:	C(CC[6a]N)(PCCN)(H)2	H(CCHP)	P(NC[6a]Ni)(CCCH)2(CCHH)	C(CC[6a]N)(PCCN)(H)2	H(CCHP)	P(NC[6a]Ni)(CCCH)2(CCHH)	107.8005	0.005	4	107.8005	0.000	4	107.8005	0.000	4	108.4904	0.235	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:B-4:C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(CC3)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(CC3)	108.5058	0.102	8	108.5058	0.010	8	108.5058	0.010	8	108.4904	0.235	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(C[6a]C[6a,6a]C[6a])(PC[6a]BC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)2(BH3)	C(C[6a]C[6a,6a]C[6a])(PC[6a]BC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)2(BH3)	108.5740	0.282	4	108.5740	0.079	4	108.3113	0.151	14	108.4904	0.235	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	C(C[6a]C[6a]2)(PC[6a]BC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	108.0085	0.080	4	108.0085	0.006	4	108.3113	0.151	14	108.4904	0.235	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(C[6a]C[6a]N[6a])(PC[6a]BC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	C(C[6a]C[6a]N[6a])(PC[6a]BC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	108.3380	0.460	6	108.3380	0.212	6	108.3113	0.151	14	108.4904	0.235	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	3:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]CC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	C(C[6a]C[6a]2)(PC[6a]CC)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	109.1333	0.088	8	109.1333	0.008	8	109.1333	0.008	8	108.4904	0.235	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:1:1:1:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:H-1:O-1:O-1:	C(N[5]C[5]2)(PHOO)(H)2	H(CN[5]HP)	P(CN[5]HH)(H)(O)2	C(N[5]C[5]2)(PHOO)(H)2	H(CN[5]HP)	P(CN[5]HH)(H)(O)2	109.1570	0.010	2	109.1570	0.000	2	109.1570	0.000	2	109.1570	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:1:1:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6]C[6]2)(PO3)(H)2	H(CC[6]HP)	P(CC[6]HH)(OH)(O)2	C(C[6]C[6]2)(PO3)(H)2	H(CC[6]HP)	P(CC[6]HH)(OH)(O)2	108.6840	0.014	2	108.6840	0.000	2	108.6127	0.015	3	108.4252	0.395	57	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:1:1:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6]C[6]N[6])(PO3)(H)2	H(CC[6]HP)	P(CC[6]HH)(OC)(O)2	C(C[6]C[6]N[6])(PO3)(H)2	H(CC[6]HP)	P(CC[6]HH)(OC)(O)2	108.4700	0.000	1	108.4700	0.000	1	108.6127	0.015	3	108.4252	0.395	57	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)(O)2	109.0020	0.014	2	109.0020	0.000	2	108.3881	0.202	50	108.4252	0.395	57	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)(O)2	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)(O)2	108.0080	0.017	2	108.0080	0.000	2	108.3881	0.202	50	108.4252	0.395	57	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)(O)2	108.1967	0.163	4	108.1967	0.027	4	108.3881	0.202	50	108.4252	0.395	57	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)(O)2	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)(O)2	108.3530	0.016	2	108.3530	0.000	2	108.3881	0.202	50	108.4252	0.395	57	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:1:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)(O)2	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)(O)2	108.3973	0.471	40	108.3973	0.222	40	108.3881	0.202	50	108.4252	0.395	57	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:1:1:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(N[6]C[6]2)(PO3)(H)2	H(CN[6]HP)	P(CN[6]HH)(OH)(O)2	C(N[6]C[6]2)(PO3)(H)2	H(CN[6]HP)	P(CN[6]HH)(OH)(O)2	108.7490	1.964	4	108.7490	3.858	4	108.7490	3.858	4	108.4252	0.395	57	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CN[5]O)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	C(CN[5]O)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	108.4280	0.013	2	108.4280	0.000	2	108.4280	0.000	2	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[5]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[5]C[5]N[5])(PO3)(H)2	H(CC[5]HP)	P(CC[5]HH)(OC)2(O)	C(C[5]C[5]N[5])(PO3)(H)2	H(CC[5]HP)	P(CC[5]HH)(OC)2(O)	108.9030	0.006	2	108.9030	0.000	2	108.9030	0.000	2	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[5a]C[5a]S[5a])(PO3)(H)2	H(CC[5a]HP)	P(CC[5a]HH)(OH)2(O)	C(C[5a]C[5a]S[5a])(PO3)(H)2	H(CC[5a]HP)	P(CC[5a]HH)(OH)2(O)	108.5190	0.011	2	108.5190	0.000	2	108.9077	0.781	4	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[5a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[5a]N[5a]O[5a])(PO3)(H)2	H(CC[5a]HP)	P(CC[5a]HH)(OH)2(O)	C(C[5a]N[5a]O[5a])(PO3)(H)2	H(CC[5a]HP)	P(CC[5a]HH)(OH)2(O)	109.2965	1.319	2	109.2965	1.739	2	108.9077	0.781	4	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]2)(PO3)(H)2	H(CC[6]HP)	P(CC[6]HH)(OC)2(O)	C(C[6]C[6]2)(PO3)(H)2	H(CC[6]HP)	P(CC[6]HH)(OC)2(O)	108.7214	0.282	8	108.7214	0.079	8	108.7288	0.117	14	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]2)(PO3)(H)2	H(CC[6]HP)	P(CC[6]HH)(OH)2(O)	C(C[6]C[6]2)(PO3)(H)2	H(CC[6]HP)	P(CC[6]HH)(OH)2(O)	109.0215	0.053	4	109.0215	0.003	4	108.7288	0.117	14	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]N[6])(PO3)(H)2	H(CC[6]HP)	P(CC[6]HH)(OH)2(O)	C(C[6]C[6]N[6])(PO3)(H)2	H(CC[6]HP)	P(CC[6]HH)(OH)2(O)	108.1730	0.011	2	108.1730	0.000	2	108.7288	0.117	14	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:C-2:O-1:	C(C[6a]C[6a]2)(PCOO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC[6])(CC)(O)	C(C[6a]C[6a]2)(PCOO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC[6])(CC)(O)	108.5920	0.037	2	108.5920	0.001	2	108.5920	0.001	2	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)2(O)	108.6180	0.025	2	108.6180	0.001	2	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)(OH)(O)	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)(OH)(O)	109.1595	0.021	2	109.1595	0.000	2	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)2(O)	108.7620	0.007	2	108.7620	0.000	2	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCu)(OC)(O)	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCu)(OC)(O)	108.6560	0.013	2	108.6560	0.000	2	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)2(O)	105.1495	0.832	4	105.1495	0.693	4	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a,6a]C[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)2(O)	108.3976	0.407	7	108.3976	0.166	7	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)(OH)(O)	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)(OH)(O)	109.6500	0.031	2	109.6500	0.001	2	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC)2(O)	108.7979	0.376	23	108.7979	0.142	23	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCd)(OH)(O)	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCd)(OH)(O)	108.4740	0.034	2	108.4740	0.001	2	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCu)(OH)(O)	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCu)(OH)(O)	108.6745	0.081	2	108.6745	0.007	2	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)2(O)	108.7561	0.353	26	108.7561	0.125	26	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(ONi)(OH)(O)	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(ONi)(OH)(O)	108.4645	0.182	4	108.4645	0.033	4	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]N[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)2(O)	C(C[6a]C[6a]N[6a])(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)2(O)	105.8630	0.134	2	105.8630	0.018	2	108.4870	0.960	80	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:1:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(N[5]C[5]2)(PO3)(H)2	H(CN[5]HP)	P(CN[5]HH)(OH)2(O)	C(N[5]C[5]2)(PO3)(H)2	H(CN[5]HP)	P(CN[5]HH)(OH)2(O)	108.8340	0.040	2	108.8340	0.002	2	108.8340	0.002	2	108.5501	0.776	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:2:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCu)2(OC)	C(C[6a]C[6a,6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCu)2(OC)	107.7475	0.028	2	107.7475	0.001	2	108.2209	1.360	14	108.3160	1.246	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:2:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCd)(OH)2	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCd)(OH)2	108.5240	0.016	2	108.5240	0.000	2	108.2209	1.360	14	108.3160	1.246	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:2:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCu)2(OH)	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OCu)2(OH)	108.5750	0.210	4	108.5750	0.044	4	108.2209	1.360	14	108.3160	1.246	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:2:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)3	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OH)3	105.7525	0.702	2	105.7525	0.493	2	108.2209	1.360	14	108.3160	1.246	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:2:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(ONi)(OH)2	C(C[6a]C[6a]2)(PO3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(ONi)(OH)2	109.1863	0.036	4	109.1863	0.001	4	108.2209	1.360	14	108.3160	1.246	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:2:2:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(N[5]C[5]2)(PO3)(H)2	H(CN[5]HP)	P(CN[5]HH)(OIn)(OC)2	C(N[5]C[5]2)(PO3)(H)2	H(CN[5]HP)	P(CN[5]HH)(OIn)(OC)2	108.9815	0.028	2	108.9815	0.001	2	108.9815	0.001	2	108.3160	1.246	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:C-4:O-1:	C(C[6a]C[6a]2)(PCOO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC[6])(CHHN)(O)	C(C[6a]C[6a]2)(PCOO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC[6])(CHHN)(O)	108.2635	0.023	2	108.2635	0.001	2	108.2635	0.001	2	108.7843	0.362	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:4:1:	N-3:P-4:H-1:H-1:	C-4:	C-4:O-2:C-4:O-1:	C(NC[6]C)(PCOO)(H)2	H(CHNP)	P(CC[6a]HH)(OC[6])(CHHN)(O)	C(NC[6]C)(PCOO)(H)2	H(CHNP)	P(CC[6a]HH)(OC[6])(CHHN)(O)	109.3050	0.018	2	109.3050	0.000	2	109.3050	0.000	2	108.7843	0.362	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:2:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:O-2:B-4:C-4:	C(C[6a]C[6a]2)(PBCO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC[3x6])(BH3)(CC3)	C(C[6a]C[6a]2)(PBCO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(OC[3x6])(BH3)(CC3)	108.5895	0.032	2	108.5895	0.001	2	108.5895	0.001	2	108.5895	0.001	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:1:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:H-1:O-1:	C(C[6a]C[6a]2)(PCHO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)2(H)(O)	C(C[6a]C[6a]2)(PCHO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)2(H)(O)	109.2567	0.214	3	109.2567	0.046	3	109.2567	0.046	3	108.9653	0.282	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:1:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:Se-1:H-1:	C(C[6a]C[6a]2)(PSeCH)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CC3)(Se)(H)	C(C[6a]C[6a]2)(PSeCH)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CC3)(Se)(H)	108.4440	0.059	4	108.4440	0.003	4	108.4440	0.003	4	108.9653	0.282	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:1:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6]-4:C-4:H-1:O-1:	C(C[6a]C[6a]2)(PC[6]HO)(H)2	H(CC[6a]HP)	P(C[6]C[6]2H)(CC[6a]HH)(H)(O)	C(C[6a]C[6a]2)(PC[6]HO)(H)2	H(CC[6a]HP)	P(C[6]C[6]2H)(CC[6a]HH)(H)(O)	109.6860	0.007	2	109.6860	0.000	2	109.6860	0.000	2	108.9653	0.282	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:1:1:	N[5]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:O-1:O-1:	C(N[5]C[5]2)(PCOO)(H)2	H(CN[5]HP)	P(CN[5]HH)(CHHN)(O)2	C(N[5]C[5]2)(PCOO)(H)2	H(CN[5]HP)	P(CN[5]HH)(CHHN)(O)2	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	108.9653	0.282	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:2:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PCOO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CH3)(OH)(O)	C(C[6a]C[6a]2)(PCOO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CH3)(OH)(O)	108.2450	0.017	2	108.2450	0.000	2	108.2450	0.000	2	108.2450	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:B-4:C-4:Cl-1:	C(C[6a]C[6a]2)(PClBC)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(BH3)(CC3)(Cl)	C(C[6a]C[6a]2)(PClBC)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(BH3)(CC3)(Cl)	107.6082	3.484	4	107.6082	12.136	4	107.6082	12.136	4	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(PCCH)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CC3)2(H)	C(C[6a]C[6a]2)(PCCH)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CC3)2(H)	108.8700	0.092	7	108.8700	0.008	7	108.9821	0.038	10	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(PCCH)(H)2	H(CC[6a]HP)	P(CC[6a]HH)3(H)	C(C[6a]C[6a]2)(PCCH)(H)2	H(CC[6a]HP)	P(CC[6a]HH)3(H)	109.2437	0.012	3	109.2437	0.000	3	108.9821	0.038	10	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PCCO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CC3)2(O)	C(C[6a]C[6a]2)(PCCO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CC3)2(O)	107.5254	0.342	7	107.5254	0.117	7	108.1064	0.408	16	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PCCO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCCH)2(O)	C(C[6a]C[6a]2)(PCCO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCCH)2(O)	108.2370	0.230	4	108.2370	0.053	4	108.1064	0.408	16	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PCCO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCHH)2(O)	C(C[6a]C[6a]2)(PCCO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCHH)2(O)	108.8487	0.314	4	108.8487	0.099	4	108.1064	0.408	16	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PCCO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)3(O)	C(C[6a]C[6a]2)(PCCO)(H)2	H(CC[6a]HP)	P(CC[6a]HH)3(O)	108.6810	0.000	1	108.6810	0.000	1	108.1064	0.408	16	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(C[6a]C[6a]N[6a])(PCCS)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCCH)2(S)	C(C[6a]C[6a]N[6a])(PCCS)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCCH)2(S)	107.9103	0.123	6	107.9103	0.015	6	107.9103	0.015	6	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	N-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Se-1:	C(NC[6a]H)(PSeCC)(H)2	H(CHNP)	P(CHHN)3(Se)	C(NC[6a]H)(PSeCC)(H)2	H(CHNP)	P(CHHN)3(Se)	108.5352	0.480	6	108.5352	0.230	6	108.5352	0.230	6	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(N[6]C[6]2)(PCCO)(H)2	H(CN[6]HP)	P(CN[6]HH)3(O)	C(N[6]C[6]2)(PCCO)(H)2	H(CN[6]HP)	P(CN[6]HH)3(O)	108.9265	0.309	11	108.9265	0.096	11	108.9265	0.096	11	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(N[6]C[6]2)(PCCS)(H)2	H(CN[6]HP)	P(CN[6]HH)3(S)	C(N[6]C[6]2)(PCCS)(H)2	H(CN[6]HP)	P(CN[6]HH)3(S)	109.3804	0.166	5	109.3804	0.027	5	109.3804	0.027	5	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:1:	N[6]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Se-1:	C(N[6]C[6]2)(PSeCC)(H)2	H(CN[6]HP)	P(CN[6]HH)3(Se)	C(N[6]C[6]2)(PSeCC)(H)2	H(CN[6]HP)	P(CN[6]HH)3(Se)	108.9117	0.303	12	108.9117	0.092	12	108.9117	0.092	12	108.5809	0.923	70	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:2:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:N-2:	C(C[6a]C[6a]N[6a])(PCCN)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCCH)2(NSi)	C(C[6a]C[6a]N[6a])(PCCN)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCCH)2(NSi)	108.1090	0.018	2	108.1090	0.000	2	108.1090	0.000	2	108.1090	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:3:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-3:	C(C[6a]C[6a]2)(PC3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)3(CCC)	C(C[6a]C[6a]2)(PC3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)3(CCC)	108.8171	0.670	12	108.8171	0.448	12	108.8171	0.448	12	108.8171	0.448	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:4:	C-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CReC)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	C(CReC)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	108.3305	0.050	2	108.3305	0.003	2	108.3305	0.003	2	107.9917	1.015	37	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:B-4:C-4:	C(C[6a]C[6a]N[6a])(PBCC)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCHH)(BH3)(CC3)	C(C[6a]C[6a]N[6a])(PBCC)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCHH)(BH3)(CC3)	108.3955	0.755	4	108.3955	0.571	4	108.3955	0.571	4	107.9917	1.015	37	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(C[6a]C[6a]2)(PBCC)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCCH)2(BH3)	C(C[6a]C[6a]2)(PBCC)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCCH)2(BH3)	105.8058	0.295	4	105.8058	0.087	4	105.8058	0.087	4	107.9917	1.015	37	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(PC3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCHH)3	C(C[6a]C[6a,6a]C[6a])(PC3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCHH)3	108.9620	0.324	3	108.9620	0.105	3	108.1575	0.468	15	107.9917	1.015	37	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CC3)2(CH3)	C(C[6a]C[6a]2)(PC3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CC3)2(CH3)	108.2099	0.523	7	108.2099	0.273	7	108.1575	0.468	15	107.9917	1.015	37	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CC3)3	C(C[6a]C[6a]2)(PC3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CC3)3	106.6550	0.000	1	106.6550	0.000	1	108.1575	0.468	15	107.9917	1.015	37	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(H)2	H(CC[6a]HP)	P(CC[6a]HH)(CCHH)3	107.8380	0.152	4	107.8380	0.023	4	108.1575	0.468	15	107.9917	1.015	37	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[5]-4:C-4:C-4:B-4:	C(C[6a]C[6a]2)(PC[5]BC)(H)2	H(CC[6a]HP)	P(C[5]C[5]2Fe)(CC[6a]HH)2(BH3)	C(C[6a]C[6a]2)(PC[5]BC)(H)2	H(CC[6a]HP)	P(C[5]C[5]2Fe)(CC[6a]HH)2(BH3)	108.2583	0.989	4	108.2583	0.979	4	108.2583	0.979	4	107.9917	1.015	37	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:4:	C[6a]-3:P-4:H-1:H-1:	C-4:	C[6]-4:C[6]-4:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(PC[6]2C)(H)2	H(CC[6a]HP)	P(C[6]C[6]2H)2(CC[6a]HH)2	C(C[6a]C[6a,6a]C[6a])(PC[6]2C)(H)2	H(CC[6a]HP)	P(C[6]C[6]2H)2(CC[6a]HH)2	108.5168	0.792	4	108.5168	0.628	4	108.5168	0.628	4	107.9917	1.015	37	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:1:1:	4:	4:4:4:4:	N[5a]-3:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	H(CN[5a]HP)	P(CN[5a]HH)(CCCH)2(BH3)	C(N[5a]C[5a,6a]B[5a])(PBCC)(H)2	H(CN[5a]HP)	P(CN[5a]HH)(CCCH)2(BH3)	108.1915	0.644	4	108.1915	0.415	4	108.1915	0.415	4	107.9917	1.015	37	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	3:3:3:4:	C[6a]-3:P-4:C-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(CC)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)3(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]3)(CC)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)3(CC[6a]CH)	106.5950	0.000	1	106.5950	0.000	1	106.5950	0.000	1	106.5950	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	3:3:4:1:	C[6a]-3:P-4:O-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	H(CC[6a]OP)	P(C[6a]C[6a]2)2(CC[6a]HO)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(OH)(H)	H(CC[6a]OP)	P(C[6a]C[6a]2)2(CC[6a]HO)(O)	108.7897	1.389	6	108.7897	1.930	6	108.7897	1.930	6	108.3711	2.835	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	3:3:4:1:	C[6a]-3:P-4:Se-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(SeC)(H)	H(CC[6a]SeP)	P(C[6a]C[6a]2)2(CC[6a]SeH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(SeC)(H)	H(CC[6a]SeP)	P(C[6a]C[6a]2)2(CC[6a]SeH)(O)	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	108.3711	2.835	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	3:3:4:3:	C[6a]-3:P-4:O-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(PC[6a]2C)(OAl)(H)	H(CC[6a]OP)	P(C[6a]C[6a]2)2(CC[6a]HO)(CAlC)	C(C[6a]C[6a]2)(PC[6a]2C)(OAl)(H)	H(CC[6a]OP)	P(C[6a]C[6a]2)2(CC[6a]HO)(CAlC)	103.4990	0.000	1	103.4990	0.000	1	103.4990	0.000	1	103.4990	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	3:3:4:4:	C[6a]-3:P-4:O-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2B)(OH)(H)	H(CC[6a]OP)	P(C[6a]C[6a]2)2(CC[6a]HO)(BH3)	C(C[6a]C[6a]2)(PC[6a]2B)(OH)(H)	H(CC[6a]OP)	P(C[6a]C[6a]2)2(CC[6a]HO)(BH3)	108.4870	0.560	2	108.4870	0.314	2	108.4870	0.314	2	108.6667	0.254	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	3:3:4:4:	C[6a]-3:P-4:O-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	H(CC[6a]OP)	P(C[6a]C[6a]2)2(CC[6a]HO)(CZrHH)	C(C[6a]C[6a]2)(PC[6a]2C)(OB)(H)	H(CC[6a]OP)	P(C[6a]C[6a]2)2(CC[6a]HO)(CZrHH)	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	108.6667	0.254	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	3:4:4:1:	C[6a]-3:P-4:O-2:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]CO)(OH)(H)	H(CC[6a]OP)	P(C[6a]C[6a]2)(CC[6a]HO)(CC3)(O)	C(C[6a]C[6a]2)(PC[6a]CO)(OH)(H)	H(CC[6a]OP)	P(C[6a]C[6a]2)(CC[6a]HO)(CC3)(O)	108.9045	1.316	2	108.9045	1.732	2	108.9045	1.732	2	108.9045	1.732	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	4:1:1:1:	C[6a]-3:P-4:O-2:H-1:	C-4:	C-4:H-1:O-1:O-1:	C(C[6a]C[6a]2)(PHOO)(OH)(H)	H(CC[6a]OP)	P(CC[6a]HO)(H)(O)2	C(C[6a]C[6a]2)(PHOO)(OH)(H)	H(CC[6a]OP)	P(CC[6a]HO)(H)(O)2	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	4:2:1:1:	C[6]-3:P-4:O-2:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6]C[6]2)(PO3)(OH)(H)	H(CC[6]OP)	P(CC[6]HO)(OH)(O)2	C(C[6]C[6]2)(PO3)(OH)(H)	H(CC[6]OP)	P(CC[6]HO)(OH)(O)2	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	109.0570	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	4:2:2:1:	C[5a]-3:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[5a]C[5a]O[5a])(PO3)(OC)(H)	H(CC[5a]OP)	P(CC[5a]HO)(OC)2(O)	C(C[5a]C[5a]O[5a])(PO3)(OC)(H)	H(CC[5a]OP)	P(CC[5a]HO)(OC)2(O)	108.4780	0.000	1	108.4780	0.000	1	108.4780	0.000	1	108.6226	2.555	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	4:2:2:1:	C[6a]-3:P-4:N-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NC)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NC)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	104.1210	0.000	1	104.1210	0.000	1	104.1210	0.000	1	108.6226	2.555	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OC)(H)	H(CC[6a]OP)	P(CC[6a]HO)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(OC)(H)	H(CC[6a]OP)	P(CC[6a]HO)(OC)2(O)	109.6273	0.477	3	109.6273	0.228	3	108.8808	1.592	18	108.6226	2.555	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	H(CC[6a]OP)	P(CC[6a]HO)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(OH)(H)	H(CC[6a]OP)	P(CC[6a]HO)(OC)2(O)	109.0217	0.620	13	109.0217	0.384	13	108.8808	1.592	18	108.6226	2.555	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	4:2:2:1:	C[6a]-3:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(OH)(H)	H(CC[6a]OP)	P(CC[6a]HO)(OC[6a])2(O)	C(C[6a]C[6a]2)(PO3)(OH)(H)	H(CC[6a]OP)	P(CC[6a]HO)(OC[6a])2(O)	106.8450	3.432	2	106.8450	11.781	2	108.8808	1.592	18	108.6226	2.555	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	4:4:4:1:	C[6a]-3:P-4:O-2:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(C[6a]C[6a]2)(PCCH)(OC)(H)	H(CC[6a]OP)	P(CC[6a]HO)(CC3)2(H)	C(C[6a]C[6a]2)(PCCH)(OC)(H)	H(CC[6a]OP)	P(CC[6a]HO)(CC3)2(H)	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	107.1910	0.040	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	4:4:4:1:	C[6a]-3:P-4:O-2:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(C[6a]C[6a]2)(PCCS)(OP)(H)	H(CC[6a]OP)	P(CC[6a]HO)(CCHH)2(S)	C(C[6a]C[6a]2)(PCCS)(OP)(H)	H(CC[6a]OP)	P(CC[6a]HO)(CCHH)2(S)	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.1910	0.040	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:2:1:	4:	4:4:4:4:	C[6a]-3:P-4:O-2:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(OH)(H)	H(CC[6a]OP)	P(CC[6a]HO)(CCHH)3	C(C[6a]C[6a]2)(PC3)(OH)(H)	H(CC[6a]OP)	P(CC[6a]HO)(CCHH)3	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	110.3230	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	3:3:4:1:	C[6]-3:P-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	H(CC[6]CP)	P(C[6a]C[6a]2)2(CC[6]CH)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	H(CC[6]CP)	P(C[6a]C[6a]2)2(CC[6]CH)(O)	108.3865	0.071	2	108.3865	0.005	2	108.3865	0.005	2	107.5134	1.644	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	3:3:4:1:	C[6a]-3:P-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCC)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCC)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	106.7940	0.000	1	106.7940	0.000	1	107.4553	1.088	3	107.5134	1.644	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	3:3:4:1:	C[6a]-3:P-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	108.6580	0.000	1	108.6580	0.000	1	107.4553	1.088	3	107.5134	1.644	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	3:3:4:1:	C[6a]-3:P-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCP)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCP)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	106.9140	0.000	1	106.9140	0.000	1	107.4553	1.088	3	107.5134	1.644	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	3:3:4:1:	C[6a]-3:P-4:N-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(NCH)(H)	H(CC[6a]NP)	P(C[6a]C[6a]2)2(CC[6a]HN)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(NCH)(H)	H(CC[6a]NP)	P(C[6a]C[6a]2)2(CC[6a]HN)(O)	104.5220	0.000	1	104.5220	0.000	1	106.1705	5.435	2	107.5134	1.644	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	3:3:4:1:	C[6a]-3:P-4:N-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(NC[6a]H)(H)	H(CC[6a]NP)	P(C[6a]C[6a]2)2(CC[6a]HN)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(NC[6a]H)(H)	H(CC[6a]NP)	P(C[6a]C[6a]2)2(CC[6a]HN)(O)	107.8190	0.000	1	107.8190	0.000	1	106.1705	5.435	2	107.5134	1.644	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	3:3:4:1:	C[6a]-3:P-4:N-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]2S)(NCH)(H)	H(CC[6a]NP)	P(C[6a]C[6a]2)2(CC[6a]HN)(S)	C(C[6a]C[6a]2)(PC[6a]2S)(NCH)(H)	H(CC[6a]NP)	P(C[6a]C[6a]2)2(CC[6a]HN)(S)	107.4405	0.665	2	107.4405	0.443	2	107.8847	0.813	3	107.5134	1.644	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	3:3:4:1:	C[6a]-3:P-4:N-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]2S)(NHS)(H)	H(CC[6a]NP)	P(C[6a]C[6a]2)2(CC[6a]HN)(S)	C(C[6a]C[6a]2)(PC[6a]2S)(NHS)(H)	H(CC[6a]NP)	P(C[6a]C[6a]2)2(CC[6a]HN)(S)	108.7730	0.000	1	108.7730	0.000	1	107.8847	0.813	3	107.5134	1.644	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	3:4:2:1:	C[6a]-3:P-4:N-3:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(NCH)(H)	H(CC[6a]NP)	P(C[6a]C[6a]2)(CC[6a]HN)(OC[6])(O)	C(C[6a]C[6a]2)(PC[6a]OO)(NCH)(H)	H(CC[6a]NP)	P(C[6a]C[6a]2)(CC[6a]HN)(OC[6])(O)	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	3:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC[6a]CC)(CCC)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	C(C[6a]C[6a]2)(PC[6a]CC)(CCC)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	106.2785	0.235	2	106.2785	0.055	2	106.2785	0.055	2	106.2785	0.055	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:2:2:1:	C[5a]-3:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[5a]C[5a]2)(PO3)(NCH)(H)	H(CC[5a]NP)	P(CC[5a]HN)(OC)2(O)	C(C[5a]C[5a]2)(PO3)(NCH)(H)	H(CC[5a]NP)	P(CC[5a]HN)(OC)2(O)	104.0260	0.000	1	104.0260	0.000	1	104.0260	0.000	1	106.7820	1.205	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:2:2:1:	C[6]-3:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]2)(PO3)(NCH)(H)	H(CC[6]NP)	P(CC[6]HN)(OC)2(O)	C(C[6]C[6]2)(PO3)(NCH)(H)	H(CC[6]NP)	P(CC[6]HN)(OC)2(O)	104.2250	0.000	1	104.2250	0.000	1	104.2250	0.000	1	106.7820	1.205	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:2:2:1:	C[6a]-3:P-4:C-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6,6a]C[6a])(PO3)(CCO)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6,6a]C[6a])(PO3)(CCO)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OC)2(O)	105.9950	0.000	1	105.9950	0.000	1	106.7085	1.018	2	106.7820	1.205	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:2:2:1:	C[6a]-3:P-4:C-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(COO)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(COO)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OC)2(O)	107.4220	0.000	1	107.4220	0.000	1	106.7085	1.018	2	106.7820	1.205	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:2:2:1:	C[6a]-3:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NCC)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NCC)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	105.4430	0.000	1	105.4430	0.000	1	107.1232	0.391	16	106.7820	1.205	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:2:2:1:	C[6a]-3:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	107.2015	0.428	12	107.2015	0.183	12	107.1232	0.391	16	106.7820	1.205	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:2:2:1:	C[6a]-3:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NCH)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC[6a])2(O)	C(C[6a]C[6a]2)(PO3)(NCH)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC[6a])2(O)	106.6800	0.000	1	106.6800	0.000	1	107.1232	0.391	16	106.7820	1.205	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:2:2:1:	C[6a]-3:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(NHS)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(NHS)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)2(O)	107.7155	0.244	2	107.7155	0.060	2	107.1232	0.391	16	106.7820	1.205	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	H(CC[6a]CP)	P(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(CCC)(H)	H(CC[6a]CP)	P(CC[6a]CH)(CCHH)3	104.5468	0.399	4	104.5468	0.159	4	104.4607	0.360	6	104.4607	0.360	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCC)(H)	H(CC[6a]CP)	P(CC[6a]CH)(CH3)3	C(C[6a]C[6a]2)(PC3)(CCC)(H)	H(CC[6a]CP)	P(CC[6a]CH)(CH3)3	105.0740	0.000	1	105.0740	0.000	1	104.4607	0.360	6	104.4607	0.360	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:3:1:	4:	4:4:4:4:	C[6a]-3:P-4:C-3:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[6a]C[6a]2)(PC3)(CCN)(H)	H(CC[6a]CP)	P(CC[6a]CH)(CCHH)3	C(C[6a]C[6a]2)(PC3)(CCN)(H)	H(CC[6a]CP)	P(CC[6a]CH)(CCHH)3	103.5030	0.000	1	103.5030	0.000	1	104.4607	0.360	6	104.4607	0.360	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:3:3:4:	C[6a]-3:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)3(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)3(CC[6a]CH)	106.9755	0.768	4	106.9755	0.590	4	106.9755	0.590	4	106.9755	0.590	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:3:4:1:	C[5]-3:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	H(CC[5]CP)	P(C[6a]C[6a]2)2(CC[5]CH)(S)	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	H(CC[5]CP)	P(C[6a]C[6a]2)2(CC[5]CH)(S)	106.6795	0.032	2	106.6795	0.001	2	106.6795	0.001	2	107.5617	1.461	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:3:4:1:	C[6]-3:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	H(CC[6]CP)	P(C[6a]C[6a]2)2(CC[6]CH)(S)	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	H(CC[6]CP)	P(C[6a]C[6a]2)2(CC[6]CH)(S)	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	107.5617	1.461	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	107.4026	0.772	7	107.4026	0.595	7	107.4361	0.519	8	107.5617	1.461	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	H(CC[6a]CP)	P(C[6a]C[6a,6a]C[6a])2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	H(CC[6a]CP)	P(C[6a]C[6a,6a]C[6a])2(CC[6a]CH)(O)	107.6710	0.000	1	107.6710	0.000	1	107.4361	0.519	8	107.5617	1.461	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(S)	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(S)	107.3743	0.551	3	107.3743	0.303	3	107.3743	0.303	3	107.5617	1.461	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:3:4:1:	C[6a]-3:P-4:P-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)2(H)	H(CC[6a]PP)	P(C[6a]C[6a]2)2(CC[6a]HP)(O)	C(C[6a]C[6a]2)(PC[6a]2O)2(H)	H(CC[6a]PP)	P(C[6a]C[6a]2)2(CC[6a]HP)(O)	109.2795	3.159	2	109.2795	9.977	2	109.2795	9.977	2	107.5617	1.461	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:3:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	105.2880	0.000	1	105.2880	0.000	1	106.0895	1.285	2	106.0895	1.285	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:3:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	106.8910	0.000	1	106.8910	0.000	1	106.0895	1.285	2	106.0895	1.285	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:4:4:1:	C[6a]-3:C-4:P-4:H-1:	C-4:	C[6a]-3:C-4:C-4:S-1:	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	106.8850	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:4:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:	C[6a]-3:C-4:B-4:C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)(CC[6a]CH)(BH3)(CH3)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)(CC[6a]CH)(BH3)(CH3)	107.3697	0.528	3	107.3697	0.279	3	107.3697	0.279	3	106.9553	0.873	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	3:4:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(BH3)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(BH3)	105.7120	0.000	1	105.7120	0.000	1	105.7120	0.000	1	106.9553	0.873	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:1:1:1:	N-3:P-4:P-4:H-1:	C-4:	C-4:O-1:O-1:O-1:	C(NC[6a]H)(PO3)2(H)	H(CNPP)	P(CHNP)(O)3	C(NC[6a]H)(PO3)2(H)	H(CNPP)	P(CHNP)(O)3	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	107.7150	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:1:1:	C[6]-3:C-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6]C[6]2)(CCHH)(PO3)(H)	H(CC[6]CP)	P(CC[6]CH)(OH)(O)2	C(C[6]C[6]2)(CCHH)(PO3)(H)	H(CC[6]CP)	P(CC[6]CH)(OH)(O)2	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	106.7310	2.412	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:1:1:	C[6a]-3:C-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OH)(O)2	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OH)(O)2	108.2530	0.288	2	108.2530	0.083	2	108.2530	0.083	2	106.7310	2.412	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:1:1:	C[6a]-3:N-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a,6a]C[6a])(NCHH)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)(O)2	102.7240	0.000	1	102.7240	0.000	1	105.7978	4.217	4	106.7310	2.412	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:1:1:	C[6a]-3:N-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a]2)(NCHH)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)(O)2	106.7310	0.068	2	106.7310	0.005	2	105.7978	4.217	4	106.7310	2.412	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:1:1:	C[6a]-3:N-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)(O)2	C(C[6a]C[6a]2)(NC[6a]HH)(PO3)(H)	H(CC[6a]NP)	P(CC[6a]HN)(OC)(O)2	107.0050	0.000	1	107.0050	0.000	1	105.7978	4.217	4	106.7310	2.412	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:1:1:	N-3:P-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(NC[5]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)(O)2	C(NC[5]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)(O)2	106.7280	0.000	1	106.7280	0.000	1	106.5821	1.419	10	106.7310	2.412	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:1:1:	N-3:P-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(NC[5a]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)(O)2	C(NC[5a]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)(O)2	105.0910	0.000	1	105.0910	0.000	1	106.5821	1.419	10	106.7310	2.412	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:1:1:	N-3:P-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(NC[6]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)(O)2	C(NC[6]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)(O)2	106.9564	1.149	7	106.9564	1.321	7	106.5821	1.419	10	106.7310	2.412	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:1:1:	N-3:P-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(NC[6a]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)(O)2	C(NC[6a]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)(O)2	105.3070	0.000	1	105.3070	0.000	1	106.5821	1.419	10	106.7310	2.412	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:2:1:	C[5a]-3:C-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	H(CC[5a]CP)	P(CC[5a]CH)(OC)2(O)	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	H(CC[5a]CP)	P(CC[5a]CH)(OC)2(O)	107.8410	0.000	1	107.8410	0.000	1	107.8410	0.000	1	107.2770	2.839	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:2:1:	C[6]-3:N-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	H(CC[6]NP)	P(CC[6]HN)(OC)2(O)	C(C[6]C[6]N[6])(NC[6a]PtH)(PO3)(H)	H(CC[6]NP)	P(CC[6]HN)(OC)2(O)	108.5193	0.542	3	108.5193	0.294	3	108.5272	0.529	6	107.2770	2.839	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:2:1:	C[6]-3:N-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	H(CC[6]NP)	P(CC[6]HN)(OC)2(O)	C(C[6]C[6]N[6])(NPtCH)(PO3)(H)	H(CC[6]NP)	P(CC[6]HN)(OC)2(O)	108.5350	1.014	3	108.5350	1.028	3	108.5272	0.529	6	107.2770	2.839	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:2:1:	C[6a]-3:C-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CC3)(PO3)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6a]2)(CC3)(PO3)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OC)2(O)	105.3590	0.000	1	105.3590	0.000	1	106.2835	1.709	2	107.2770	2.839	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:2:1:	C[6a]-3:C-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CH3)(PO3)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OH)2(O)	C(C[6a]C[6a]2)(CH3)(PO3)(H)	H(CC[6a]CP)	P(CC[6a]CH)(OH)2(O)	107.2080	0.000	1	107.2080	0.000	1	106.2835	1.709	2	107.2770	2.839	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:2:1:	C[6a]-3:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]2Pt)(PO3)(H)	H(CC[6a]PP)	P(CC[6a]HP)(OC)2(O)	C(C[6a]C[6a]2)(PC[6a]2Pt)(PO3)(H)	H(CC[6a]PP)	P(CC[6a]HP)(OC)2(O)	103.3745	1.283	2	103.3745	1.647	2	103.3745	1.647	2	107.2770	2.839	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:2:1:	N-3:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(NC[5]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)2(O)	C(NC[5]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)2(O)	106.7670	0.000	1	106.7670	0.000	1	107.4689	0.685	9	107.2770	2.839	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:2:1:	N-3:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(NC[5a]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)2(O)	C(NC[5a]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)2(O)	108.8910	0.000	1	108.8910	0.000	1	107.4689	0.685	9	107.2770	2.839	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:2:1:	N-3:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(NC[6]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)2(O)	C(NC[6]H)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)2(O)	107.3660	0.694	7	107.3660	0.482	7	107.4689	0.685	9	107.2770	2.839	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:2:2:2:	C[6a]-3:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(C[6a]C[6a]2)(PC[6a]2Pd)(PO3)(H)	H(CC[6a]PP)	P(CC[6a]HP)(OPd)(OC)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(PO3)(H)	H(CC[6a]PP)	P(CC[6a]HP)(OPd)(OC)2	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	109.4320	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:4:4:1:	C[6a]-3:C-4:P-4:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	H(CC[6a]CP)	P(CC[6a]CH)(CCHH)2(O)	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	H(CC[6a]CP)	P(CC[6a]CH)(CCHH)2(O)	107.5730	0.000	1	107.5730	0.000	1	107.5730	0.000	1	104.2570	8.394	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:4:4:1:	C[6a]-3:Ge-4:P-4:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	H(CC[6a]GeP)	P(CC[6a]GeH)(CCCH)2(S)	C(C[6a]C[6a]N[6a])(GeCl2Ge)(PCCS)(H)	H(CC[6a]GeP)	P(CC[6a]GeH)(CCCH)2(S)	102.5990	0.542	2	102.5990	0.293	2	102.5990	0.293	2	104.2570	8.394	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	3:4:4:1:	4:	4:4:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:	C[6]-4:C[6]-4:C-4:B-4:	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	H(CC[6a]CP)	P(C[6]C[6]2H)2(CC[6a]CH)(BH3)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	H(CC[6a]CP)	P(C[6]C[6]2H)2(CC[6a]CH)(BH3)	105.3965	1.001	2	105.3965	1.001	2	105.3965	1.001	2	105.3965	1.001	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	2:2:4:1:	P-4:H-1:H-1:H-1:	C-4:	O-2:O-2:C-4:O-1:	C(PO3)(H)3	H(CHHP)	P(OC[6a])2(CH3)(O)	C(PO3)(H)3	H(CHHP)	P(OC[6a])2(CH3)(O)	109.4663	0.042	32	109.4663	0.002	32	109.4663	0.002	32	109.4675	0.002	35	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	2:2:4:1:	P-4:H-1:H-1:H-1:	C-4:	O-2:O-2:C-4:S-1:	C(POOS)(H)3	H(CHHP)	P(OC[6a])(OC[6])(CH3)(S)	C(POOS)(H)3	H(CHHP)	P(OC[6a])(OC[6])(CH3)(S)	109.4800	0.038	3	109.4800	0.001	3	109.4800	0.001	3	109.4675	0.002	35	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	2:2:4:2:	P-4:H-1:H-1:H-1:	C-4:	O-2:O-2:C-4:O-2:	C(PO3)(H)3	H(CHHP)	P(OC[6a])2(CH3)(OCa)	C(PO3)(H)3	H(CHHP)	P(OC[6a])2(CH3)(OCa)	109.4310	0.035	2	109.4310	0.001	2	109.4310	0.001	2	109.4310	0.001	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	2:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	Nb[10x3]-2:C[6a]-3:C[6a]-3:C-4:	C(PNb[10x3]C[6a]2)(H)3	H(CHHP)	P(Nb[10x3]C[3,3,5]10C)(C[6a]C[6a]2)2(CH3)	C(PNb[10x3]C[6a]2)(H)3	H(CHHP)	P(Nb[10x3]C[3,3,5]10C)(C[6a]C[6a]2)2(CH3)	109.4395	0.035	2	109.4395	0.001	2	109.4395	0.001	2	109.4395	0.001	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	2:4:2:2:	P-4:H-1:H-1:H-1:	C-4:	O-2:C-4:O-2:O-2:	C(PO3)(H)3	H(CHHP)	P(OC[6a])(CH3)(OCo)2	C(PO3)(H)3	H(CHHP)	P(OC[6a])(CH3)(OCo)2	109.4743	0.031	7	109.4743	0.001	7	109.4743	0.001	7	109.4743	0.001	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	2:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Nb[10x3]-2:C-4:C-4:C-4:	C(PNb[10x3]CC)(H)3	H(CHHP)	P(Nb[10x3]C[3,3,5]10N)(CH3)3	C(PNb[10x3]CC)(H)3	H(CHHP)	P(Nb[10x3]C[3,3,5]10N)(CH3)3	110.4369	0.302	9	110.4369	0.091	9	110.4369	0.091	9	109.8040	0.252	26	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	2:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P-2:C-4:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(PC[6a])(CH3)3	C(PCCP)(H)3	H(CHHP)	P(PC[6a])(CH3)3	109.4708	0.029	5	109.4708	0.001	5	109.4714	0.001	9	109.8040	0.252	26	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	2:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P-2:C-4:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(PGa[5])(CH3)3	C(PCCP)(H)3	H(CHHP)	P(PGa[5])(CH3)3	109.4723	0.016	4	109.4723	0.000	4	109.4714	0.001	9	109.8040	0.252	26	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	2:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Se-2:C-4:C-4:C-4:	C(PSeCC)(H)3	H(CHHP)	P(SeC[6a])(CH3)3	C(PSeCC)(H)3	H(CHHP)	P(SeC[6a])(CH3)3	109.4660	0.079	8	109.4660	0.006	8	109.4660	0.006	8	109.8040	0.252	26	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:2:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:O-2:C-4:O-1:	C(PC[6a]OO)(H)3	H(CHHP)	P(C[6a]C[6a]2)(OC[6])(CH3)(O)	C(PC[6a]OO)(H)3	H(CHHP)	P(C[6a]C[6a]2)(OC[6])(CH3)(O)	109.8790	0.799	3	109.8790	0.639	3	109.8790	0.639	3	111.6538	6.864	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:2:4:1:	P-4:H-1:H-1:H-1:	C-4:	N-3:N-2:C-4:S-1:	C(PNNS)(H)3	H(CHHP)	P(NC[6a]H)(NC[6a])(CH3)(S)	C(PNNS)(H)3	H(CHHP)	P(NC[6a]H)(NC[6a])(CH3)(S)	113.4287	2.659	3	113.4287	7.070	3	113.4287	7.070	3	111.6538	6.864	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:2:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-2:C-4:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])(CH3)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])(CH3)	109.4754	0.022	10	109.4754	0.000	10	109.4754	0.000	10	109.4686	0.001	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:2:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:O-2:C-4:	C(PC[6a]2O)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(OC[6])(CH3)	C(PC[6a]2O)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(OC[6])(CH3)	109.4710	0.053	5	109.4710	0.003	5	109.4710	0.003	5	109.4686	0.001	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:2:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:Se-2:C-4:	C(PC[6a]2Se)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(SeC[6a])(CH3)	C(PC[6a]2Se)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(SeC[6a])(CH3)	109.4417	0.053	3	109.4417	0.003	3	109.4417	0.003	3	109.4686	0.001	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(Cl)(H)2	H(CClHP)	P(C[6a]C[6a]2)3(CClHH)	C(PC[6a]3)(Cl)(H)2	H(CClHP)	P(C[6a]C[6a]2)3(CClHH)	109.5716	0.830	8	109.5716	0.689	8	109.5716	0.689	8	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:F-1:F-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(F)2(H)	H(CFFP)	P(C[6a]C[6a]2)3(CFFH)	C(PC[6a]3)(F)2(H)	H(CFFP)	P(C[6a]C[6a]2)3(CFFH)	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CH3)	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CH3)	109.4730	0.034	3	109.4730	0.001	3	109.4743	0.001	9	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(CH3)	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2(CH3)	109.4750	0.036	6	109.4750	0.001	6	109.4743	0.001	9	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[5a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[5a]C[6a]2)(H)3	H(CHHP)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CH3)	C(PC[5a]C[6a]2)(H)3	H(CHHP)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CH3)	109.4910	0.042	3	109.4910	0.002	3	109.4868	0.001	6	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[5a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[5a]C[6a]2)(H)3	H(CHHP)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(CH3)	C(PC[5a]C[6a]2)(H)3	H(CHHP)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2(CH3)	109.4827	0.020	3	109.4827	0.000	3	109.4868	0.001	6	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:As-3:C-4:	C(PC[6a]2As)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(AsCC)(CH3)	C(PC[6a]2As)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(AsCC)(CH3)	109.4557	0.172	3	109.4557	0.030	3	109.4557	0.030	3	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-3:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CFeP)(CH3)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CFeP)(CH3)	109.4628	0.038	5	109.4628	0.001	5	109.4659	0.003	13	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-3:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CPdC)(CH3)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CPdC)(CH3)	109.5353	0.018	3	109.5353	0.000	3	109.4659	0.003	13	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-3:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CZrC)(CH3)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CZrC)(CH3)	109.4274	0.049	5	109.4274	0.002	5	109.4659	0.003	13	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[5]-3:C-4:	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[6a]C[6a]2)2(C[5]C[5]2)(CH3)	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[6a]C[6a]2)2(C[5]C[5]2)(CH3)	109.4683	0.030	9	109.4683	0.001	9	109.4683	0.001	9	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(H)3	H(CHHP)	P(C[6a]C[6a]2)3(CH3)	C(PC[6a]3)(H)3	H(CHHP)	P(C[6a]C[6a]2)3(CH3)	109.4424	0.332	192	109.4424	0.110	192	109.4424	0.110	192	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	109.4657	0.022	8	109.4657	0.000	8	109.4772	0.001	29	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]Zn)(CH3)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]Zn)(CH3)	109.4547	0.046	3	109.4547	0.002	3	109.4772	0.001	29	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(NAlSi)(CH3)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(NAlSi)(CH3)	109.5153	0.028	3	109.5153	0.001	3	109.4772	0.001	29	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(NC[6a]H)(CH3)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(NC[6a]H)(CH3)	109.4663	0.031	3	109.4663	0.001	3	109.4772	0.001	29	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(NC[6a]Ni)(CH3)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(NC[6a]Ni)(CH3)	109.4835	0.006	2	109.4835	0.000	2	109.4772	0.001	29	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(NC[6a]Pd)(CH3)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(NC[6a]Pd)(CH3)	109.4894	0.038	7	109.4894	0.001	7	109.4772	0.001	29	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(NSiZn)(CH3)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(NSiZn)(CH3)	109.4703	0.039	3	109.4703	0.002	3	109.4772	0.001	29	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:N-3:P-3:C-4:	C(PC[6a]NP)(H)3	H(CHHP)	P(C[6a]C[6a]2)(NC[6a]Al)(PC[6a]N)(CH3)	C(PC[6a]NP)(H)3	H(CHHP)	P(C[6a]C[6a]2)(NC[6a]Al)(PC[6a]N)(CH3)	109.4463	0.016	3	109.4463	0.000	3	109.4463	0.000	3	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	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)	H(CHIP)	P(C[6a]C[6a]2)3(CHHI)	C(PC[6a]3)(H)2(I)	H(CHIP)	P(C[6a]C[6a]2)3(CHHI)	109.1004	0.140	8	109.1004	0.020	8	109.1004	0.020	8	109.4478	0.101	281	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:1:	P-4:F-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(F)(H)2	H(CFHP)	P(C[6a]C[6a]2)2(CFHH)(O)	C(PC[6a]2O)(F)(H)2	H(CFHP)	P(C[6a]C[6a]2)2(CFHH)(O)	109.7838	0.098	6	109.7838	0.010	6	109.7838	0.010	6	109.4222	0.226	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6]-3:C[6]-3:C-4:O-1:	C(PC[6]2O)(H)3	H(CHHP)	P(C[6]C[6]N[6])2(CH3)(O)	C(PC[6]2O)(H)3	H(CHHP)	P(C[6]C[6]N[6])2(CH3)(O)	109.4753	0.026	3	109.4753	0.001	3	109.4753	0.001	3	109.4222	0.226	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(O)	C(PC[6a]2O)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(O)	109.4638	0.026	38	109.4638	0.001	38	109.4638	0.001	38	109.4222	0.226	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(S)	C(PC[6a]2S)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(S)	109.4568	0.040	5	109.4568	0.002	5	109.4568	0.002	5	109.4222	0.226	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:N[5]-3:C-4:O-1:	C(PC[6a]N[5]O)(H)3	H(CHHP)	P(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(O)	C(PC[6a]N[5]O)(H)3	H(CHHP)	P(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(O)	109.4606	0.043	5	109.4606	0.002	5	109.4606	0.002	5	109.4222	0.226	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:1:	P-4:H-1:H-1:H-1:	C-4:	N[5a]-3:N[5a]-3:C-4:S-1:	C(PN[5a]2S)(H)3	H(CHHP)	P(N[5a]C[5a]N[5a])2(CH3)(S)	C(PN[5a]2S)(H)3	H(CHHP)	P(N[5a]C[5a]N[5a])2(CH3)(S)	107.9967	1.771	3	107.9967	3.135	3	107.9967	3.135	3	109.4222	0.226	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:2:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(NFe)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(NFe)	109.4893	0.032	3	109.4893	0.001	3	109.4893	0.001	3	109.4893	0.001	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:3:	P-4:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(Cl)(H)2	H(CClHP)	P(C[6a]C[6a]2)2(CClHH)(CCH)	C(PC[6a]2C)(Cl)(H)2	H(CClHP)	P(C[6a]C[6a]2)2(CClHH)(CCH)	109.4440	0.007	2	109.4440	0.000	2	109.4440	0.000	2	109.4588	0.001	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:3:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(CCF)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(CCF)	109.4350	0.019	3	109.4350	0.000	3	109.4350	0.000	3	109.4588	0.001	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:3:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-3:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(NCH)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(NCH)	109.4727	0.016	3	109.4727	0.000	3	109.4731	0.000	7	109.4588	0.001	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:3:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-3:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(NCP)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(NCP)	109.4825	0.026	2	109.4825	0.001	2	109.4731	0.000	7	109.4588	0.001	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:3:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-3:	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(NHH)	C(PC[6a]2N)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)(NHH)	109.4645	0.009	2	109.4645	0.000	2	109.4731	0.000	7	109.4588	0.001	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(Cl)(H)2	H(CClHP)	P(C[6a]C[6a]2)2(CClHH)(CBHH)	C(PC[6a]2C)(Cl)(H)2	H(CClHP)	P(C[6a]C[6a]2)2(CClHH)(CBHH)	109.2940	0.035	2	109.2940	0.001	2	109.2940	0.001	2	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-3:C[5]-3:C-4:C-4:	C(PC[5]2C)(H)3	H(CHHP)	P(C[5]C[5]2)2(CC3)(CH3)	C(PC[5]2C)(H)3	H(CHHP)	P(C[5]C[5]2)2(CC3)(CH3)	109.4853	0.029	3	109.4853	0.001	3	109.4853	0.001	3	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-3:C[6a]-3:C-4:C-4:	C(PC[6a]C[5]C)(H)3	H(CHHP)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)2	C(PC[6a]C[5]C)(H)3	H(CHHP)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)2	109.4470	0.042	6	109.4470	0.002	6	109.4470	0.002	6	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-3:N-3:C-4:C-4:	C(PC[5]CN)(H)3	H(CHHP)	P(C[5]C[5]2)(NC[3x6]H)(CH3)2	C(PC[5]CN)(H)3	H(CHHP)	P(C[5]C[5]2)(NC[3x6]H)(CH3)2	108.9143	2.658	6	108.9143	7.066	6	108.9143	7.066	6	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:As-3:C-4:C-4:	C(PC[6a]AsC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(AsCC)(CH3)2	C(PC[6a]AsC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(AsCC)(CH3)2	109.4974	0.032	5	109.4974	0.001	5	109.4756	0.001	16	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:As-3:C-4:C-4:	C(PC[6a]AsC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(AsC[6a]C)(CH3)2	C(PC[6a]AsC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(AsC[6a]C)(CH3)2	109.4657	0.038	11	109.4657	0.001	11	109.4756	0.001	16	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-3:C-4:C-4:	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CCuW)(CH3)2	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CCuW)(CH3)2	109.4924	0.180	11	109.4924	0.032	11	109.4818	0.019	20	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-3:C-4:C-4:	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CPtW)(CH3)2	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CPtW)(CH3)2	109.4688	0.061	9	109.4688	0.004	9	109.4818	0.019	20	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[5]-3:C-4:C-4:	C(PC[6a]C[5]C)(H)3	H(CHHP)	P(C[6a]C[6a]2)(C[5]C[5]2)(CH3)2	C(PC[6a]C[5]C)(H)3	H(CHHP)	P(C[6a]C[6a]2)(C[5]C[5]2)(CH3)2	109.4828	0.041	5	109.4828	0.002	5	109.4828	0.002	5	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:B-4:C-4:	C(PC[6a]2B)(H)3	H(CHHP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(BH3)(CH3)	C(PC[6a]2B)(H)3	H(CHHP)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(BH3)(CH3)	109.4853	0.039	11	109.4853	0.002	11	109.4991	0.002	14	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:B-4:C-4:	C(PC[6a]2B)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(BB[3]HH)(CH3)	C(PC[6a]2B)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(BB[3]HH)(CH3)	109.5500	0.051	3	109.5500	0.003	3	109.4991	0.002	14	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CCCH)(CH3)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CCCH)(CH3)	109.4265	0.028	2	109.4265	0.001	2	109.4674	0.001	53	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CCHH)(CH3)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CCHH)(CH3)	109.4775	0.036	19	109.4775	0.001	19	109.4674	0.001	53	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CC[5]HH)(CH3)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CC[5]HH)(CH3)	109.4670	0.020	6	109.4670	0.000	6	109.4674	0.001	53	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CH3)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CH3)	109.4644	0.024	5	109.4644	0.001	5	109.4674	0.001	53	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)2	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CH3)2	109.4729	0.045	13	109.4729	0.002	13	109.4674	0.001	53	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CNiCF)(CH3)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CNiCF)(CH3)	109.4750	0.018	2	109.4750	0.000	2	109.4674	0.001	53	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CPdCH)(CH3)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CPdCH)(CH3)	109.4327	0.034	3	109.4327	0.001	3	109.4674	0.001	53	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CReCH)(CH3)	C(PC[6a]2C)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(CReCH)(CH3)	109.4430	0.011	3	109.4430	0.000	3	109.4674	0.001	53	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[6a]C[6a]2)2(C[5]C[5]2W)(CH3)	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[6a]C[6a]2)2(C[5]C[5]2W)(CH3)	109.5013	0.024	3	109.5013	0.001	3	109.5013	0.001	3	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:N-3:B-4:C-4:	C(PC[6a]BN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(NC[5]C)(BH3)(CH3)	C(PC[6a]BN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(NC[5]C)(BH3)(CH3)	109.4740	0.016	3	109.4740	0.000	3	109.4740	0.000	3	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:N-3:C-4:C-4:	C(PC[6a]CN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(NC[6a]H)(CH3)2	C(PC[6a]CN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(NC[6a]H)(CH3)2	109.4718	0.016	5	109.4718	0.000	5	109.4786	0.000	11	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:N-3:C-4:C-4:	C(PC[6a]CN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(NCuC)(CH3)2	C(PC[6a]CN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(NCuC)(CH3)2	109.4843	0.019	6	109.4843	0.000	6	109.4786	0.000	11	109.4495	0.267	142	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:3:5:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:In-5:C-4:	C(PC[6a]2In)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(InI3P)(CH3)	C(PC[6a]2In)(H)3	H(CHHP)	P(C[6a]C[6a]2)2(InI3P)(CH3)	109.4640	0.043	4	109.4640	0.002	4	109.4640	0.002	4	109.4640	0.002	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:2:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)(OH)(O)	C(PC[6a]OO)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)(OH)(O)	109.4353	0.038	3	109.4353	0.001	3	109.4353	0.001	3	109.4353	0.001	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:2:2:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:N-2:N-2:	C(PC[6a]NN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)(NP)2	C(PC[6a]NN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)(NP)2	109.4596	0.038	26	109.4596	0.001	26	109.4596	0.001	26	109.4596	0.001	26	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:3:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)(CCH)(O)	C(PC[6a]CO)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)(CCH)(O)	109.4763	0.021	11	109.4763	0.000	11	109.4763	0.000	11	109.4763	0.000	11	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:Ga-4:N-3:C-4:	C(PC[6a]GaN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(GaCl3)(NSiN)(CH3)	C(PC[6a]GaN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(GaCl3)(NSiN)(CH3)	109.4520	0.025	5	109.4520	0.001	5	109.4520	0.001	5	109.4520	0.001	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:1:	P-4:Cl-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(Cl)(H)2	H(CClHP)	P(C[6a]C[6a]2)(CClHH)2(O)	C(PC[6a]CO)(Cl)(H)2	H(CClHP)	P(C[6a]C[6a]2)(CClHH)2(O)	109.7810	0.275	3	109.7810	0.076	3	109.7810	0.076	3	109.6185	1.159	48	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:H-1:	C(PC[6a]CH)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)2(H)	C(PC[6a]CH)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)2(H)	110.1347	1.166	17	110.1347	1.359	17	110.1347	1.359	17	109.6185	1.159	48	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CCHS)(CH3)(O)	C(PC[6a]CO)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CCHS)(CH3)(O)	109.5030	0.388	3	109.5030	0.151	3	109.4875	0.044	8	109.6185	1.159	48	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)2(O)	C(PC[6a]CO)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)2(O)	109.4782	0.035	5	109.4782	0.001	5	109.4875	0.044	8	109.6185	1.159	48	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:S-1:	C(PC[6a]CS)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)2(S)	C(PC[6a]CS)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)2(S)	109.4885	0.029	4	109.4885	0.001	4	109.4885	0.001	4	109.6185	1.159	48	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[3]-4:C-4:S-1:	C(PC[6a]C[3]S)(H)3	H(CHHP)	P(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(S)	C(PC[6a]C[3]S)(H)3	H(CHHP)	P(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(S)	109.4643	0.015	3	109.4643	0.000	3	109.4643	0.000	3	109.6185	1.159	48	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	N-3:C-4:C-4:S-1:	C(PCNS)(H)3	H(CHHP)	P(NC[6a]H)(CH3)2(S)	C(PCNS)(H)3	H(CHHP)	P(NC[6a]H)(CH3)2(S)	108.5775	2.036	6	108.5775	4.144	6	108.5775	4.144	6	109.6185	1.159	48	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	N[6]-3:C-4:C-4:S-1:	C(PN[6]CS)(H)3	H(CHHP)	P(N[6]C[6]2)(CH3)2(S)	C(PN[6]CS)(H)3	H(CHHP)	P(N[6]C[6]2)(CH3)2(S)	109.4773	0.035	7	109.4773	0.001	7	109.4773	0.001	7	109.6185	1.159	48	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C[5]-3:C-4:C-4:O-2:	C(PC[5]CO)(H)3	H(CHHP)	P(C[5]C[5]2)(CH3)2(OH)	C(PC[5]CO)(H)3	H(CHHP)	P(C[5]C[5]2)(CH3)2(OH)	108.7143	3.136	6	108.7143	9.837	6	108.7143	9.837	6	109.2287	2.862	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:N-2:	C(PC[6a]CN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)2(NFe)	C(PC[6a]CN)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)2(NFe)	109.4622	0.039	10	109.4622	0.001	10	109.4622	0.001	10	109.2287	2.862	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(H)3	H(CHHP)	P(C[6a]C[6a]N[6a])(CC3)(CH3)(OPd)	C(PC[6a]CO)(H)3	H(CHHP)	P(C[6a]C[6a]N[6a])(CC3)(CH3)(OPd)	109.4793	0.027	3	109.4793	0.001	3	109.4793	0.001	3	109.2287	2.862	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C[6]-3:C-4:C-4:C-3:	C(PC[6]CC)(H)3	H(CHHP)	P(C[6]C[6]2)(CH3)2(CHH)	C(PC[6]CC)(H)3	H(CHHP)	P(C[6]C[6]2)(CH3)2(CHH)	106.1541	6.059	6	106.1541	36.706	6	106.1541	36.706	6	108.4129	12.683	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:B-4:C-4:C-3:	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(BH3)(CH3)(CCC)	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(BH3)(CH3)(CCC)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	108.4129	12.683	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:P-4:C-4:N-3:	C(PC[6a]NP)(H)3	H(CHHP)	P(C[6a]C[6a]2)(PC[6a]WW)(CH3)(NCH)	C(PC[6a]NP)(H)3	H(CHHP)	P(C[6a]C[6a]2)(PC[6a]WW)(CH3)(NCH)	109.4340	0.044	3	109.4340	0.002	3	109.4340	0.002	3	108.4129	12.683	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	N-3:C-4:C-4:C-3:	C(PCCN)(H)3	H(CHHP)	P(NSiSn)(CH3)2(CCP)	C(PCCN)(H)3	H(CHHP)	P(NSiSn)(CH3)2(CCP)	109.4613	0.046	9	109.4613	0.002	9	109.4613	0.002	9	108.4129	12.683	19	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:Br-1:H-1:H-1:	C-4:	C[5a]-3:C-4:B-4:C-4:	C(PC[5a]BC)(Br)(H)2	H(CBrHP)	P(C[5a]C[5a]S[5a])(CBrHH)(BH3)(CC3)	C(PC[5a]BC)(Br)(H)2	H(CBrHP)	P(C[5a]C[5a]S[5a])(CBrHH)(BH3)(CC3)	109.3810	0.057	2	109.3810	0.003	2	109.3810	0.003	2	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	As[6a]-3:C-4:C-4:C-4:	C(PAs[6a]CC)(H)3	H(CHHP)	P(As[6a]C[6a,6a]2)(CH3)3	C(PAs[6a]CC)(H)3	H(CHHP)	P(As[6a]C[6a,6a]2)(CH3)3	109.4719	0.034	15	109.4719	0.001	15	109.4695	0.001	24	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	As[6a]-3:C-4:C-4:C-4:	C(PAs[6a]CC)(H)3	H(CHHP)	P(As[6a]C[6a,6a]2)(CHHP)(CH3)2	C(PAs[6a]CC)(H)3	H(CHHP)	P(As[6a]C[6a,6a]2)(CHHP)(CH3)2	109.4656	0.041	9	109.4656	0.002	9	109.4695	0.001	24	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B-3:C-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(BC[5]Cl)(CH3)3	C(PBCC)(H)3	H(CHHP)	P(BC[5]Cl)(CH3)3	109.4852	0.022	6	109.4852	0.000	6	109.4836	0.001	13	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B-3:C-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(BC[6a]B)(CH3)3	C(PBCC)(H)3	H(CHHP)	P(BC[6a]B)(CH3)3	109.4823	0.028	7	109.4823	0.001	7	109.4836	0.001	13	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B[6]-3:C-4:C-4:C-4:	C(PB[6]CC)(H)3	H(CHHP)	P(B[6]C[6]2)(CB[6]HH)(CH3)2	C(PB[6]CC)(H)3	H(CHHP)	P(B[6]C[6]2)(CB[6]HH)(CH3)2	109.4747	0.061	6	109.4747	0.004	6	109.4747	0.004	6	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B[6a]-3:C-4:C-4:C-4:	C(PB[6a]CC)(H)3	H(CHHP)	P(B[6a]C[6a]N[6a])(CH3)3	C(PB[6a]CC)(H)3	H(CHHP)	P(B[6a]C[6a]N[6a])(CH3)3	109.5781	1.099	9	109.5781	1.208	9	109.5781	1.208	9	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-3:B-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(CSi2)(BH3)(CH3)2	C(PBCC)(H)3	H(CHHP)	P(CSi2)(BH3)(CH3)2	109.4678	0.028	24	109.4678	0.001	24	109.4678	0.001	24	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-3:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CRuC)(CH3)3	C(PC3)(H)3	H(CHHP)	P(CRuC)(CH3)3	109.4626	0.032	5	109.4626	0.001	5	109.4626	0.001	5	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-3:C-4:C-4:C-4:	C(PC[5]CC)(H)3	H(CHHP)	P(C[5]C[5,6a]2)(CH3)3	C(PC[5]CC)(H)3	H(CHHP)	P(C[5]C[5,6a]2)(CH3)3	109.4797	0.028	12	109.4797	0.001	12	109.4722	0.001	15	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-3:C-4:C-4:C-4:	C(PC[5]CC)(H)3	H(CHHP)	P(C[5]C[5]2)(CC3)2(CH3)	C(PC[5]CC)(H)3	H(CHHP)	P(C[5]C[5]2)(CC3)2(CH3)	109.4423	0.021	3	109.4423	0.000	3	109.4722	0.001	15	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5a]-3:B-4:C-4:C-4:	C(PC[5a]BC)(H)3	H(CHHP)	P(C[5a]C[5a]S[5a])(BH3)(CC3)(CH3)	C(PC[5a]BC)(H)3	H(CHHP)	P(C[5a]C[5a]S[5a])(BH3)(CC3)(CH3)	109.4673	0.021	3	109.4673	0.000	3	109.4673	0.000	3	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5a]-3:C-4:C-4:C-4:	C(PC[5a]CC)(H)3	H(CHHP)	P(C[5a]N[5a]2)(CC3)2(CH3)	C(PC[5a]CC)(H)3	H(CHHP)	P(C[5a]N[5a]2)(CC3)2(CH3)	109.4500	0.020	3	109.4500	0.000	3	109.4500	0.000	3	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:B-4:C-4:C-4:	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(BCl3)(CH3)2	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(BCl3)(CH3)2	109.4708	0.027	6	109.4708	0.001	6	109.4204	0.156	46	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:B-4:C-4:C-4:	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(BH3)(CC3)(CH3)	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(BH3)(CC3)(CH3)	109.4707	0.031	6	109.4707	0.001	6	109.4204	0.156	46	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:B-4:C-4:C-4:	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(BHHP)(CH3)2	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(BHHP)(CH3)2	109.4026	0.459	34	109.4026	0.211	34	109.4204	0.156	46	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:B-4:C-4:	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CC[6a]2Si)(BH3)(CH3)	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CC[6a]2Si)(BH3)(CH3)	108.7103	5.278	3	108.7103	27.862	3	109.2381	6.325	10	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:B-4:C-4:	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CC[6a]CH)(BH3)(CH3)	C(PC[6a]BC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CC[6a]CH)(BH3)(CH3)	109.4643	0.027	7	109.4643	0.001	7	109.2381	6.325	10	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CCCH)2(CH3)	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CCCH)2(CH3)	109.4923	0.032	3	109.4923	0.001	3	109.5294	1.444	78	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CCHH)2(CH3)	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CCHH)2(CH3)	109.4757	0.047	3	109.4757	0.002	3	109.5294	1.444	78	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)2	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)2	109.4584	0.014	5	109.4584	0.000	5	109.5294	1.444	78	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)2	109.4627	0.023	6	109.4627	0.001	6	109.5294	1.444	78	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CH3)2	109.4686	0.029	14	109.4686	0.001	14	109.5294	1.444	78	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)3	C(PC[6a]CC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(CH3)3	109.5694	1.553	47	109.5694	2.412	47	109.5294	1.444	78	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[5]-4:B-4:C-4:	C(PC[6a]C[5]B)(H)3	H(CHHP)	P(C[6a]C[6a]2)(C[5]C[5]2H)(BH3)(CH3)	C(PC[6a]C[5]B)(H)3	H(CHHP)	P(C[6a]C[6a]2)(C[5]C[5]2H)(BH3)(CH3)	109.4584	0.035	5	109.4584	0.001	5	109.4584	0.001	5	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:C[6]-4:B-4:C-4:	C(PC[6a]C[6]B)(H)3	H(CHHP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(CH3)	C(PC[6a]C[6]B)(H)3	H(CHHP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(BH3)(CH3)	109.4753	0.030	3	109.4753	0.001	3	109.4753	0.001	3	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Ge-3:C-4:C-4:C-4:	C(PGeCC)(H)3	H(CHHP)	P(GeCC)(CH3)3	C(PGeCC)(H)3	H(CHHP)	P(GeCC)(CH3)3	109.4813	0.026	6	109.4813	0.001	6	109.4756	0.001	11	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Ge-3:C-4:C-4:C-4:	C(PGeCC)(H)3	H(CHHP)	P(GeSiC)(CH3)3	C(PGeCC)(H)3	H(CHHP)	P(GeSiC)(CH3)3	109.4688	0.030	5	109.4688	0.001	5	109.4756	0.001	11	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Ge[5]-3:C-4:C-4:C-4:	C(PGe[5]CC)(H)3	H(CHHP)	P(Ge[5]Si[5]2)(CH3)3	C(PGe[5]CC)(H)3	H(CHHP)	P(Ge[5]Si[5]2)(CH3)3	109.4701	0.030	7	109.4701	0.001	7	109.4701	0.001	7	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	N-3:B-4:C-4:C-4:	C(PBCN)(H)3	H(CHHP)	P(NC[5]H)(BH3)(CC3)(CH3)	C(PBCN)(H)3	H(CHHP)	P(NC[5]H)(BH3)(CC3)(CH3)	109.4760	0.040	6	109.4760	0.002	6	109.4737	0.001	9	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	N-3:B-4:C-4:C-4:	C(PBCN)(H)3	H(CHHP)	P(NC[6a]2)(BH3)(CC3)(CH3)	C(PBCN)(H)3	H(CHHP)	P(NC[6a]2)(BH3)(CC3)(CH3)	109.4690	0.022	3	109.4690	0.000	3	109.4737	0.001	9	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	N-3:C-4:C-4:C-4:	C(PCCN)(H)3	H(CHHP)	P(NCuC)(CH3)3	C(PCCN)(H)3	H(CHHP)	P(NCuC)(CH3)3	109.4632	0.027	13	109.4632	0.001	13	109.4632	0.001	13	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	N[5]-3:C-4:C-4:C-4:	C(PN[5]CC)(H)3	H(CHHP)	P(N[5]C[5,6a]N[5])(CH3)3	C(PN[5]CC)(H)3	H(CHHP)	P(N[5]C[5,6a]N[5])(CH3)3	109.4649	0.033	7	109.4649	0.001	7	109.4649	0.001	7	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P-3:C-4:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(PC[6]P)(CH3)3	C(PCCP)(H)3	H(CHHP)	P(PC[6]P)(CH3)3	109.4663	0.044	18	109.4663	0.002	18	109.1908	0.862	66	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P-3:C-4:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(PC[6a]2)(CCHH)(CH3)2	C(PCCP)(H)3	H(CHHP)	P(PC[6a]2)(CCHH)(CH3)2	109.4720	0.042	25	109.4720	0.002	25	109.1908	0.862	66	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P-3:C-4:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(PC[6a]2)(CH3)3	C(PCCP)(H)3	H(CHHP)	P(PC[6a]2)(CH3)3	109.4754	0.043	8	109.4754	0.002	8	109.1908	0.862	66	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P-3:C-4:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(PC[6a]2)(CHHP)(CH3)2	C(PCCP)(H)3	H(CHHP)	P(PC[6a]2)(CHHP)(CH3)2	109.4766	0.045	7	109.4766	0.002	7	109.1908	0.862	66	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P-3:C-4:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(PC[6a]P)(CH3)3	C(PCCP)(H)3	H(CHHP)	P(PC[6a]P)(CH3)3	107.1581	1.618	8	107.1581	2.616	8	109.1908	0.862	66	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P[4,4]-3:C-4:C-4:C-4:	C(PP[4,4]CC)(H)3	H(CHHP)	P(P[4,4]C[3,4,4]2)(CH3)3	C(PP[4,4]CC)(H)3	H(CHHP)	P(P[4,4]C[3,4,4]2)(CH3)3	109.4722	0.023	5	109.4722	0.001	5	109.4722	0.001	5	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P[4]-3:C-4:C-4:C-4:	C(PP[4]CC)(H)3	H(CHHP)	P(P[4]N[4]2)(CH3)3	C(PP[4]CC)(H)3	H(CHHP)	P(P[4]N[4]2)(CH3)3	108.2947	1.384	9	108.2947	1.916	9	108.2947	1.916	9	109.3945	0.733	373	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:5:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:In-5:C-4:C-4:	C(PC[6a]InC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(InBr3P)(CH3)2	C(PC[6a]InC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(InBr3P)(CH3)2	109.5303	0.162	9	109.5303	0.026	9	109.5303	0.026	9	109.5303	0.026	9	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	3:6:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6a]-3:Nb-6:C-4:C-4:	C(PC[6a]NbC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(NbCl2O3)(CH3)2	C(PC[6a]NbC)(H)3	H(CHHP)	P(C[6a]C[6a]2)(NbCl2O3)(CH3)2	109.4980	0.067	6	109.4980	0.005	6	109.4980	0.005	6	109.4980	0.005	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:2:1:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(PO3)(H)3	H(CHHP)	P(CH3)(OH)(O)2	C(PO3)(H)3	H(CHHP)	P(CH3)(OH)(O)2	108.4107	2.573	3	108.4107	6.618	3	108.4107	6.618	3	108.4107	6.618	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:2:2:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(H)3	H(CHHP)	P(CH3)(OC)2(O)	C(PO3)(H)3	H(CHHP)	P(CH3)(OC)2(O)	109.4775	0.045	2	109.4775	0.002	2	109.9623	0.278	19	109.8928	0.271	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:2:2:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(H)3	H(CHHP)	P(CH3)(OH)2(O)	C(PO3)(H)3	H(CHHP)	P(CH3)(OH)2(O)	109.4741	0.023	7	109.4741	0.001	7	109.9623	0.278	19	109.8928	0.271	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:2:2:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(H)3	H(CHHP)	P(CH3)(OSn)(OH)(O)	C(PO3)(H)3	H(CHHP)	P(CH3)(OSn)(OH)(O)	110.4010	0.323	10	110.4010	0.105	10	109.9623	0.278	19	109.8928	0.271	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:2:2:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:O-2:O-2:S-1:	C(POOS)(H)3	H(CHHP)	P(CH3)(OC)2(S)	C(POOS)(H)3	H(CHHP)	P(CH3)(OC)2(S)	109.4527	0.007	3	109.4527	0.000	3	109.4527	0.000	3	109.8928	0.271	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:3:3:3:	P-4:F-1:H-1:H-1:	C-4:	C-4:N-3:N-3:N-3:	C(PN3)(F)(H)2	H(CFHP)	P(CFHH)(NCC)3	C(PN3)(F)(H)2	H(CFHP)	P(CFHH)(NCC)3	109.1253	0.041	3	109.1253	0.002	3	109.1253	0.002	3	109.1253	0.002	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[5]C[5]2Cr)(C[6a]C[6a]2)2(CH3)	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[5]C[5]2Cr)(C[6a]C[6a]2)2(CH3)	109.4590	0.037	3	109.4590	0.001	3	109.4651	0.002	17	109.4651	0.002	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[5]C[5]2Mo)(C[6a]C[6a]2)2(CH3)	C(PC[6a]2C[5])(H)3	H(CHHP)	P(C[5]C[5]2Mo)(C[6a]C[6a]2)2(CH3)	109.4664	0.048	14	109.4664	0.002	14	109.4651	0.002	17	109.4651	0.002	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:3:4:1:	P-4:H-1:H-1:H-1:	C-4:	Ga-4:N-3:C-4:Cl-1:	C(PClGaN)(H)3	H(CHHP)	P(GaCl3)(NSiN)(CH3)(Cl)	C(PClGaN)(H)3	H(CHHP)	P(GaCl3)(NSiN)(CH3)(Cl)	109.4617	0.019	3	109.4617	0.000	3	109.4617	0.000	3	109.4617	0.000	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:P-3:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(CCHH)(PMoN)(CH3)2	C(PCCP)(H)3	H(CHHP)	P(CCHH)(PMoN)(CH3)2	109.4772	0.035	6	109.4772	0.001	6	109.4747	0.001	11	109.4794	0.001	25	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:P-3:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(CHHP)(PMoN)(CH3)2	C(PCCP)(H)3	H(CHHP)	P(CHHP)(PMoN)(CH3)2	109.4718	0.031	5	109.4718	0.001	5	109.4747	0.001	11	109.4794	0.001	25	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-4:C[5]-3:C-4:C-4:	C(PC[5]2C)(H)3	H(CHHP)	P(C[5]C[5,6a]2H)(C[5]C[5,6a]2)(CH3)2	C(PC[5]2C)(H)3	H(CHHP)	P(C[5]C[5,6a]2H)(C[5]C[5,6a]2)(CH3)2	109.4720	0.019	4	109.4720	0.000	4	109.4720	0.000	4	109.4794	0.001	25	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-4:C[6a]-3:B-4:C-4:	C(PC[6a]C[5]B)(H)3	H(CHHP)	P(C[5]C[5]O[5]H)(C[6a]C[6a]2)(BH3)(CH3)	C(PC[6a]C[5]B)(H)3	H(CHHP)	P(C[5]C[5]O[5]H)(C[6a]C[6a]2)(BH3)(CH3)	109.4920	0.041	4	109.4920	0.002	4	109.4920	0.002	4	109.4794	0.001	25	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-4:C[6a]-3:C-4:C-4:	C(PC[6a]C[5]C)(H)3	H(CHHP)	P(C[5]C[5,6]C[5]Ru)(C[6a]C[6a]2)(CH3)2	C(PC[6a]C[5]C)(H)3	H(CHHP)	P(C[5]C[5,6]C[5]Ru)(C[6a]C[6a]2)(CH3)2	109.4843	0.034	6	109.4843	0.001	6	109.4843	0.001	6	109.4794	0.001	25	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:2:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:N-2:Br-1:	C(PBrCN)(H)3	H(CHHP)	P(CH3)2(NSi)(Br)	C(PBrCN)(H)3	H(CHHP)	P(CH3)2(NSi)(Br)	109.4787	0.030	4	109.4787	0.001	4	109.4787	0.001	4	109.5349	0.648	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:2:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:O-2:H-1:	C(PCHO)(H)3	H(CHHP)	P(CC3)(CH3)(OB)(H)	C(PCHO)(H)3	H(CHHP)	P(CC3)(CH3)(OB)(H)	109.4600	0.018	2	109.4600	0.000	2	109.4600	0.000	2	109.5349	0.648	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:2:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(PCOO)(H)3	H(CHHP)	P(CCHH)(CH3)(OH)(O)	C(PCOO)(H)3	H(CHHP)	P(CCHH)(CH3)(OH)(O)	109.6667	1.473	6	109.6667	2.171	6	109.6167	1.559	8	109.5349	0.648	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:2:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(PCOO)(H)3	H(CHHP)	P(CC[6a]HH)(CH3)(OH)(O)	C(PCOO)(H)3	H(CHHP)	P(CC[6a]HH)(CH3)(OH)(O)	109.4670	0.014	2	109.4670	0.000	2	109.6167	1.559	8	109.5349	0.648	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:2:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:O-2:S-1:	C(PCOS)(H)3	H(CHHP)	P(CH3)2(OC)(S)	C(PCOS)(H)3	H(CHHP)	P(CH3)2(OC)(S)	109.4650	0.047	4	109.4650	0.002	4	109.4650	0.002	4	109.5349	0.648	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:2:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:N-2:N-2:	C(PCNN)(H)3	H(CHHP)	P(CH3)2(NP)2	C(PCNN)(H)3	H(CHHP)	P(CH3)2(NP)2	109.4825	0.015	4	109.4825	0.000	4	109.4825	0.000	4	109.4672	0.002	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:2:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:N-2:O-2:	C(PCNO)(H)3	H(CHHP)	P(CH3)2(NSi)(OP)	C(PCNO)(H)3	H(CHHP)	P(CH3)2(NSi)(OP)	109.4797	0.064	4	109.4797	0.004	4	109.4797	0.004	4	109.4672	0.002	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:2:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:O-2:N-2:	C(PCNO)(H)3	H(CHHP)	P(CH3)2(OBi)(NP)	C(PCNO)(H)3	H(CHHP)	P(CH3)2(OBi)(NP)	109.4400	0.070	5	109.4400	0.005	5	109.4661	0.002	27	109.4672	0.002	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:2:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:O-2:N-2:	C(PCNO)(H)3	H(CHHP)	P(CH3)2(OSi)(NP)	C(PCNO)(H)3	H(CHHP)	P(CH3)2(OSi)(NP)	109.4720	0.032	22	109.4720	0.001	22	109.4661	0.002	27	109.4672	0.002	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:2:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:O-2:O-2:	C(PCOO)(H)3	H(CHHP)	P(CH3)2(ORh)2	C(PCOO)(H)3	H(CHHP)	P(CH3)2(ORh)2	109.4580	0.043	9	109.4580	0.002	9	109.4580	0.002	9	109.4672	0.002	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:3:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:N-3:S-1:	C(PCNS)(H)3	H(CHHP)	P(CH3)2(NHN)(S)	C(PCNS)(H)3	H(CHHP)	P(CH3)2(NHN)(S)	108.6046	2.397	18	108.6046	5.748	18	108.6046	5.748	18	108.6046	5.748	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:3:3:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:P-3:P-3:	C(PCPP)(H)3	H(CHHP)	P(CH3)2(PCC)2	C(PCPP)(H)3	H(CHHP)	P(CH3)2(PCC)2	109.4543	0.045	6	109.4543	0.002	6	109.4543	0.002	6	109.4543	0.002	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[6]-4:C[6]-4:P-3:C-4:	C(PC[6]2P)(H)3	H(CHHP)	P(C[6]C[6]2H)2(PC[6a]P)(CH3)	C(PC[6]2P)(H)3	H(CHHP)	P(C[6]C[6]2H)2(PC[6a]P)(CH3)	109.4633	0.020	7	109.4633	0.000	7	109.4633	0.000	7	109.4633	0.000	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:H-1:	C(PBCH)(H)3	H(CHHP)	P(BCHH)(CH3)2(H)	C(PBCH)(H)3	H(CHHP)	P(BCHH)(CH3)2(H)	109.4658	0.039	5	109.4658	0.001	5	109.4658	0.001	5	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:O-1:	C(PBCO)(H)3	H(CHHP)	P(BH3)(CC3)(CH3)(O)	C(PBCO)(H)3	H(CHHP)	P(BH3)(CC3)(CH3)(O)	109.4610	0.020	5	109.4610	0.000	5	109.4610	0.000	5	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:F-1:	C(PCCF)(H)3	H(CHHP)	P(CH3)3(F)	C(PCCF)(H)3	H(CHHP)	P(CH3)3(F)	108.0878	2.536	10	108.0878	6.431	10	108.0878	6.431	10	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:Ge-1:	C(PGeCC)(H)3	H(CHHP)	P(CCHH)(CH3)2(Ge)	C(PGeCC)(H)3	H(CHHP)	P(CCHH)(CH3)2(Ge)	109.4843	0.037	4	109.4843	0.001	4	109.4843	0.001	4	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(PCCH)(H)3	H(CHHP)	P(CC3)2(CH3)(H)	C(PCCH)(H)3	H(CHHP)	P(CC3)2(CH3)(H)	109.4933	0.009	3	109.4933	0.000	3	109.2877	3.504	63	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(PCCH)(H)3	H(CHHP)	P(CH3)3(H)	C(PCCH)(H)3	H(CHHP)	P(CH3)3(H)	109.2774	1.918	60	109.2774	3.680	60	109.2877	3.504	63	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(H)3	H(CHHP)	P(CCHH)(CH3)2(O)	C(PCCO)(H)3	H(CHHP)	P(CCHH)(CH3)2(O)	109.4606	0.029	5	109.4606	0.001	5	109.3812	0.949	75	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(H)3	H(CHHP)	P(CH3)3(O)	C(PCCO)(H)3	H(CHHP)	P(CH3)3(O)	109.4952	0.039	5	109.4952	0.002	5	109.3812	0.949	75	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(H)3	H(CHHP)	P(CHHN)(CH3)2(O)	C(PCCO)(H)3	H(CHHP)	P(CHHN)(CH3)2(O)	109.3204	1.522	28	109.3204	2.318	28	109.3812	0.949	75	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(H)3	H(CHHP)	P(CHHO)(CH3)2(O)	C(PCCO)(H)3	H(CHHP)	P(CHHO)(CH3)2(O)	109.4879	0.052	13	109.4879	0.003	13	109.3812	0.949	75	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(H)3	H(CHHP)	P(CHHP)(CH3)2(O)	C(PCCO)(H)3	H(CHHP)	P(CHHP)(CH3)2(O)	109.3541	0.561	24	109.3541	0.315	24	109.3812	0.949	75	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(PCCS)(H)3	H(CHHP)	P(CCHH)(CC3)(CH3)(S)	C(PCCS)(H)3	H(CHHP)	P(CCHH)(CC3)(CH3)(S)	109.4792	0.019	6	109.4792	0.000	6	109.4792	0.000	6	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	C[6]-4:C-4:C-4:O-1:	C(PC[6]CO)(H)3	H(CHHP)	P(C[6]C[6]2H)(CC3)(CH3)(O)	C(PC[6]CO)(H)3	H(CHHP)	P(C[6]C[6]2H)(CC3)(CH3)(O)	109.5077	0.055	3	109.5077	0.003	3	109.5077	0.003	3	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:1:	P-4:H-1:H-1:H-1:	C-4:	P-4:C-4:C-4:S-1:	C(PCPS)(H)3	H(CHHP)	P(PCCS)(CH3)2(S)	C(PCPS)(H)3	H(CHHP)	P(PCCS)(CH3)2(S)	109.0698	0.956	9	109.0698	0.914	9	109.0698	0.914	9	109.2733	2.061	180	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:N-2:	C(PBCN)(H)3	H(CHHP)	P(BH3)(CC3)(CH3)(NC)	C(PBCN)(H)3	H(CHHP)	P(BH3)(CC3)(CH3)(NC)	109.4810	0.024	3	109.4810	0.001	3	109.4810	0.001	3	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:O-2:	C(PBCO)(H)3	H(CHHP)	P(BH3)(CC3)(CH3)(OC)	C(PBCO)(H)3	H(CHHP)	P(BH3)(CC3)(CH3)(OC)	109.4770	0.021	3	109.4770	0.000	3	109.4770	0.000	3	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:N-2:	C(PCCN)(H)3	H(CHHP)	P(CH3)3(NP)	C(PCCN)(H)3	H(CHHP)	P(CH3)3(NP)	109.4759	0.039	22	109.4759	0.002	22	109.4759	0.002	22	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(H)3	H(CHHP)	P(CC3)2(CH3)(OSn)	C(PCCO)(H)3	H(CHHP)	P(CC3)2(CH3)(OSn)	109.5033	0.034	3	109.5033	0.001	3	109.4703	0.003	82	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(H)3	H(CHHP)	P(CCHH)(CH3)2(OH)	C(PCCO)(H)3	H(CHHP)	P(CCHH)(CH3)2(OH)	109.4638	0.032	5	109.4638	0.001	5	109.4703	0.003	82	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(H)3	H(CHHP)	P(CH3)3(OMo)	C(PCCO)(H)3	H(CHHP)	P(CH3)3(OMo)	109.4570	0.078	21	109.4570	0.006	21	109.4703	0.003	82	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(H)3	H(CHHP)	P(CH3)3(ONi)	C(PCCO)(H)3	H(CHHP)	P(CH3)3(ONi)	109.4699	0.038	16	109.4699	0.001	16	109.4703	0.003	82	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(H)3	H(CHHP)	P(CH3)3(OSb)	C(PCCO)(H)3	H(CHHP)	P(CH3)3(OSb)	109.4800	0.065	17	109.4800	0.004	17	109.4703	0.003	82	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(H)3	H(CHHP)	P(CH3)3(OSi)	C(PCCO)(H)3	H(CHHP)	P(CH3)3(OSi)	109.4778	0.025	6	109.4778	0.001	6	109.4703	0.003	82	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(H)3	H(CHHP)	P(CH3)3(OV)	C(PCCO)(H)3	H(CHHP)	P(CH3)3(OV)	109.4768	0.034	6	109.4768	0.001	6	109.4703	0.003	82	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(H)3	H(CHHP)	P(CHHN)(CH3)2(OCo)	C(PCCO)(H)3	H(CHHP)	P(CHHN)(CH3)2(OCo)	109.4690	0.016	5	109.4690	0.000	5	109.4703	0.003	82	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(H)3	H(CHHP)	P(CHHN)(CH3)2(OMn)	C(PCCO)(H)3	H(CHHP)	P(CHHN)(CH3)2(OMn)	109.4620	0.021	3	109.4620	0.000	3	109.4703	0.003	82	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:P-4:N-2:	C(PCNP)(H)3	H(CHHP)	P(CH3)2(PC3)(NSi)	C(PCNP)(H)3	H(CHHP)	P(CH3)2(PC3)(NSi)	109.4859	0.063	26	109.4859	0.004	26	109.4859	0.004	26	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	C[6]-4:C[6]-4:C-4:P-2:	C(PC[6]2P)(H)3	H(CHHP)	P(C[6]C[6]2H)2(CH3)(PP)	C(PC[6]2P)(H)3	H(CHHP)	P(C[6]C[6]2H)2(CH3)(PP)	109.4783	0.034	4	109.4783	0.001	4	109.4783	0.001	4	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:2:	P-4:H-1:H-1:H-1:	C-4:	P-4:C-4:C-4:S-2:	C(PCPS)(H)3	H(CHHP)	P(PCCS)(CH3)2(SCu)	C(PCPS)(H)3	H(CHHP)	P(PCCS)(CH3)2(SCu)	109.4661	0.044	12	109.4661	0.002	12	109.4661	0.002	12	109.4740	0.003	152	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:C-3:	C(PBCC)(H)3	H(CHHP)	P(BH3)(CH3)2(CHH)	C(PBCC)(H)3	H(CHHP)	P(BH3)(CH3)2(CHH)	109.4658	0.023	5	109.4658	0.001	5	109.4658	0.001	5	109.4739	0.006	87	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:N-3:	C(PBCN)(H)3	H(CHHP)	P(BH3)(CC3)(CH3)(NCN)	C(PBCN)(H)3	H(CHHP)	P(BH3)(CC3)(CH3)(NCN)	109.4837	0.023	3	109.4837	0.001	3	109.4837	0.001	3	109.4739	0.006	87	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:B-3:	C(PBCC)(H)3	H(CHHP)	P(CH3)3(BBP)	C(PBCC)(H)3	H(CHHP)	P(CH3)3(BBP)	109.4689	0.021	7	109.4689	0.000	7	109.4689	0.000	7	109.4739	0.006	87	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-3:	C(PC3)(H)3	H(CHHP)	P(CC3)2(CH3)(CCH)	C(PC3)(H)3	H(CHHP)	P(CC3)2(CH3)(CCH)	109.4757	0.053	3	109.4757	0.003	3	109.4600	0.002	10	109.4739	0.006	87	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-3:	C(PC3)(H)3	H(CHHP)	P(CH3)3(CCH)	C(PC3)(H)3	H(CHHP)	P(CH3)3(CCH)	109.4533	0.036	7	109.4533	0.001	7	109.4600	0.002	10	109.4739	0.006	87	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:N-3:	C(PCCN)(H)3	H(CHHP)	P(CH3)3(NHN)	C(PCCN)(H)3	H(CHHP)	P(CH3)3(NHN)	109.4497	0.239	8	109.4497	0.057	8	109.4497	0.057	8	109.4739	0.006	87	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:P-3:	C(PCCP)(H)3	H(CHHP)	P(CCHH)(CH3)2(PNW)	C(PCCP)(H)3	H(CHHP)	P(CCHH)(CH3)2(PNW)	109.5105	0.029	4	109.5105	0.001	4	109.4809	0.001	54	109.4739	0.006	87	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:P-3:	C(PCCP)(H)3	H(CHHP)	P(CH3)3(PCP)	C(PCCP)(H)3	H(CHHP)	P(CH3)3(PCP)	109.4784	0.028	28	109.4784	0.001	28	109.4809	0.001	54	109.4739	0.006	87	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:P-3:	C(PCCP)(H)3	H(CHHP)	P(CH3)3(PNP)	C(PCCP)(H)3	H(CHHP)	P(CH3)3(PNP)	109.4799	0.043	17	109.4799	0.002	17	109.4809	0.001	54	109.4739	0.006	87	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:3:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:P-3:	C(PCCP)(H)3	H(CHHP)	P(CHHP)(CH3)2(PNW)	C(PCCP)(H)3	H(CHHP)	P(CHHP)(CH3)2(PNW)	109.4752	0.035	5	109.4752	0.001	5	109.4809	0.001	54	109.4739	0.006	87	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(Cl)(H)2	H(CClHP)	P(CClHH)(CH3)3	C(PC3)(Cl)(H)2	H(CClHP)	P(CClHH)(CH3)3	109.3160	0.013	2	109.3160	0.000	2	109.8867	8.055	10	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:Cl-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(Cl)(H)2	H(CClHP)	P(CClHH)4	C(PC3)(Cl)(H)2	H(CClHP)	P(CClHH)4	110.0294	3.200	8	110.0294	10.240	8	109.8867	8.055	10	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:F-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(F)(H)2	H(CFHP)	P(CCHH)3(CFHH)	C(PC3)(F)(H)2	H(CFHP)	P(CCHH)3(CFHH)	110.3210	0.021	2	110.3210	0.000	2	110.6838	0.176	4	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:F-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(F)(H)2	H(CFHP)	P(CFHH)(CH3)3	C(PC3)(F)(H)2	H(CFHP)	P(CFHH)(CH3)3	111.0465	0.015	2	111.0465	0.000	2	110.6838	0.176	4	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	As-4:C-4:C-4:C-4:	C(PAsCC)(H)3	H(CHHP)	P(AsHWW)(CCCH)2(CH3)	C(PAsCC)(H)3	H(CHHP)	P(AsHWW)(CCCH)2(CH3)	109.4805	0.033	2	109.4805	0.001	2	109.4805	0.001	2	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(BC[6a]3)(CH3)3	C(PBCC)(H)3	H(CHHP)	P(BC[6a]3)(CH3)3	111.2210	2.173	7	111.2210	4.722	7	109.7802	1.167	55	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(BC[6a]BrB)(CH3)3	C(PBCC)(H)3	H(CHHP)	P(BC[6a]BrB)(CH3)3	109.4613	0.037	6	109.4613	0.001	6	109.7802	1.167	55	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(BC[6a]ClB)(CH3)3	C(PBCC)(H)3	H(CHHP)	P(BC[6a]ClB)(CH3)3	109.4742	0.020	6	109.4742	0.000	6	109.7802	1.167	55	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(BC[6a]ZnB)(CH3)3	C(PBCC)(H)3	H(CHHP)	P(BC[6a]ZnB)(CH3)3	109.4810	0.040	21	109.4810	0.002	21	109.7802	1.167	55	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(BCl2B)(CH3)3	C(PBCC)(H)3	H(CHHP)	P(BCl2B)(CH3)3	109.4682	0.017	4	109.4682	0.000	4	109.7802	1.167	55	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(BF3)(CH3)3	C(PBCC)(H)3	H(CHHP)	P(BF3)(CH3)3	110.3856	1.889	5	110.3856	3.567	5	109.7802	1.167	55	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(BHHN)(CH3)3	C(PBCC)(H)3	H(CHHP)	P(BHHN)(CH3)3	109.4748	0.030	6	109.4748	0.001	6	109.7802	1.167	55	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B[5]-4:C-4:C-4:C-4:	C(PB[5]CC)(H)3	H(CHHP)	P(B[5]C[5,6a]B[5]P)(CH3)3	C(PB[5]CC)(H)3	H(CHHP)	P(B[5]C[5,6a]B[5]P)(CH3)3	109.4589	0.040	10	109.4589	0.002	10	109.4589	0.002	10	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B[5a]-4:C-4:C-4:C-4:	C(PB[5a]CC)(H)3	H(CHHP)	P(B[5a]O[5a]2Cl)(CH3)3	C(PB[5a]CC)(H)3	H(CHHP)	P(B[5a]O[5a]2Cl)(CH3)3	109.4731	0.026	7	109.4731	0.001	7	109.4731	0.001	7	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B[6,6]-4:C-4:C-4:C-4:	C(PB[6,6]CC)(H)3	H(CHHP)	P(B[6,6]C[6,6]2H)(CH3)3	C(PB[6,6]CC)(H)3	H(CHHP)	P(B[6,6]C[6,6]2H)(CH3)3	109.4660	0.016	5	109.4660	0.000	5	109.4660	0.000	5	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B[6]-4:C-4:C-4:C-4:	C(PB[6]CC)(H)3	H(CHHP)	P(B[6]B[6]P[6]H)(CH3)3	C(PB[6]CC)(H)3	H(CHHP)	P(B[6]B[6]P[6]H)(CH3)3	109.4728	0.029	6	109.4728	0.001	6	109.4707	0.001	10	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B[6]-4:C-4:C-4:C-4:	C(PB[6]CC)(H)3	H(CHHP)	P(B[6]C[6,6a]B[6]Br)(CH3)3	C(PB[6]CC)(H)3	H(CHHP)	P(B[6]C[6,6a]B[6]Br)(CH3)3	109.4675	0.016	4	109.4675	0.000	4	109.4707	0.001	10	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(CCHH)(BH3)(CC3)(CH3)	C(PBCC)(H)3	H(CHHP)	P(CCHH)(BH3)(CC3)(CH3)	109.4727	0.037	9	109.4727	0.001	9	109.4686	0.001	38	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(CSi2H)(BH3)(CH3)2	C(PBCC)(H)3	H(CHHP)	P(CSi2H)(BH3)(CH3)2	109.4681	0.022	10	109.4681	0.000	10	109.4686	0.001	38	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(CSiHH)(BH3)(CC3)(CH3)	C(PBCC)(H)3	H(CHHP)	P(CSiHH)(BH3)(CC3)(CH3)	109.4615	0.023	6	109.4615	0.001	6	109.4686	0.001	38	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(CSiHH)(BH3)(CH3)2	C(PBCC)(H)3	H(CHHP)	P(CSiHH)(BH3)(CH3)2	109.4548	0.014	4	109.4548	0.000	4	109.4686	0.001	38	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(CSiSnH)(BH3)(CH3)2	C(PBCC)(H)3	H(CHHP)	P(CSiSnH)(BH3)(CH3)2	109.4761	0.046	9	109.4761	0.002	9	109.4686	0.001	38	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CC3)(CH3)3	C(PC3)(H)3	H(CHHP)	P(CC3)(CH3)3	109.4700	0.024	6	109.4700	0.001	6	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CCHH)(CC3)2(CH3)	C(PC3)(H)3	H(CHHP)	P(CCHH)(CC3)2(CH3)	109.4700	0.041	6	109.4700	0.002	6	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CCHH)(CH3)3	C(PC3)(H)3	H(CHHP)	P(CCHH)(CH3)3	109.6726	0.464	80	109.6726	0.215	80	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CCHH)2(CH3)2	C(PC3)(H)3	H(CHHP)	P(CCHH)2(CH3)2	109.4890	0.023	3	109.4890	0.001	3	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CCHH)3(CH3)	C(PC3)(H)3	H(CHHP)	P(CCHH)3(CH3)	109.4709	0.031	15	109.4709	0.001	15	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CC[6a]2Co)(CH3)3	C(PC3)(H)3	H(CHHP)	P(CC[6a]2Co)(CH3)3	110.1586	1.025	9	110.1586	1.050	9	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CC[6a]CH)(CH3)3	C(PC3)(H)3	H(CHHP)	P(CC[6a]CH)(CH3)3	109.4694	0.018	5	109.4694	0.000	5	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CC[6a]HH)(CC3)2(CH3)	C(PC3)(H)3	H(CHHP)	P(CC[6a]HH)(CC3)2(CH3)	109.4343	0.079	11	109.4343	0.006	11	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CClHH)(CH3)3	C(PC3)(H)3	H(CHHP)	P(CClHH)(CH3)3	109.4554	0.034	7	109.4554	0.001	7	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CF3)3(CH3)	C(PC3)(H)3	H(CHHP)	P(CF3)3(CH3)	106.4877	0.831	3	106.4877	0.690	3	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CFHH)(CH3)3	C(PC3)(H)3	H(CHHP)	P(CFHH)(CH3)3	109.4683	0.042	7	109.4683	0.002	7	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CH3)4	C(PC3)(H)3	H(CHHP)	P(CH3)4	108.5659	1.816	78	108.5659	3.298	78	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CHHO)(CH3)3	C(PC3)(H)3	H(CHHP)	P(CHHO)(CH3)3	109.4098	0.125	22	109.4098	0.016	22	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CHHP)(CH3)3	C(PC3)(H)3	H(CHHP)	P(CHHP)(CH3)3	109.4683	0.044	11	109.4683	0.002	11	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CReCC)(CH3)3	C(PC3)(H)3	H(CHHP)	P(CReCC)(CH3)3	109.4681	0.060	11	109.4681	0.004	11	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(H)3	H(CHHP)	P(CRuHH)(CHSS)(CH3)2	C(PC3)(H)3	H(CHHP)	P(CRuHH)(CHSS)(CH3)2	109.5098	0.033	5	109.5098	0.001	5	109.2597	1.320	279	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:P-4:	C(PCCP)(H)3	H(CHHP)	P(CC3)(CH3)2(PC3)	C(PCCP)(H)3	H(CHHP)	P(CC3)(CH3)2(PC3)	109.4766	0.068	8	109.4766	0.005	8	109.5387	4.699	29	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:C-4:C-4:P-4:	C(PCCP)(H)3	H(CHHP)	P(CH3)3(PC3)	C(PCCP)(H)3	H(CHHP)	P(CH3)3(PC3)	109.5624	2.564	21	109.5624	6.575	21	109.5387	4.699	29	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C-4:P-4:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(CHHP)(PCCN)(CH3)2	C(PCCP)(H)3	H(CHHP)	P(CHHP)(PCCN)(CH3)2	109.5103	0.048	3	109.5103	0.002	3	109.5103	0.002	3	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5,6]-4:C-4:C-4:C-4:	C(PC[5,6]CC)(H)3	H(CHHP)	P(C[5,6]C[3,5,6]C[5,6]H)(CH3)3	C(PC[5,6]CC)(H)3	H(CHHP)	P(C[5,6]C[3,5,6]C[5,6]H)(CH3)3	109.0863	0.700	9	109.0863	0.490	9	109.0863	0.490	9	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(H)3	H(CHHP)	P(C[5]C[5,6a]2H)(CH3)3	C(PC[5]CC)(H)3	H(CHHP)	P(C[5]C[5,6a]2H)(CH3)3	109.4773	0.026	14	109.4773	0.001	14	109.4715	0.002	26	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(H)3	H(CHHP)	P(C[5]C[5]2Fe)(CH3)3	C(PC[5]CC)(H)3	H(CHHP)	P(C[5]C[5]2Fe)(CH3)3	109.4843	0.056	6	109.4843	0.003	6	109.4715	0.002	26	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(H)3	H(CHHP)	P(C[5]C[5]2H)(CH3)3	C(PC[5]CC)(H)3	H(CHHP)	P(C[5]C[5]2H)(CH3)3	109.4453	0.053	6	109.4453	0.003	6	109.4715	0.002	26	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[5]-4:C[5]-4:C-4:C-4:	C(PC[5]2C)(H)3	H(CHHP)	P(C[5]C[5,6a]2H)2(CH3)2	C(PC[5]2C)(H)3	H(CHHP)	P(C[5]C[5,6a]2H)2(CH3)2	107.3403	2.652	3	107.3403	7.033	3	107.3403	7.033	3	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6]-4:C-4:B-4:C-4:	C(PC[6]BC)(H)3	H(CHHP)	P(C[6]C[6]2H)(CCHH)(BH3)(CH3)	C(PC[6]BC)(H)3	H(CHHP)	P(C[6]C[6]2H)(CCHH)(BH3)(CH3)	109.4580	0.023	2	109.4580	0.001	2	109.4580	0.001	2	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6]-4:C-4:C-4:C-4:	C(PC[6]CC)(H)3	H(CHHP)	P(C[6]C[6]2H)(CH3)3	C(PC[6]CC)(H)3	H(CHHP)	P(C[6]C[6]2H)(CH3)3	109.0311	1.514	14	109.0311	2.292	14	109.0311	2.292	14	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6]-4:C[6]-4:B-4:C-4:	C(PC[6]2B)(H)3	H(CHHP)	P(C[6]C[6]2H)2(BBII)(CH3)	C(PC[6]2B)(H)3	H(CHHP)	P(C[6]C[6]2H)2(BBII)(CH3)	109.4467	0.051	3	109.4467	0.003	3	109.4876	0.003	8	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6]-4:C[6]-4:B-4:C-4:	C(PC[6]2B)(H)3	H(CHHP)	P(C[6]C[6]2H)2(BCl2B)(CH3)	C(PC[6]2B)(H)3	H(CHHP)	P(C[6]C[6]2H)2(BCl2B)(CH3)	109.5122	0.041	5	109.5122	0.002	5	109.4876	0.003	8	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	C[6]-4:C[6]-4:C[6]-4:C-4:	C(PC[6]3)(H)3	H(CHHP)	P(C[6]C[6]2H)3(CH3)	C(PC[6]3)(H)3	H(CHHP)	P(C[6]C[6]2H)3(CH3)	109.2150	0.411	3	109.2150	0.169	3	109.2150	0.169	3	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(H)3	H(CHHP)	P(GaH3)(CH3)3	C(PGaCC)(H)3	H(CHHP)	P(GaH3)(CH3)3	110.4224	1.538	5	110.4224	2.366	5	110.4224	2.366	5	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P-4:C-4:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(PCCN)(CH3)3	C(PCCP)(H)3	H(CHHP)	P(PCCN)(CH3)3	109.4649	0.031	14	109.4649	0.001	14	109.4662	0.001	21	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	P-4:C-4:C-4:C-4:	C(PCCP)(H)3	H(CHHP)	P(PNOO)(CH3)3	C(PCCP)(H)3	H(CHHP)	P(PNOO)(CH3)3	109.4690	0.043	7	109.4690	0.002	7	109.4662	0.001	21	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	4:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Si-4:C-4:C-4:C-4:	C(PSiCC)(H)3	H(CHHP)	P(SiC[6a]ClRu)(CH3)3	C(PSiCC)(H)3	H(CHHP)	P(SiC[6a]ClRu)(CH3)3	109.4706	0.063	8	109.4706	0.004	8	109.4706	0.004	8	109.3928	1.340	551	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	5:3:3:4:	P-4:Cl-1:H-1:H-1:	C-4:	B[3,3,5,5,6,6]-5:C[6a]-3:C[6a]-3:C-4:	C(PB[3,3,5,5,6,6]C[6a]2)(Cl)(H)2	H(CClHP)	P(B[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Fe)(C[6a]C[6a]2)2(CClHH)	C(PB[3,3,5,5,6,6]C[6a]2)(Cl)(H)2	H(CClHP)	P(B[3,3,5,5,6,6]B[3x3,5x5,6,6]2B[5x3,5x5]Fe)(C[6a]C[6a]2)2(CClHH)	108.9615	0.035	2	108.9615	0.001	2	108.9615	0.001	2	109.3409	0.056	8	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	5:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	B[3,3,5]-5:C[6a]-3:C[6a]-3:C-4:	C(PB[3,3,5]C[6a]2)(H)3	H(CHHP)	P(B[3,3,5]B[3x3,5]2B[5x3]H)(C[6a]C[6a]2)2(CH3)	C(PB[3,3,5]C[6a]2)(H)3	H(CHHP)	P(B[3,3,5]B[3x3,5]2B[5x3]H)(C[6a]C[6a]2)2(CH3)	109.4553	0.054	3	109.4553	0.003	3	109.4553	0.003	3	109.3409	0.056	8	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	5:3:3:4:	P-4:H-1:H-1:H-1:	C-4:	C[3x3,3x5,12x6]-5:C[6a]-3:C[6a]-3:C-4:	C(PC[3x3,3x5,12x6]C[6a]2)(H)3	H(CHHP)	P(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2)(C[6a]C[6a]2)2(CH3)	C(PC[3x3,3x5,12x6]C[6a]2)(H)3	H(CHHP)	P(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2)(C[6a]C[6a]2)2(CH3)	109.4793	0.031	3	109.4793	0.001	3	109.4793	0.001	3	109.3409	0.056	8	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	5:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	B-5:C-3:C-4:C-4:	C(PBCC)(H)3	H(CHHP)	P(BSmH3)(CSi2)(CH3)2	C(PBCC)(H)3	H(CHHP)	P(BSmH3)(CSi2)(CH3)2	109.4860	0.044	4	109.4860	0.002	4	109.4860	0.002	4	109.4860	0.002	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	6:3:3:4:	P-4:Cl-1:H-1:H-1:	C-4:	B[3x3,5x5,6,6]-6:C[6a]-3:C[6a]-3:C-4:	C(PB[3x3,5x5,6,6]C[6a]2)(Cl)(H)2	H(CClHP)	P(B[3x3,5x5,6,6]B[3,3,5,5,6,6]B[3x3,4,5x5,6]B[5x3,4,3x5,6]B[5x3,5x5]Fe)(C[6a]C[6a]2)2(CClHH)	C(PB[3x3,5x5,6,6]C[6a]2)(Cl)(H)2	H(CClHP)	P(B[3x3,5x5,6,6]B[3,3,5,5,6,6]B[3x3,4,5x5,6]B[5x3,4,3x5,6]B[5x3,5x5]Fe)(C[6a]C[6a]2)2(CClHH)	108.9825	0.025	2	108.9825	0.001	2	108.9825	0.001	2	108.9825	0.001	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	6:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	B[3x3,5,5,7x6]-6:C[6a]-3:C-4:C-4:	C(PB[3x3,5,5,7x6]C[6a]C)(H)3	H(CHHP)	P(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]Pd)(C[6a]C[6a]2)(CH3)2	C(PB[3x3,5,5,7x6]C[6a]C)(H)3	H(CHHP)	P(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3,3,5,4x6]Pd)(C[6a]C[6a]2)(CH3)2	109.4830	0.027	3	109.4830	0.001	3	109.4830	0.001	3	109.4841	0.001	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	6:3:4:4:	P-4:H-1:H-1:H-1:	C-4:	B[4x3,3x5,12x6]-6:C[6a]-3:C-4:C-4:	C(PB[4x3,3x5,12x6]C[6a]C)(H)3	H(CHHP)	P(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3])(C[6a]C[6a]2)(CH3)2	C(PB[4x3,3x5,12x6]C[6a]C)(H)3	H(CHHP)	P(B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3])(C[6a]C[6a]2)(CH3)2	109.4850	0.030	4	109.4850	0.001	4	109.4850	0.001	4	109.4841	0.001	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	6:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	B[3x3,3x5,12x6]-6:C-4:C-4:C-4:	C(PB[3x3,3x5,12x6]CC)(H)3	H(CHHP)	P(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Ni)(CH3)3	C(PB[3x3,3x5,12x6]CC)(H)3	H(CHHP)	P(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Ni)(CH3)3	109.4703	0.033	7	109.4703	0.001	7	109.4703	0.001	7	109.4771	0.001	28	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	6:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Si-6:C-4:C-4:C-4:	C(PSiCC)(H)3	H(CHHP)	P(SiBr4P)(CH3)3	C(PSiCC)(H)3	H(CHHP)	P(SiBr4P)(CH3)3	109.4900	0.046	11	109.4900	0.002	11	109.4794	0.001	21	109.4771	0.001	28	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	6:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Si-6:C-4:C-4:C-4:	C(PSiCC)(H)3	H(CHHP)	P(SiCl4P)(CH3)3	C(PSiCC)(H)3	H(CHHP)	P(SiCl4P)(CH3)3	109.4728	0.023	5	109.4728	0.001	5	109.4794	0.001	21	109.4771	0.001	28	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	6:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Si-6:C-4:C-4:C-4:	C(PSiCC)(H)3	H(CHHP)	P(SiCl4P)(CHHP)(CH3)2	C(PSiCC)(H)3	H(CHHP)	P(SiCl4P)(CHHP)(CH3)2	109.4628	0.017	5	109.4628	0.000	5	109.4794	0.001	21	109.4771	0.001	28	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	7:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Nb[5]-7:C-4:C-4:C-4:	C(PNb[5]CC)(H)3	H(CHHP)	P(Nb[5]P[5]2Cl3O)(CCHH)(CH3)2	C(PNb[5]CC)(H)3	H(CHHP)	P(Nb[5]P[5]2Cl3O)(CCHH)(CH3)2	109.4752	0.067	6	109.4752	0.004	6	109.4752	0.004	6	109.4752	0.004	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	8:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Nb[3,3]-8:C-4:C-4:C-4:	C(PNb[3,3]CC)(H)3	H(CHHP)	P(Nb[3,3]C[3,3]N[3]2Cl4)(CH3)3	C(PNb[3,3]CC)(H)3	H(CHHP)	P(Nb[3,3]C[3,3]N[3]2Cl4)(CH3)3	111.4579	1.445	9	111.4579	2.087	9	111.4579	2.087	9	110.3241	1.851	21	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:1:1:1:	4:	8:4:4:4:	P-4:H-1:H-1:H-1:	C-4:	Nb[5x3]-8:C-4:C-4:C-4:	C(PNb[5x3]CC)(H)3	H(CHHP)	P(Nb[5x3]C[3,3,5]5SiN)(CH3)3	C(PNb[5x3]CC)(H)3	H(CHHP)	P(Nb[5x3]C[3,3,5]5SiN)(CH3)3	109.4737	0.079	12	109.4737	0.006	12	109.4737	0.006	12	110.3241	1.851	21	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	2:4:3:1:	P-4:O-2:H-1:H-1:	C-4:	O-2:C-4:N-3:O-1:	C(PNOO)(OC)(H)2	H(CHOP)	P(OC[6a])(CHHO)(NCH)(O)	C(PNOO)(OC)(H)2	H(CHOP)	P(OC[6a])(CHHO)(NCH)(O)	110.8400	0.059	2	110.8400	0.004	2	110.8400	0.004	2	110.8400	0.004	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	2:4:4:1:	P-4:O-2:H-1:H-1:	C-4:	O-2:C-4:C-4:O-1:	C(PCOO)(OH)(H)2	H(CHOP)	P(OC[3x6])(CHHO)(CC3)(O)	C(PCOO)(OH)(H)2	H(CHOP)	P(OC[3x6])(CHHO)(CC3)(O)	108.0700	0.011	2	108.0700	0.000	2	108.0700	0.000	2	108.0700	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	2:4:4:4:	P-4:O-2:H-1:H-1:	C-4:	O-2:C-4:B-4:C-4:	C(PBCO)(OH)(H)2	H(CHOP)	P(OC[3x6])(CHHO)(BH3)(CC3)	C(PBCO)(OH)(H)2	H(CHOP)	P(OC[3x6])(CHHO)(BH3)(CC3)	108.1745	0.103	4	108.1745	0.011	4	108.1745	0.011	4	108.1745	0.011	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	3:2:4:1:	P-4:O-2:H-1:H-1:	C-4:	C[6a]-3:O-2:C-4:O-1:	C(PC[6a]OO)(OH)(H)2	H(CHOP)	P(C[6a]C[6a]2)(OC[3x6])(CHHO)(O)	C(PC[6a]OO)(OH)(H)2	H(CHOP)	P(C[6a]C[6a]2)(OC[3x6])(CHHO)(O)	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	3:3:3:4:	P-4:C-2:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CN)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CN)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	108.6665	0.005	2	108.6665	0.000	2	108.6665	0.000	2	109.4445	0.459	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	3:3:3:4:	P-4:O-2:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(OB[6,6])(H)2	H(CHOP)	P(C[6a]C[6a]2)3(CHHO)	C(PC[6a]3)(OB[6,6])(H)2	H(CHOP)	P(C[6a]C[6a]2)3(CHHO)	110.1780	0.044	2	110.1780	0.002	2	109.8335	0.159	4	109.4445	0.459	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	3:3:3:4:	P-4:O-2:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(OSb)(H)2	H(CHOP)	P(C[6a]C[6a]2)3(CHHO)	C(PC[6a]3)(OSb)(H)2	H(CHOP)	P(C[6a]C[6a]2)3(CHHO)	109.4890	0.013	2	109.4890	0.000	2	109.8335	0.159	4	109.4445	0.459	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	3:3:4:1:	P-4:O-2:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(OH)(H)2	H(CHOP)	P(C[6a]C[6a]2)2(CHHO)(O)	C(PC[6a]2O)(OH)(H)2	H(CHOP)	P(C[6a]C[6a]2)2(CHHO)(O)	109.4075	0.006	2	109.4075	0.000	2	109.4075	0.000	2	109.7885	0.194	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	3:3:4:1:	P-4:S-2:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SC[6a])(H)2	H(CHPS)	P(C[6a]C[6a]2)2(CHHS)(S)	C(PC[6a]2S)(SC[6a])(H)2	H(CHPS)	P(C[6a]C[6a]2)2(CHHS)(S)	110.1695	0.016	2	110.1695	0.000	2	110.1695	0.000	2	109.7885	0.194	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	3:4:2:1:	P-4:O-2:H-1:H-1:	C-4:	N-3:C-4:O-2:O-1:	C(PNOO)(OH)(H)2	H(CHOP)	P(NC[6]C)(CHHO)(OC)(O)	C(PNOO)(OH)(H)2	H(CHOP)	P(NC[6]C)(CHHO)(OC)(O)	109.6245	0.050	4	109.6245	0.002	4	109.6245	0.002	4	109.6245	0.002	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	3:4:4:1:	P-4:O-2:H-1:H-1:	C-4:	C[6a]-3:C[6]-4:C-4:O-1:	C(PC[6a]C[6]O)(OC[6a])(H)2	H(CHOP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CHHO)(O)	C(PC[6a]C[6]O)(OC[6a])(H)2	H(CHOP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CHHO)(O)	108.3402	0.045	5	108.3402	0.002	5	108.3402	0.002	5	108.3402	0.002	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:2:2:1:	P-4:O-2:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(OC)(H)2	H(CHOP)	P(CHHO)(OC)2(O)	C(PO3)(OC)(H)2	H(CHOP)	P(CHHO)(OC)2(O)	110.1278	0.794	5	110.1278	0.631	5	110.1278	0.631	5	110.1278	0.631	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:3:2:1:	P-4:O-2:H-1:H-1:	C-4:	C-4:N-3:O-2:O-1:	C(PNOO)(OH)(H)2	H(CHOP)	P(CHHO)(NCC)(OC)(O)	C(PNOO)(OH)(H)2	H(CHOP)	P(CHHO)(NCC)(OC)(O)	109.8005	0.006	2	109.8005	0.000	2	109.8005	0.000	2	109.8005	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:2:1:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(PCOO)(OC)(H)2	H(CHOP)	P(CCHN)(CHHO)(OC)(O)	C(PCOO)(OC)(H)2	H(CHOP)	P(CCHN)(CHHO)(OC)(O)	109.7630	0.016	2	109.7630	0.000	2	109.8717	0.018	4	109.8717	0.018	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:2:1:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(PCOO)(OH)(H)2	H(CHOP)	P(CC[6a]CN)(CHHO)(OC)(O)	C(PCOO)(OH)(H)2	H(CHOP)	P(CC[6a]CN)(CHHO)(OC)(O)	109.9805	0.078	2	109.9805	0.006	2	109.8717	0.018	4	109.8717	0.018	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:1:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(OH)(H)2	H(CHOP)	P(CCHH)(CHHO)2(O)	C(PCCO)(OH)(H)2	H(CHOP)	P(CCHH)(CHHO)2(O)	108.8895	1.069	4	108.8895	1.143	4	106.1548	36.440	10	106.1548	36.440	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:1:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(ON)(H)2	H(CHOP)	P(CHHO)3(O)	C(PCCO)(ON)(H)2	H(CHOP)	P(CHHO)3(O)	104.3316	7.412	6	104.3316	54.934	6	106.1548	36.440	10	106.1548	36.440	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:4:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(PBCC)(OH)(H)2	H(CHOP)	P(CCHH)(CHHO)2(BH3)	C(PBCC)(OH)(H)2	H(CHOP)	P(CCHH)(CHHO)2(BH3)	107.3303	2.112	4	107.3303	4.462	4	107.3303	4.462	4	109.1897	1.439	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:4:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(OAl)(H)2	H(CHOP)	P(CHHO)(CC3)3	C(PC3)(OAl)(H)2	H(CHOP)	P(CHHO)(CC3)3	109.3575	0.006	2	109.3575	0.000	2	109.4872	0.452	25	109.1897	1.439	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:4:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(OC)(H)2	H(CHOP)	P(CCHH)3(CHHO)	C(PC3)(OC)(H)2	H(CHOP)	P(CCHH)3(CHHO)	110.1820	0.000	1	110.1820	0.000	1	109.4872	0.452	25	109.1897	1.439	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:4:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(OC)(H)2	H(CHOP)	P(CHHO)(CH3)3	C(PC3)(OC)(H)2	H(CHOP)	P(CHHO)(CH3)3	110.4045	0.023	2	110.4045	0.001	2	109.4872	0.452	25	109.1897	1.439	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:4:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(OH)(H)2	H(CHOP)	P(CCHH)(CHHO)3	C(PC3)(OH)(H)2	H(CHOP)	P(CCHH)(CHHO)3	109.6745	0.244	6	109.6745	0.060	6	109.4872	0.452	25	109.1897	1.439	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:4:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(OH)(H)2	H(CHOP)	P(CC[5,6]HH)(CHHO)3	C(PC3)(OH)(H)2	H(CHOP)	P(CC[5,6]HH)(CHHO)3	109.6715	0.487	6	109.6715	0.237	6	109.4872	0.452	25	109.1897	1.439	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:4:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(OH)(H)2	H(CHOP)	P(CHHO)(CC3)3	C(PC3)(OH)(H)2	H(CHOP)	P(CHHO)(CC3)3	109.2480	0.013	2	109.2480	0.000	2	109.4872	0.452	25	109.1897	1.439	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:4:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(OH)(H)2	H(CHOP)	P(CHHO)(CH3)3	C(PC3)(OH)(H)2	H(CHOP)	P(CHHO)(CH3)3	108.6052	1.066	4	108.6052	1.137	4	109.4872	0.452	25	109.1897	1.439	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:1:1:	4:	4:4:4:4:	P-4:O-2:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(OSb)(H)2	H(CHOP)	P(CHHO)(CC3)3	C(PC3)(OSb)(H)2	H(CHOP)	P(CHHO)(CC3)3	109.2405	0.037	2	109.2405	0.001	2	109.4872	0.452	25	109.1897	1.439	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:2:1:	4:	3:4:4:1:	P-4:C-2:O-2:H-1:	C-4:	C[6a]-3:C[6]-4:C-4:O-1:	C(PC[6a]C[6]O)(CC)(OH)(H)	H(CCOP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHO)(O)	C(PC[6a]C[6]O)(CC)(OH)(H)	H(CCOP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHO)(O)	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:2:1:	4:	4:2:2:1:	P-4:C-2:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(CC)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	C(PO3)(CC)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:2:1:	4:	4:4:4:4:	P-4:S-2:S-2:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(SRu)(SC)(H)	H(CPSS)	P(CRuHH)(CHSS)(CH3)2	C(PC3)(SRu)(SC)(H)	H(CPSS)	P(CRuHH)(CHSS)(CH3)2	104.9920	0.000	1	104.9920	0.000	1	104.9920	0.000	1	104.9920	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:2:4:1:	4:	3:4:4:1:	P-4:S-2:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(SC[6a])(CCHH)(H)	H(CCPS)	P(C[6a]C[6a]2)(CCHS)(CH3)(O)	C(PC[6a]CO)(SC[6a])(CCHH)(H)	H(CCPS)	P(C[6a]C[6a]2)(CCHS)(CH3)(O)	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	2:4:4:4:	P-4:N-3:H-1:H-1:	C-4:	N-2:C-4:C-4:C-4:	C(PCCN)(NCC)(H)2	H(CHNP)	P(NC[6a])(CHHN)(CC3)2	C(PCCN)(NCC)(H)2	H(CHNP)	P(NC[6a])(CHHN)(CC3)2	108.6907	0.324	3	108.6907	0.105	3	108.6907	0.105	3	108.6907	0.105	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:2:4:	P-4:N-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-2:C-4:	C(PC[6a]2N)(NC[6a]P)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(NC[6a])(CHHN)	C(PC[6a]2N)(NC[6a]P)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(NC[6a])(CHHN)	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:3:4:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCH)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCH)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	108.7530	0.047	2	108.7530	0.002	2	108.3195	1.727	34	108.3847	1.571	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:3:4:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCO)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCO)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	108.8028	0.699	12	108.8028	0.489	12	108.3195	1.727	34	108.3847	1.571	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:3:4:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CC[5]O)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CC[5]O)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	105.2885	1.522	2	105.2885	2.318	2	108.3195	1.727	34	108.3847	1.571	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:3:4:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CC[6a]O)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CC[6a]O)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	108.1790	1.381	15	108.1790	1.907	15	108.3195	1.727	34	108.3847	1.571	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:3:4:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(COO)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(COO)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	108.8200	0.021	3	108.8200	0.000	3	108.3195	1.727	34	108.3847	1.571	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:3:4:	P-4:P-3:H-1:H-1:	C-4:	C[5]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(PC[6a]2)(H)2	H(CHPP)	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	H(CHPP)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2(CHHP)	108.1970	0.017	2	108.1970	0.000	2	108.1970	0.000	2	108.3847	1.571	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:3:4:	P-4:P-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(PC[6a]2)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[6a]H)(CHHP)	C(PC[6a]2N)(PC[6a]2)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[6a]H)(CHHP)	108.2645	0.026	2	108.2645	0.001	2	108.2645	0.001	2	108.3847	1.571	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:3:4:	P-4:P-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:P-3:C-4:	C(PC[6a]2P)(PC[6a]2)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(PC[6a]2)(CHHP)	C(PC[6a]2P)(PC[6a]2)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(PC[6a]2)(CHHP)	109.8015	0.021	2	109.8015	0.000	2	109.8015	0.000	2	108.3847	1.571	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCC)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCC)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	109.1825	0.006	2	109.1825	0.000	2	108.7126	0.406	32	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCO)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCO)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	108.3608	0.152	10	108.3608	0.023	10	108.7126	0.406	32	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[6a]O)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CC[6a]O)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	108.7252	0.134	6	108.7252	0.018	6	108.7126	0.406	32	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CNO)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CNO)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	108.9114	0.676	12	108.9114	0.458	12	108.7126	0.406	32	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CSeC)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CSeC)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	108.7705	2.256	2	108.7705	5.091	2	108.7126	0.406	32	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:C-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CC[6a]C)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(S)	C(PC[6a]2S)(CC[6a]C)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(S)	108.9885	0.033	2	108.9885	0.001	2	108.9885	0.001	2	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:N-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(NCC)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(O)	C(PC[6a]2O)(NCC)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(O)	105.0260	5.054	7	105.0260	25.547	7	107.6445	12.777	22	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:N-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(NC[6]P)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(O)	C(PC[6a]2O)(NC[6]P)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(O)	109.1890	0.013	2	109.1890	0.000	2	107.6445	12.777	22	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:N-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(NC[6a]C)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(O)	C(PC[6a]2O)(NC[6a]C)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(O)	108.8180	0.006	2	108.8180	0.000	2	107.6445	12.777	22	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:N-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(NC[6a]H)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(O)	C(PC[6a]2O)(NC[6a]H)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(O)	108.6141	2.694	7	108.6141	7.260	7	107.6445	12.777	22	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:N-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(NHN)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(O)	C(PC[6a]2O)(NHN)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(O)	109.1710	0.126	4	109.1710	0.016	4	107.6445	12.777	22	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:1:	P-4:N-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(NCC)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(S)	C(PC[6a]2S)(NCC)(H)2	H(CHNP)	P(C[6a]C[6a]2)2(CHHN)(S)	108.2320	0.341	4	108.2320	0.116	4	108.2320	0.116	4	108.2981	5.036	60	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:3:	P-4:P-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:P-3:	C(PC[6a]2P)(PC[6a]2)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(PCC)	C(PC[6a]2P)(PC[6a]2)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(PCC)	109.2843	0.310	4	109.2843	0.096	4	109.2843	0.096	4	109.2843	0.096	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:4:	P-4:P-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(PCC)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(BH3)	C(PC[6a]2B)(PCC)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(BH3)	108.5360	0.000	1	108.5360	0.000	1	107.5276	12.184	5	107.5276	12.184	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:3:4:4:	P-4:P-3:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(PC[6a]2)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(BH3)	C(PC[6a]2B)(PC[6a]2)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(BH3)	107.2755	3.978	4	107.2755	15.822	4	107.5276	12.184	5	107.5276	12.184	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:4:1:1:	P-4:N-3:H-1:H-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(PC[6a]OO)(NCC)(H)2	H(CHNP)	P(C[6a]C[6a]2)(CHHN)(O)2	C(PC[6a]OO)(NCC)(H)2	H(CHNP)	P(C[6a]C[6a]2)(CHHN)(O)2	109.1315	0.353	8	109.1315	0.125	8	109.1315	0.125	8	109.1315	0.125	8	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:4:4:1:	P-4:C[6a]-3:H-1:H-1:	C-4:	C[6a]-3:C[6]-4:C-4:O-1:	C(PC[6a]C[6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]HH)(O)	C(PC[6a]C[6]O)(C[6a]C[6a]2)(H)2	H(CC[6a]HP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]HH)(O)	108.7955	0.040	2	108.7955	0.002	2	108.7955	0.002	2	108.0149	0.280	9	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	3:4:4:1:	P-4:S-3:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(SFe2)(H)2	H(CHPS)	P(C[6a]C[6a]2)(CHHS)2(O)	C(PC[6a]CO)(SFe2)(H)2	H(CHPS)	P(C[6a]C[6a]2)(CHHS)2(O)	107.7919	0.334	7	107.7919	0.112	7	107.7919	0.112	7	108.0149	0.280	9	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:1:1:1:	P-4:C-3:H-1:H-1:	C-4:	C-4:O-1:O-1:O-1:	C(PO3)(COO)(H)2	H(CCHP)	P(CCHH)(O)3	C(PO3)(COO)(H)2	H(CCHP)	P(CCHH)(O)3	106.7195	3.218	2	106.7195	10.356	2	106.7195	10.356	2	107.5565	4.386	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:1:1:1:	P-4:N-3:H-1:H-1:	C-4:	C-4:O-1:O-1:O-1:	C(PO3)(NCC)(H)2	H(CHNP)	P(CHHN)(O)3	C(PO3)(NCC)(H)2	H(CHNP)	P(CHHN)(O)3	108.3935	0.016	2	108.3935	0.000	2	108.3935	0.000	2	107.5565	4.386	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:2:1:1:	P-4:C-3:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(PO3)(CCC)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	C(PO3)(CCC)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	106.2000	1.257	2	106.2000	1.581	2	108.1737	1.732	22	108.3251	1.311	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:2:1:1:	P-4:C-3:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(PO3)(CNO)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	C(PO3)(CNO)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	109.5475	0.025	2	109.5475	0.001	2	108.1737	1.732	22	108.3251	1.311	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:2:1:1:	P-4:C-3:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(PO3)(COO)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	C(PO3)(COO)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	108.2403	1.167	18	108.2403	1.361	18	108.1737	1.732	22	108.3251	1.311	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:2:1:1:	P-4:N-3:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(PO3)(NCC)(H)2	H(CHNP)	P(CHHN)(OH)(O)2	C(PO3)(NCC)(H)2	H(CHNP)	P(CHHN)(OH)(O)2	108.6583	0.544	10	108.6583	0.296	10	108.6583	0.296	10	108.3251	1.311	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:2:2:1:	P-4:C-3:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(CCC)(H)2	H(CCHP)	P(CCHH)(OH)2(O)	C(PO3)(CCC)(H)2	H(CCHP)	P(CCHH)(OH)2(O)	105.4328	1.955	6	105.4328	3.824	6	107.1430	4.136	16	107.4623	3.891	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:2:2:1:	P-4:C-3:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(CNO)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	C(PO3)(CNO)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	108.8050	0.049	4	108.8050	0.002	4	107.1430	4.136	16	107.4623	3.891	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:2:2:1:	P-4:C-3:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(COO)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	C(PO3)(COO)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	109.0295	0.026	2	109.0295	0.001	2	107.1430	4.136	16	107.4623	3.891	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:2:2:1:	P-4:C-3:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(COO)(H)2	H(CCHP)	P(CCHH)(OH)2(O)	C(PO3)(COO)(H)2	H(CCHP)	P(CCHH)(OH)2(O)	107.1030	1.549	4	107.1030	2.398	4	107.1430	4.136	16	107.4623	3.891	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:2:2:1:	P-4:N-3:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(NCC)(H)2	H(CHNP)	P(CHHN)(OH)2(O)	C(PO3)(NCC)(H)2	H(CHNP)	P(CHHN)(OH)2(O)	108.7395	1.114	4	108.7395	1.242	4	108.7395	1.242	4	107.4623	3.891	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:2:2:2:	P-4:C-3:H-1:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(PO3)(COO)(H)2	H(CCHP)	P(CCHH)(OCu)2(OH)	C(PO3)(COO)(H)2	H(CCHP)	P(CCHH)(OCu)2(OH)	108.5935	0.009	2	108.5935	0.000	2	108.5935	0.000	2	108.5935	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:3:3:4:	P-4:C-3:H-1:H-1:	C-4:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(CC[5]O)(H)2	H(CCHP)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2C[5])(CC[5]O)(H)2	H(CCHP)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2(CCHH)	109.1325	0.033	2	109.1325	0.001	2	109.1325	0.001	2	109.3152	0.045	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:3:3:4:	P-4:P-3:H-1:H-1:	C-4:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(PC[6a]2)(H)2	H(CHPP)	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	H(CHPP)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(CHHP)	109.4980	0.041	2	109.4980	0.002	2	109.4980	0.002	2	109.3152	0.045	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:4:4:1:	P-4:N-3:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(NCH)(H)2	H(CHNP)	P(CHHN)3(O)	C(PCCO)(NCH)(H)2	H(CHNP)	P(CHHN)3(O)	109.1150	0.332	11	109.1150	0.110	11	109.0343	0.131	13	109.0626	0.118	15	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:4:4:1:	P-4:N-3:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(NHH)(H)2	H(CHNP)	P(CHHN)(CH3)2(O)	C(PCCO)(NHH)(H)2	H(CHNP)	P(CHHN)(CH3)2(O)	108.5905	0.005	2	108.5905	0.000	2	109.0343	0.131	13	109.0626	0.118	15	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:4:4:1:	P-4:N-3:H-1:H-1:	C-4:	C[5]-4:C[5]-4:C-4:O-1:	C(PC[5]2O)(NCC)(H)2	H(CHNP)	P(C[5]C[5]2H)2(CHHN)(O)	C(PC[5]2O)(NCC)(H)2	H(CHNP)	P(C[5]C[5]2H)2(CHHN)(O)	109.2465	0.045	2	109.2465	0.002	2	109.2465	0.002	2	109.0626	0.118	15	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:4:4:3:	P-4:C-3:H-1:H-1:	C-4:	C-4:C-4:C-4:C-3:	C(PC3)(CCC)(H)2	H(CCHP)	P(CCHH)(CC3)2(CCC)	C(PC3)(CCC)(H)2	H(CCHP)	P(CCHH)(CC3)2(CCC)	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:4:4:4:	P-4:C-3:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(CCC)(H)2	H(CCHP)	P(CCHH)(CC3)3	C(PC3)(CCC)(H)2	H(CCHP)	P(CCHH)(CC3)3	106.2285	0.127	4	106.2285	0.016	4	107.8039	1.903	10	107.9299	1.442	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:4:4:4:	P-4:C-3:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(CCH)(H)2	H(CCHP)	P(CCCH)3(CCHH)	C(PC3)(CCH)(H)2	H(CCHP)	P(CCCH)3(CCHH)	108.5305	0.008	2	108.5305	0.000	2	107.8039	1.903	10	107.9299	1.442	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:4:4:4:	P-4:C-3:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(CCH)(H)2	H(CCHP)	P(CCHH)(CH3)3	C(PC3)(CCH)(H)2	H(CCHP)	P(CCHH)(CH3)3	109.2435	0.078	2	109.2435	0.006	2	107.8039	1.903	10	107.9299	1.442	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:4:4:4:	P-4:C-3:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)(CCH)(H)2	H(CCHP)	P(CCHH)4	C(PC3)(CCH)(H)2	H(CCHP)	P(CCHH)4	108.7885	0.023	2	108.7885	0.001	2	107.8039	1.903	10	107.9299	1.442	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:4:4:4:	P-4:N-3:H-1:H-1:	C-4:	C[6]-4:C[6]-4:C-4:B-4:	C(PC[6]2B)(NC[6a]C)(H)2	H(CHNP)	P(C[6]C[6]2H)2(CHHN)(BH3)	C(PC[6]2B)(NC[6a]C)(H)2	H(CHNP)	P(C[6]C[6]2H)2(CHHN)(BH3)	108.7600	0.016	2	108.7600	0.000	2	108.7600	0.000	2	107.9299	1.442	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	4:4:4:4:	P-4:P-3:H-1:H-1:	C-4:	C-4:P-4:C-4:C-4:	C(PCCP)(PCC)(H)2	H(CHPP)	P(CHHP)(PCCN)(CH3)2	C(PCCP)(PCC)(H)2	H(CHPP)	P(CHHP)(PCCN)(CH3)2	107.7295	0.026	2	107.7295	0.001	2	107.7295	0.001	2	107.9299	1.442	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:1:1:	4:	6:4:4:4:	P-4:P-3:H-1:H-1:	C-4:	Si-6:C-4:C-4:C-4:	C(PSiCC)(PCC)(H)2	H(CHPP)	P(SiCl4P)(CHHP)(CH3)2	C(PSiCC)(PCC)(H)2	H(CHPP)	P(SiCl4P)(CHHP)(CH3)2	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:2:1:	4:	3:3:4:1:	P-4:C-3:N-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCC)(NC)(H)	H(CCNP)	P(C[6a]C[6a]2)2(CCHN)(O)	C(PC[6a]2O)(CCC)(NC)(H)	H(CCNP)	P(C[6a]C[6a]2)2(CCHN)(O)	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:2:1:	4:	4:2:2:1:	P-4:C-3:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(CCH)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	C(PO3)(CCH)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	109.0917	0.630	3	109.0917	0.397	3	109.0917	0.397	3	109.0917	0.397	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:3:1:	4:	4:2:2:1:	P-4:C-3:C-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(CNO)(COO)(H)	H(CCCP)	P(CCCH)(OC)2(O)	C(PO3)(CNO)(COO)(H)	H(CCCP)	P(CCCH)(OC)2(O)	108.2653	0.435	3	108.2653	0.189	3	108.2653	0.189	3	107.9588	0.502	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:3:1:	4:	4:2:2:1:	P-4:C-3:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)(CCO)(NCH)(H)	H(CCNP)	P(CCHN)(OC)2(O)	C(PO3)(CCO)(NCH)(H)	H(CCNP)	P(CCHN)(OC)2(O)	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	107.9588	0.502	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:4:1:	4:	3:3:4:1:	P-4:C-3:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	107.3100	0.000	1	107.3100	0.000	1	107.3100	0.000	1	107.3100	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:4:1:	4:	3:4:4:1:	P-4:C[6a]-3:C-4:H-1:	C-4:	C[6a]-3:C[6]-4:C-4:O-1:	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]CH)(O)	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	H(CC[6a]CP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]CH)(O)	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:3:4:1:	4:	4:2:2:1:	C-4:N-3:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	H(CCNP)	P(CCHN)(OC)2(O)	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	H(CCNP)	P(CCHN)(OC)2(O)	108.3510	0.164	3	108.3510	0.027	3	108.3510	0.027	3	108.3510	0.027	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	2:2:4:1:	C-4:P-4:H-1:H-1:	C-4:	O-2:O-2:C-4:Se-1:	C(CC[6a]CH)(PSeOO)(H)2	H(CCHP)	P(OC[6a])2(CCHH)(Se)	C(CC[6a]CH)(PSeOO)(H)2	H(CCHP)	P(OC[6a])2(CCHH)(Se)	108.6575	0.019	2	108.6575	0.000	2	108.6575	0.000	2	108.6575	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	2:3:3:4:	P-4:P-4:H-1:H-1:	C-4:	N-2:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2Pd)(PC[6a]2N)(H)2	H(CHPP)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Pd)(PC[6a]2N)(H)2	H(CHPP)	P(NC[3x3,4,3x5,14x6])(C[6a]C[6a]2)2(CHHP)	107.2485	0.008	2	107.2485	0.000	2	107.2485	0.000	2	107.2485	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	2:4:1:1:	P-4:P-4:H-1:H-1:	C-4:	O-2:C-4:O-1:O-1:	C(PC[6a]3)(PO3)(H)2	H(CHPP)	P(OC[6a])(CHHP)(O)2	C(PC[6a]3)(PO3)(H)2	H(CHPP)	P(OC[6a])(CHHP)(O)2	107.3255	0.009	2	107.3255	0.000	2	107.3255	0.000	2	107.3255	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	2:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	O-2:C-4:C-4:C-4:	C(PCCO)(CH3)(H)2	H(CCHP)	P(OB[5])(CCHH)3	C(PCCO)(CH3)(H)2	H(CCHP)	P(OB[5])(CCHH)3	108.9571	0.263	17	108.9571	0.069	17	108.7765	0.108	44	108.7765	0.108	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	2:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	O-2:C-4:C-4:C-4:	C(PCCO)(CH3)(H)2	H(CCHP)	P(OSi[5,5])(CCHH)3	C(PCCO)(CH3)(H)2	H(CCHP)	P(OSi[5,5])(CCHH)3	108.6629	0.318	27	108.6629	0.101	27	108.7765	0.108	44	108.7765	0.108	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:2:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:O-2:C-4:O-1:	C(PC[6a]OO)(CHHS)(H)2	H(CCHP)	P(C[6a]C[6a]2)(OC[6])(CCHH)(O)	C(PC[6a]OO)(CHHS)(H)2	H(CCHP)	P(C[6a]C[6a]2)(OC[6])(CCHH)(O)	109.0245	0.029	2	109.0245	0.001	2	109.0245	0.001	2	109.0245	0.001	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:2:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:Se-2:C-4:	C(PC[6a]2Se)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(SeC[6a])(CCHH)	C(PC[6a]2Se)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(SeC[6a])(CCHH)	108.9070	0.004	2	108.9070	0.000	2	108.9070	0.000	2	107.4230	3.462	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:2:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-2:C-4:	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[3x6])(CHHP)	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[3x6])(CHHP)	106.9766	0.011	5	106.9766	0.000	5	107.1262	3.644	10	107.4230	3.462	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:2:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-2:C-4:	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[6a])(CHHP)	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[6a])(CHHP)	107.4415	3.267	4	107.4415	10.674	4	107.1262	3.644	10	107.4230	3.462	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:2:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-2:C-4:	C(PC[6a]2Se)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[6a])(CHHP)	C(PC[6a]2Se)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[6a])(CHHP)	106.6130	0.000	1	106.6130	0.000	1	107.1262	3.644	10	107.4230	3.462	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	C[5]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[5]-3:C-4:	C(C[5]C[5]2Fe)(PC[6a]2C[5])(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(C[5]C[5]2)(CC[5]HH)	C(C[5]C[5]2Fe)(PC[6a]2C[5])(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(C[5]C[5]2)(CC[5]HH)	109.1190	0.008	2	109.1190	0.000	2	109.1190	0.000	2	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	C[5]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[5]C[5]2Fe)(PC[6a]3)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)3(CC[5]HH)	C(C[5]C[5]2Fe)(PC[6a]3)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)3(CC[5]HH)	108.2053	0.196	4	108.2053	0.038	4	108.1848	0.024	6	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	C[5]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[5]O[5]2H)(PC[6a]3)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)3(CC[5]HH)	C(C[5]O[5]2H)(PC[6a]3)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)3(CC[5]HH)	108.1440	0.041	2	108.1440	0.002	2	108.1848	0.024	6	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:B-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(BF3)(H)2	H(CBHP)	P(C[6a]C[6a]2)3(CBHH)	C(PC[6a]3)(BF3)(H)2	H(CBHP)	P(C[6a]C[6a]2)3(CBHH)	104.2070	1.355	2	104.2070	1.836	2	104.2070	1.836	2	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[5,6]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[5,6]C[6a]2)(CBHH)(H)2	H(CCHP)	P(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)2(CCHH)	C(PC[5,6]C[6a]2)(CBHH)(H)2	H(CCHP)	P(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)2(CCHH)	108.9375	0.005	2	108.9375	0.000	2	108.9375	0.000	2	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C(PC[5a]3)(CH3)(H)2	H(CCHP)	P(C[5a]C[5a]O[5a])3(CCHH)	C(PC[5a]3)(CH3)(H)2	H(CCHP)	P(C[5a]C[5a]O[5a])3(CCHH)	108.7080	0.006	2	108.7080	0.000	2	108.7080	0.000	2	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C(PC[5a]2C[6a])(CH3)(H)2	H(CCHP)	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(CCHH)	C(PC[5a]2C[6a])(CH3)(H)2	H(CCHP)	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(CCHH)	108.8635	0.127	4	108.8635	0.016	4	108.8635	0.016	4	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C(PC[6a]C[6]2)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CCHH)	C(PC[6a]C[6]2)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CCHH)	108.5505	0.057	2	108.5505	0.003	2	108.5505	0.003	2	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-3:C-4:	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CC[6a]C)(CCHH)	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CC[6a]C)(CCHH)	109.2275	0.018	2	109.2275	0.000	2	109.0203	0.058	4	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-3:C-4:	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CC[6a]N)(CCHH)	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CC[6a]N)(CCHH)	108.8130	0.024	2	108.8130	0.001	2	109.0203	0.058	4	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CAlHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CAlHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	107.1824	0.816	8	107.1824	0.667	8	108.2463	1.759	131	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CC3)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CC3)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	104.6407	0.657	4	104.6407	0.432	4	108.2463	1.759	131	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCCH)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCCH)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	108.0743	0.050	4	108.0743	0.002	4	108.2463	1.759	131	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(CCHH)	C(PC[6a]3)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(CCHH)	108.4240	0.013	2	108.4240	0.000	2	108.2463	1.759	131	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	108.5737	0.736	55	108.5737	0.542	55	108.2463	1.759	131	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CFeCH)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CFeCH)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	109.3630	0.065	2	109.3630	0.004	2	108.2463	1.759	131	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	108.2352	1.536	52	108.2352	2.358	52	108.2463	1.759	131	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)3(CCHH)	109.1463	0.342	4	109.1463	0.117	4	108.2463	1.759	131	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:P-3:C-4:	C(PC[6a]2P)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(PC[6a]2)(CCHH)	C(PC[6a]2P)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(PC[6a]2)(CCHH)	108.5470	0.000	2	108.5470	0.000	2	108.9228	0.188	4	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:P-3:C-4:	C(PC[6a]2P)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(PC[6a]2)(CCHH)	C(PC[6a]2P)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(PC[6a]2)(CCHH)	109.2985	0.009	2	109.2985	0.000	2	108.9228	0.188	4	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:N-3:P-3:C-4:	C(PC[6a]NP)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(NC[6a]Zn)(PC[6a]N)(CCHH)	C(PC[6a]NP)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(NC[6a]Zn)(PC[6a]N)(CCHH)	108.6275	0.015	2	108.6275	0.000	2	108.6275	0.000	2	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(PO3)(H)2	H(CHPP)	P(C[6a]C[6a]2)3(CHHP)	C(PC[6a]3)(PO3)(H)2	H(CHPP)	P(C[6a]C[6a]2)3(CHHP)	107.3050	0.016	2	107.3050	0.000	2	107.3050	0.000	2	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[6a]Ni)(CHHP)	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[6a]Ni)(CHHP)	109.8203	0.051	4	109.8203	0.003	4	109.0315	1.297	14	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NSiZn)(CHHP)	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NSiZn)(CHHP)	107.3058	0.075	4	107.3058	0.006	4	109.0315	1.297	14	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:3:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2Ru)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[6a]Ru)(CHHP)	C(PC[6a]2Ru)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(NC[6a]Ru)(CHHP)	109.6562	0.136	6	109.6562	0.019	6	109.0315	1.297	14	108.3274	1.701	177	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	C-4:P-4:Cl-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	H(CClCP)	P(C[6a]C[6a]2)2(CClCH)(O)	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	H(CClCP)	P(C[6a]C[6a]2)2(CClCH)(O)	109.8950	0.000	1	109.8950	0.000	1	109.8950	0.000	1	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-3:C-3:C-4:O-1:	C(CCHH)(PCCO)(H)2	H(CCHP)	P(CC[6a]O)2(CCHH)(O)	C(CCHH)(PCCO)(H)2	H(CCHP)	P(CC[6a]O)2(CCHH)(O)	108.0885	1.326	2	108.0885	1.758	2	108.0885	1.758	2	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	C[3]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C(C[3]B[3,3]2H)(PC[6a]2H)(H)2	H(CC[3]HP)	P(C[6a]C[6a]2)2(CC[3]HH)(H)	C(C[3]B[3,3]2H)(PC[6a]2H)(H)2	H(CC[3]HP)	P(C[6a]C[6a]2)2(CC[3]HH)(H)	110.4855	0.019	2	110.4855	0.000	2	110.4855	0.000	2	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	C[5]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(O)	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(O)	107.4055	0.028	2	107.4055	0.001	2	107.8672	0.318	5	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	C[5]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[5]C[5]2H)(PC[6a]2O)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(O)	C(C[5]C[5]2H)(PC[6a]2O)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)2(CC[5]HH)(O)	108.1750	0.529	3	108.1750	0.280	3	107.8672	0.318	5	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	C[6]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[5a,6]C[6]H)(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[5a,6]C[6]H)(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	109.4120	0.000	1	109.4120	0.000	1	108.4514	2.035	7	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	C[6]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6,6a]C[6a]C[6])(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[6,6a]C[6a]C[6])(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	109.5110	0.025	2	109.5110	0.001	2	108.4514	2.035	7	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	C[6]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]2C)(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[6]2C)(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	106.4970	1.030	2	106.4970	1.060	2	108.4514	2.035	7	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	C[6]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]2H)(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	C(C[6]C[6]2H)(PC[6a]2O)(H)2	H(CC[6]HP)	P(C[6a]C[6a]2)2(CC[6]HH)(O)	108.8660	0.027	2	108.8660	0.001	2	108.4514	2.035	7	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6]-3:C[6]-3:C-4:O-1:	C(PC[6]2O)(CCHH)(H)2	H(CCHP)	P(C[6]C[6]N[6])2(CCHH)(O)	C(PC[6]2O)(CCHH)(H)2	H(CCHP)	P(C[6]C[6]N[6])2(CCHH)(O)	108.7640	0.572	10	108.7640	0.327	10	108.8232	0.287	12	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6]-3:C[6]-3:C-4:O-1:	C(PC[6]2O)(CH3)(H)2	H(CCHP)	P(C[6]C[6]N[6])2(CCHH)(O)	C(PC[6]2O)(CH3)(H)2	H(CCHP)	P(C[6]C[6]N[6])2(CCHH)(O)	109.1195	0.006	2	109.1195	0.000	2	108.8232	0.287	12	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6]-3:C-4:I-1:	C(PC[6a]C[6]I)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	C(PC[6a]C[6]I)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	109.0515	1.521	2	109.0515	2.313	2	109.0515	2.313	2	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Br-1:	C(PC[6a]2Br)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(Br)	C(PC[6a]2Br)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(Br)	109.3386	0.340	5	109.3386	0.115	5	109.3386	0.115	5	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Cl-1:	C(PC[6a]2Cl)(CC3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(Cl)	C(PC[6a]2Cl)(CC3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(Cl)	107.0410	0.016	2	107.0410	0.000	2	108.1100	0.692	6	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Cl-1:	C(PC[6a]2Cl)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(Cl)	C(PC[6a]2Cl)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(Cl)	108.6445	0.100	4	108.6445	0.010	4	108.1100	0.692	6	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C(PC[6a]2H)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(H)	C(PC[6a]2H)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(H)	109.6105	0.177	4	109.6105	0.031	4	108.9459	2.704	8	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C(PC[6a]2H)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(H)	C(PC[6a]2H)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(H)	107.4525	3.543	2	107.4525	12.555	2	108.9459	2.704	8	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C(PC[6a]2H)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(H)	C(PC[6a]2H)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(H)	109.1100	0.010	2	109.1100	0.000	2	108.9459	2.704	8	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CC3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	107.6545	0.330	13	107.6545	0.109	13	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCCH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCCH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	108.6175	0.047	2	108.6175	0.002	2	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	109.2258	0.614	10	109.2258	0.377	10	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHN)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCHN)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	108.6490	0.016	2	108.6490	0.000	2	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHO)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCHO)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	108.0200	0.000	1	108.0200	0.000	1	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[4]HH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CC[4]HH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	109.2230	0.006	2	109.2230	0.000	2	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[5]HH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CC[5]HH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	109.6510	0.361	8	109.6510	0.130	8	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	107.6470	0.000	1	107.6470	0.000	1	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CHHN)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CHHN)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	109.8605	0.005	2	109.8605	0.000	2	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	109.3241	0.310	22	109.3241	0.096	22	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]N[6a])2(CCHH)(O)	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]N[6a])2(CCHH)(O)	109.4227	0.046	3	109.4227	0.002	3	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CHPP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CHPP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(O)	108.8920	0.207	8	108.8920	0.043	8	108.9443	0.589	74	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(S)	C(PC[6a]2S)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(S)	108.8170	0.000	1	108.8170	0.000	1	109.3643	0.118	7	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CC[4]HH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(S)	C(PC[6a]2S)(CC[4]HH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(S)	109.5895	0.012	2	109.5895	0.000	2	109.3643	0.118	7	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(S)	C(PC[6a]2S)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(S)	109.3885	0.319	4	109.3885	0.102	4	109.3643	0.118	7	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(PC[6a]2Se)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(Se)	C(PC[6a]2Se)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(Se)	108.8555	0.022	2	108.8555	0.000	2	109.1893	0.139	18	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(PC[6a]2Se)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(Se)	C(PC[6a]2Se)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(Se)	109.2311	0.374	16	109.2311	0.140	16	109.1893	0.139	18	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Br-1:	C(PC[6a]2Br)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(Br)	C(PC[6a]2Br)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(Br)	107.4317	0.088	4	107.4317	0.008	4	107.4317	0.008	4	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2B)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(O)	C(PC[6a]2B)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(O)	108.6315	0.039	2	108.6315	0.002	2	107.9353	0.713	10	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2Co)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(O)	C(PC[6a]2Co)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(O)	107.0405	0.036	2	107.0405	0.001	2	107.9353	0.713	10	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(O)	C(PC[6a]2O)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(O)	108.4123	0.770	4	108.4123	0.593	4	107.9353	0.713	10	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]PdC)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(O)	C(PC[6a]PdC)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(O)	107.1800	0.119	2	107.1800	0.014	2	107.9353	0.713	10	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2N)(PC[6a]2S)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(S)	C(PC[6a]2N)(PC[6a]2S)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(S)	107.3433	0.435	3	107.3433	0.189	3	106.9327	1.678	7	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(S)	C(PC[6a]2S)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(S)	106.6248	1.713	4	106.6248	2.935	4	106.9327	1.678	7	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(PC[6a]2Se)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(Se)	C(PC[6a]2Se)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(Se)	106.6605	0.046	2	106.6605	0.002	2	107.3468	0.370	9	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(PC[6a]2Se)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(Se)	C(PC[6a]2Se)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(Se)	107.5429	0.540	7	107.5429	0.292	7	107.3468	0.370	9	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:S-4:Cl-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SC[6a]OO)(Cl)(H)	H(CClPS)	P(C[6a]C[6a]2)2(CClHS)(S)	C(PC[6a]2S)(SC[6a]OO)(Cl)(H)	H(CClPS)	P(C[6a]C[6a]2)2(CClHS)(S)	107.2460	0.764	2	107.2460	0.583	2	107.2460	0.583	2	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:Si-4:Cl-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SiC[6a]3)(Cl)(H)	H(CClSiP)	P(C[6a]C[6a]2)2(CClSiH)(S)	C(PC[6a]2S)(SiC[6a]3)(Cl)(H)	H(CClSiP)	P(C[6a]C[6a]2)2(CClSiH)(S)	105.9375	0.842	2	105.9375	0.709	2	105.9375	0.709	2	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	P-4:Si-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SiC3)(H)2	H(CSiHP)	P(C[6a]C[6a]2)2(CSiHH)(S)	C(PC[6a]2S)(SiC3)(H)2	H(CSiHP)	P(C[6a]C[6a]2)2(CSiHH)(S)	107.3620	0.010	2	107.3620	0.000	2	107.3620	0.000	2	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	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)	H(CSiIP)	P(C[6a]C[6a]2)2(CSiHI)(S)	C(PC[6a]2S)(SiC3)(H)(I)	H(CSiIP)	P(C[6a]C[6a]2)2(CSiHI)(S)	106.9120	0.000	1	106.9120	0.000	1	106.5995	0.195	2	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	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)	H(CSiIP)	P(C[6a]C[6a]2)2(CSiHI)(S)	C(PC[6a]2S)(SiC[6a]3)(H)(I)	H(CSiIP)	P(C[6a]C[6a]2)2(CSiHI)(S)	106.2870	0.000	1	106.2870	0.000	1	106.5995	0.195	2	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:1:	Si-4:P-4:Cl-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(SiC[6a]CC)(PC[6a]2S)(Cl)(H)	H(CClSiP)	P(C[6a]C[6a]2)2(CClSiH)(S)	C(SiC[6a]CC)(PC[6a]2S)(Cl)(H)	H(CClSiP)	P(C[6a]C[6a]2)2(CClSiH)(S)	102.2970	0.000	1	102.2970	0.000	1	102.2970	0.000	1	108.5617	1.389	188	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	B-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(BC[6a]CC)(PC[6a]2O)(H)2	H(CBHP)	P(C[6a]C[6a]2)2(CBHH)(ONi)	C(BC[6a]CC)(PC[6a]2O)(H)2	H(CBHP)	P(C[6a]C[6a]2)2(CBHH)(ONi)	106.3157	0.138	4	106.3157	0.019	4	106.3157	0.019	4	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(PC[6a]2N)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(NS)	C(PC[6a]2N)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(NS)	109.4630	0.008	2	109.4630	0.000	2	109.4630	0.000	2	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OB)	C(PC[6a]2O)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OB)	109.5840	0.016	2	109.5840	0.000	2	108.8728	0.376	31	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OSn)	C(PC[6a]2O)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OSn)	108.2660	0.011	2	108.2660	0.000	2	108.8728	0.376	31	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CHHN)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(ORu)	C(PC[6a]2O)(CHHN)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(ORu)	108.7382	0.463	6	108.7382	0.214	6	108.8728	0.376	31	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OH)	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OH)	108.8668	0.290	5	108.8668	0.084	5	108.8728	0.376	31	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OMn)	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OMn)	108.5759	0.520	11	108.5759	0.270	11	108.8728	0.376	31	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OSn)	C(PC[6a]2O)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OSn)	109.0285	0.006	2	109.0285	0.000	2	108.8728	0.376	31	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CSnHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OSn)	C(PC[6a]2O)(CSnHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(OSn)	110.0673	0.092	3	110.0673	0.009	3	108.8728	0.376	31	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-2:	C(PC[6a]2S)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(SCu)	C(PC[6a]2S)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(SCu)	108.6773	0.042	3	108.6773	0.002	3	108.6773	0.002	3	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(PC[6a]2N)(PC[6a]2S)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NP)	C(PC[6a]2N)(PC[6a]2S)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NP)	107.4458	0.463	4	107.4458	0.214	4	107.1472	0.499	16	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NP)	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NP)	106.6205	1.565	2	106.6205	2.449	2	107.1472	0.499	16	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NSi)	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NSi)	108.2265	0.025	2	108.2265	0.001	2	107.1472	0.499	16	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(PC[6a]2Pd)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NP)	C(PC[6a]2Pd)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NP)	106.8415	0.005	2	106.8415	0.000	2	107.1472	0.499	16	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(PC[6a]2Ru)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NP)	C(PC[6a]2Ru)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NP)	106.8658	0.313	6	106.8658	0.098	6	107.1472	0.499	16	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(OH)	C(PC[6a]2O)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(OH)	108.4090	0.752	4	108.4090	0.566	4	108.8622	0.363	35	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(OSb)	C(PC[6a]2O)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(OSb)	108.6217	0.086	6	108.6217	0.007	6	108.8622	0.363	35	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(OSn)	C(PC[6a]2O)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(OSn)	108.7357	0.282	8	108.7357	0.079	8	108.8622	0.363	35	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(OZn)	C(PC[6a]2O)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(OZn)	108.8005	0.275	12	108.8005	0.076	12	108.8622	0.363	35	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2Pt)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(OPt)	C(PC[6a]2Pt)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(OPt)	110.4793	0.011	3	110.4793	0.000	3	108.8622	0.363	35	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2Rh)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(ORh)	C(PC[6a]2Rh)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(ORh)	108.9410	0.086	2	108.9410	0.007	2	108.8622	0.363	35	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-2:	C(PC[6a]2Cu)(PC[6a]2S)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(SCu)	C(PC[6a]2Cu)(PC[6a]2S)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(SCu)	109.3900	0.000	1	109.3900	0.000	1	108.9818	0.364	9	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-2:	C(PC[6a]2Ir)(PC[6a]2S)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(SIr)	C(PC[6a]2Ir)(PC[6a]2S)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(SIr)	109.2595	0.016	2	109.2595	0.000	2	108.9818	0.364	9	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-2:	C(PC[6a]2Pd)(PC[6a]2S)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(SPd)	C(PC[6a]2Pd)(PC[6a]2S)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(SPd)	109.7215	0.043	2	109.7215	0.002	2	108.9818	0.364	9	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-2:	C(PC[6a]2S)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(SPt)	C(PC[6a]2S)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(SPt)	108.3710	0.020	4	108.3710	0.000	4	108.9818	0.364	9	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:Se-2:	C(PC[6a]2Se)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(SeI)	C(PC[6a]2Se)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(SeI)	108.3355	0.022	2	108.3355	0.000	2	108.3355	0.000	2	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:2:	P-4:S-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-2:	C(PC[6a]2N)(SC[6a]OO)(H)2	H(CHPS)	P(C[6a]C[6a]2)2(CHHS)(NSi)	C(PC[6a]2N)(SC[6a]OO)(H)2	H(CHPS)	P(C[6a]C[6a]2)2(CHHS)(NSi)	107.8640	1.373	2	107.8640	1.886	2	107.8640	1.886	2	108.4908	0.953	104	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:3:	B-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-3:	C(BC[6a]N[5]2)(PC[6a]2O)(H)2	H(CBHP)	P(C[6a]C[6a]2)2(CBHH)(OLi2)	C(BC[6a]N[5]2)(PC[6a]2O)(H)2	H(CBHP)	P(C[6a]C[6a]2)2(CBHH)(OLi2)	107.0040	0.000	1	107.0040	0.000	1	107.0040	0.000	1	109.9066	0.743	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:3:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(COO)	C(PC[6a]2C)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(COO)	108.4120	0.034	2	108.4120	0.001	2	108.8775	0.289	4	109.9066	0.743	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:3:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(COO)	C(PC[6a]2C)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(COO)	109.3430	0.008	2	109.3430	0.000	2	108.8775	0.289	4	109.9066	0.743	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:3:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2Ir)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(CIrP)	C(PC[6a]2Ir)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(CIrP)	110.2635	0.128	8	110.2635	0.016	8	110.4949	0.159	14	109.9066	0.743	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:3:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2Mn)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(CMnC)	C(PC[6a]2Mn)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(CMnC)	110.0210	0.000	1	110.0210	0.000	1	110.4949	0.159	14	109.9066	0.743	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:3:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2Ni)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(CNiP)	C(PC[6a]2Ni)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(CNiP)	110.9600	0.232	5	110.9600	0.054	5	110.4949	0.159	14	109.9066	0.743	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:3:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-3:	C(PC[6a]2Fe)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NFeC)	C(PC[6a]2Fe)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NFeC)	109.6683	0.263	8	109.6683	0.069	8	109.8579	0.478	25	109.9066	0.743	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:3:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-3:	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NSiH)	C(PC[6a]2N)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NSiH)	108.2120	0.028	2	108.2120	0.001	2	109.8579	0.478	25	109.9066	0.743	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:3:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-3:	C(PC[6a]2Ni)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NNiC)	C(PC[6a]2Ni)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NNiC)	110.5140	0.505	8	110.5140	0.256	8	109.8579	0.478	25	109.9066	0.743	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:3:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:N-3:	C(PC[6a]2Rh)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NRhC)	C(PC[6a]2Rh)(PC[6a]2N)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(NRhC)	109.7950	0.054	7	109.7950	0.003	7	109.8579	0.478	25	109.9066	0.743	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	C-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(CC[6a]HO)(PC[6a]2B)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(BH3)	C(CC[6a]HO)(PC[6a]2B)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(BH3)	109.4840	0.024	2	109.4840	0.001	2	109.4840	0.001	2	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	C[5,6]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[5,6]C[5,5,6]P[5,5,6]H)(PC[6a]2B)(H)2	H(CC[5,6]HP)	P(C[6a]C[6a]2)2(CC[5,6]HH)(BH3)	C(C[5,6]C[5,5,6]P[5,5,6]H)(PC[6a]2B)(H)2	H(CC[5,6]HP)	P(C[6a]C[6a]2)2(CC[5,6]HH)(BH3)	108.9355	0.059	2	108.9355	0.003	2	108.9355	0.003	2	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:B-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(BHHN)(H)2	H(CBHP)	P(C[6a]C[6a]2)2(CBHH)(BH3)	C(PC[6a]2B)(BHHN)(H)2	H(CBHP)	P(C[6a]C[6a]2)2(CBHH)(BH3)	108.6170	0.040	2	108.6170	0.002	2	108.6170	0.002	2	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:B-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(BC[6a]3)(H)2	H(CBHP)	P(C[6a]C[6a]2)2(CClHH)(CBHH)	C(PC[6a]2C)(BC[6a]3)(H)2	H(CBHP)	P(C[6a]C[6a]2)2(CClHH)(CBHH)	106.2970	0.011	2	106.2970	0.000	2	106.2970	0.000	2	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(CCHN)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(BH3)	C(PC[6a]2B)(CCHN)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(BH3)	108.9710	0.017	2	108.9710	0.000	2	109.1167	0.030	4	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(CC[5]HH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(BH3)	C(PC[6a]2B)(CC[5]HH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(BH3)	109.2625	0.057	2	109.2625	0.003	2	109.1167	0.030	4	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(CH3)	C(PC[6a]2C)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(CH3)	109.3405	0.706	4	109.3405	0.498	4	108.7538	0.951	34	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)2	C(PC[6a]2C)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)2	109.2820	0.240	4	109.2820	0.058	4	108.7538	0.951	34	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CC3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(CH3)	C(PC[6a]2C)(CC3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(CH3)	106.6764	0.494	5	106.6764	0.244	5	108.7538	0.951	34	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)2	C(PC[6a]2C)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)2	108.6080	0.006	2	108.6080	0.000	2	108.7538	0.951	34	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CC[6a]3)(CCHH)	C(PC[6a]2C)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CC[6a]3)(CCHH)	108.9425	0.046	2	108.9425	0.002	2	108.7538	0.951	34	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CCHH)	C(PC[6a]2C)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CCHH)	108.9880	0.030	2	108.9880	0.001	2	108.7538	0.951	34	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)2	C(PC[6a]2C)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)2	109.4425	0.059	4	109.4425	0.003	4	108.7538	0.951	34	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(CH3)	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)(CH3)	108.9696	0.468	5	108.9696	0.219	5	108.7538	0.951	34	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)2	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CCHH)2	109.4840	0.008	2	109.4840	0.000	2	108.7538	0.951	34	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CPdCH)(CCHH)	C(PC[6a]2C)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(CPdCH)(CCHH)	108.7733	0.348	4	108.7733	0.121	4	108.7538	0.951	34	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:Ga-4:C-4:	C(PC[6a]2Ga)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(GaCl2C)(CCHH)	C(PC[6a]2Ga)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(GaCl2C)(CCHH)	108.7185	0.274	2	108.7185	0.075	2	108.9838	0.065	6	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:Ga-4:C-4:	C(PC[6a]2Ga)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(GaCl3)(CCHH)	C(PC[6a]2Ga)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(GaCl3)(CCHH)	109.1240	0.027	2	109.1240	0.001	2	108.9838	0.065	6	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:Ga-4:C-4:	C(PC[6a]2Ga)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(GaRuII)(CCHH)	C(PC[6a]2Ga)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(GaRuII)(CCHH)	109.1090	0.197	2	109.1090	0.039	2	108.9838	0.065	6	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:P-4:C-4:	C(PC[6a]2P)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(PClSS)(CCHH)	C(PC[6a]2P)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)2(PClSS)(CCHH)	108.6150	0.000	1	108.6150	0.000	1	108.6150	0.000	1	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:B-4:C-4:	C(PC[6a]2B)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(BCl3)(CHHP)	C(PC[6a]2B)2(H)2	H(CHPP)	P(C[6a]C[6a]2)2(BCl3)(CHHP)	106.1300	0.021	4	106.1300	0.000	4	108.6417	4.719	10	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:B-4:C-4:	C(PC[6a]2Ir)(PC[6a]2B)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(BIrHP)(CHHP)	C(PC[6a]2Ir)(PC[6a]2B)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(BIrHP)(CHHP)	110.3162	0.287	6	110.3162	0.083	6	108.6417	4.719	10	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(BH3)	C(PC[6a]2B)(PC[6a]2O)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CHHP)(BH3)	108.6005	0.005	2	108.6005	0.000	2	108.6005	0.000	2	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2Ir)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CIrHH)(CHHP)	C(PC[6a]2Ir)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CIrHH)(CHHP)	109.5055	0.036	2	109.5055	0.001	2	110.3505	0.236	10	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2Ni)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CNiHP)(CHHP)	C(PC[6a]2Ni)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CNiHP)(CHHP)	110.6898	0.213	4	110.6898	0.045	4	110.3505	0.236	10	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2Pd)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CPdHP)(CHHP)	C(PC[6a]2Pd)(PC[6a]2C)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(CPdHP)(CHHP)	110.4338	0.151	4	110.4338	0.023	4	110.3505	0.236	10	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:4:	P-4:Si-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(SiC3)(H)2	H(CSiHP)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CSiHH)(BH3)	C(PC[6a]2B)(SiC3)(H)2	H(CSiHP)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CSiHH)(BH3)	106.9955	0.012	2	106.9955	0.000	2	106.9955	0.000	2	108.8882	1.592	77	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:4:5:	P[5]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-5:	C(P[5]C[5]2Rh)(PC[6a]2B)(H)2	H(CP[5]HP)	P(C[6a]C[6a]2)2(CP[5]HH)(BRhH3)	C(P[5]C[5]2Rh)(PC[6a]2B)(H)2	H(CP[5]HP)	P(C[6a]C[6a]2)2(CP[5]HH)(BRhH3)	109.3750	0.004	2	109.3750	0.000	2	109.3750	0.000	2	109.3750	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:3:5:4:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:B-5:C-4:	C(PC[6a]2Rh)(PC[6a]2B)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(BRhH3)(CHHP)	C(PC[6a]2Rh)(PC[6a]2B)(H)2	H(CHPP)	P(C[6a]C[6a]2)2(BRhH3)(CHHP)	109.1878	1.989	6	109.1878	3.958	6	109.1878	3.958	6	109.1878	3.958	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:1:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:H-1:H-1:	C(PC[6a]HH)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(H)2	C(PC[6a]HH)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(H)2	109.9085	0.005	2	109.9085	0.000	2	109.5190	0.455	3	108.6453	1.638	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:1:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:H-1:H-1:	C(PC[6a]HH)(CB[5]HH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(H)2	C(PC[6a]HH)(CB[5]HH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(H)2	108.7400	0.000	1	108.7400	0.000	1	109.5190	0.455	3	108.6453	1.638	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:1:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:H-1:O-1:	C(PC[6a]HO)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(H)(O)	C(PC[6a]HO)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(H)(O)	109.4545	0.039	4	109.4545	0.001	4	109.4545	0.001	4	108.6453	1.638	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:1:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(PC[6a]OO)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(O)2	C(PC[6a]OO)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(O)2	108.6507	0.321	3	108.6507	0.103	3	108.6507	0.103	3	108.6453	1.638	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:1:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-1:S-1:	C(PC[6a]OS)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(O)(S)	C(PC[6a]OS)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(O)(S)	104.9765	0.472	2	104.9765	0.222	2	104.9765	0.222	2	108.6453	1.638	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:1:1:	P-4:N-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-1:O-1:	C(PC[6a]OO)(NCCH)(H)2	H(CHNP)	P(C[6a]C[6a]2)(CHHN)(O)2	C(PC[6a]OO)(NCCH)(H)2	H(CHNP)	P(C[6a]C[6a]2)(CHHN)(O)2	108.7917	0.336	10	108.7917	0.113	10	108.7917	0.113	10	108.6453	1.638	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:2:1:	N[6]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(N[6]C[6]2H)(PC[6a]OO)(H)2	H(CN[6]HP)	P(C[6a]C[6a]2)(CN[6]HH)(OH)(O)	C(N[6]C[6]2H)(PC[6a]OO)(H)2	H(CN[6]HP)	P(C[6a]C[6a]2)(CN[6]HH)(OH)(O)	108.4635	0.384	8	108.4635	0.147	8	108.4635	0.147	8	108.7511	0.337	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:2:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(OH)(O)	C(PC[6a]OO)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(OH)(O)	108.8910	0.049	2	108.8910	0.002	2	108.7735	0.204	6	108.7511	0.337	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:2:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(OH)(O)	C(PC[6a]OO)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(OH)(O)	108.2210	0.016	2	108.2210	0.000	2	108.7735	0.204	6	108.7511	0.337	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:2:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(OH)(O)	C(PC[6a]OO)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(OH)(O)	109.2085	0.022	2	109.2085	0.000	2	108.7735	0.204	6	108.7511	0.337	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:2:1:	P-4:N-4:H-1:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(NCoCC)(H)2	H(CHNP)	P(C[6a]C[6a]2)(CHHN)(OCo)(O)	C(PC[6a]OO)(NCoCC)(H)2	H(CHNP)	P(C[6a]C[6a]2)(CHHN)(OCo)(O)	109.8345	0.006	2	109.8345	0.000	2	109.8345	0.000	2	108.7511	0.337	16	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:2:2:	C-4:P-4:H-1:H-1:	C-4:	Se-3:C-4:Se-2:Se-2:	C(CCHH)(PSe3)(H)2	H(CCHP)	P(SeMg2)(CCHH)(SeMg)2	C(CCHH)(PSe3)(H)2	H(CCHP)	P(SeMg2)(CCHH)(SeMg)2	108.2095	0.022	2	108.2095	0.000	2	108.2095	0.000	2	108.5042	0.117	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:2:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:S-2:S-2:	C(PC[6a]SS)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(SNi)2	C(PC[6a]SS)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(SNi)2	108.7990	0.052	2	108.7990	0.003	2	108.7990	0.003	2	108.5042	0.117	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:3:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(CCH)(O)	C(PC[6a]CO)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(CCH)(O)	108.7935	0.023	2	108.7935	0.001	2	108.7935	0.001	2	108.7935	0.001	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:3:3:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-3:C-3:	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(CAlC)(CCP)	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(CAlC)(CCP)	108.6675	0.091	4	108.6675	0.008	4	108.9334	0.070	10	108.9334	0.070	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:3:3:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-3:C-3:	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(CAlC)(CNO)	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(CAlC)(CNO)	109.2092	0.075	4	109.2092	0.006	4	108.9334	0.070	10	108.9334	0.070	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:3:3:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-3:C-3:	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(CAlC)(COO)	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(CAlC)(COO)	108.9135	0.008	2	108.9135	0.000	2	108.9334	0.070	10	108.9334	0.070	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:3:4:	C[5]-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C(C[5]C[5]2Fe)(PC[6a]C[6]2)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]2)(CC[5]HH)	C(C[5]C[5]2Fe)(PC[6a]C[6]2)(H)2	H(CC[5]HP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]2)(CC[5]HH)	108.0175	0.046	2	108.0175	0.002	2	108.0175	0.002	2	108.4605	0.230	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:P-4:N-3:C-4:	C(PC[6a]NP)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(PC[6a]NS)(NC[6a]Zn)(CCHH)	C(PC[6a]NP)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(PC[6a]NS)(NC[6a]Zn)(CCHH)	108.6820	0.431	4	108.6820	0.186	4	108.6820	0.186	4	108.4605	0.230	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:B-4:H-1:	C(PC[6a]BH)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(BH3)(H)	C(PC[6a]BH)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(BH3)(H)	108.1727	0.037	3	108.1727	0.001	3	108.1727	0.001	3	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-1:	C(PC[6a]BC)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(B)	C(PC[6a]BC)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(B)	108.9750	0.149	3	108.9750	0.022	3	108.9750	0.022	3	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:H-1:	C(PC[6a]CH)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(H)	C(PC[6a]CH)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(H)	108.8377	0.046	3	108.8377	0.002	3	108.8377	0.002	3	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(O)	C(PC[6a]CO)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(O)	108.6380	0.078	2	108.6380	0.006	2	107.7029	4.472	8	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(O)	C(PC[6a]CO)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(O)	110.0260	0.011	2	110.0260	0.000	2	107.7029	4.472	8	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CHHS)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(O)	C(PC[6a]CO)(CHHS)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(O)	106.0738	1.647	4	106.0738	2.714	4	107.7029	4.472	8	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:S-1:	C(PC[6a]CS)(CHHS)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(S)	C(PC[6a]CS)(CHHS)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(S)	107.7117	0.469	4	107.7117	0.220	4	107.7117	0.220	4	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6]-4:C-4:O-1:	C(PC[6a]C[6]O)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(O)	C(PC[6a]C[6]O)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(O)	109.2630	0.033	2	109.2630	0.001	2	109.2630	0.001	2	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:P-4:C-4:S-1:	C(PC[6a]PS)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(PC[6a]CS)(CCHH)(S)	C(PC[6a]PS)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(PC[6a]CS)(CCHH)(S)	109.3745	0.009	2	109.3745	0.000	2	109.3745	0.000	2	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	N[5a]-3:C-4:C-4:O-1:	C(PN[5a]CO)(CH3)(H)2	H(CCHP)	P(N[5a]C[5a,6a]C[5a])(CCHH)2(O)	C(PN[5a]CO)(CH3)(H)2	H(CCHP)	P(N[5a]C[5a,6a]C[5a])(CCHH)2(O)	109.1110	0.240	4	109.1110	0.058	4	109.1110	0.058	4	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:1:	P-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:B-4:H-1:	C(PC[6a]BH)2(H)2	H(CHPP)	P(C[6a]C[6a]2)(CHHP)(BH3)(H)	C(PC[6a]BH)2(H)2	H(CHPP)	P(C[6a]C[6a]2)(CHHP)(BH3)(H)	109.0120	0.020	3	109.0120	0.000	3	109.0120	0.000	3	108.4744	1.486	32	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:2:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(CHHS)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(ONi)	C(PC[6a]CO)(CHHS)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(ONi)	108.0090	0.262	4	108.0090	0.068	4	108.0090	0.068	4	108.0090	0.068	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	B[6]-4:P-4:H-1:H-1:	C-4:	B[6]-3:C-4:C-4:C-4:	C(B[6]C[6]2Yb)(PB[6]CC)(H)2	H(CB[6]HP)	P(B[6]C[6]2)(CB[6]HH)(CH3)2	C(B[6]C[6]2Yb)(PB[6]CC)(H)2	H(CB[6]HP)	P(B[6]C[6]2)(CB[6]HH)(CH3)2	108.2395	0.019	2	108.2395	0.000	2	108.2395	0.000	2	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(CC[6a]2O)(PC[6a]BC)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(BH3)	C(CC[6a]2O)(PC[6a]BC)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(BH3)	107.4500	0.284	4	107.4500	0.080	4	107.4500	0.080	4	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	N-3:C-4:C-4:C-4:	C(CHHN)(PCCN)(H)2	H(CCHP)	P(NC[6a]Co)(CCCH)2(CCHH)	C(CHHN)(PCCN)(H)2	H(CCHP)	P(NC[6a]Co)(CCCH)2(CCHH)	107.8370	0.047	2	107.8370	0.002	2	107.8370	0.002	2	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	P-3:C-4:C-4:C-4:	C(CHHP)(PCCP)(H)2	H(CCHP)	P(PC[6a]2)(CCHH)(CH3)2	C(CHHP)(PCCP)(H)2	H(CCHP)	P(PC[6a]2)(CCHH)(CH3)2	109.0193	0.227	6	109.0193	0.052	6	109.0193	0.052	6	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	B-3:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	H(CCHP)	P(BC[5]Cl)(CCHH)3	C(PBCC)(CH3)(H)2	H(CCHP)	P(BC[5]Cl)(CCHH)3	108.6750	0.307	6	108.6750	0.094	6	108.6750	0.094	6	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[5a]-3:C-4:C-4:B-4:	C(PC[5a]BC)(CH3)(H)2	H(CCHP)	P(C[5a]C[5a]N[5a])(CCHH)2(BH3)	C(PC[5a]BC)(CH3)(H)2	H(CCHP)	P(C[5a]C[5a]N[5a])(CCHH)2(BH3)	108.9789	1.342	11	108.9789	1.800	11	108.9789	1.800	11	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6]-3:C-4:C-4:C-4:	C(PC[6]CC)(CCHH)(H)2	H(CCHP)	P(C[6]C[6]2)(CCHH)(CC3)2	C(PC[6]CC)(CCHH)(H)2	H(CCHP)	P(C[6]C[6]2)(CCHH)(CC3)2	107.3465	0.025	2	107.3465	0.001	2	107.3465	0.001	2	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:B-4:C-4:C-4:	C(PC[6a]BC)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(BHHP)(CCHH)2	C(PC[6a]BC)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(BHHP)(CCHH)2	107.0175	1.512	4	107.0175	2.286	4	107.0175	2.286	4	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	C(PC[6a]BC)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	108.6653	0.079	4	108.6653	0.006	4	108.7965	0.251	46	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CHHO)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(BH3)	C(PC[6a]BC)(CHHO)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(BH3)	108.3895	0.449	16	108.3895	0.201	16	108.7965	0.251	46	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(BH3)	C(PC[6a]BC)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(BH3)	109.0595	0.402	20	109.0595	0.161	20	108.7965	0.251	46	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	C(PC[6a]BC)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	109.0927	0.338	6	109.0927	0.114	6	108.7965	0.251	46	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(CC3)2	C(PC[6a]CC)(CBHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)(CC3)2	107.7400	0.040	2	107.7400	0.002	2	108.5013	0.244	42	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCCH)2(CCHH)	C(PC[6a]CC)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCCH)2(CCHH)	108.4735	0.042	2	108.4735	0.002	2	108.5013	0.244	42	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)3	C(PC[6a]CC)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)3	108.2325	0.560	12	108.2325	0.313	12	108.5013	0.244	42	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6,6a]C[6a])(CCHH)3	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6,6a]C[6a])(CCHH)3	108.5452	0.309	10	108.5452	0.095	10	108.5013	0.244	42	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a,6a]C[6a])(CCHH)3	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a,6a]C[6a])(CCHH)3	108.5127	0.462	6	108.5127	0.213	6	108.5013	0.244	42	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)3	C(PC[6a]CC)(CH3)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)3	108.8780	0.338	6	108.8780	0.114	6	108.5013	0.244	42	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(CH3)	C(PC[6a]CC)(CHHP)(H)2	H(CCHP)	P(C[6a]C[6a]2)(CCHH)2(CH3)	109.0102	0.203	4	109.0102	0.041	4	108.5013	0.244	42	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6a]-3:C[6]-4:C-4:B-4:	C(PC[6a]C[6]B)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(BH3)	C(PC[6a]C[6]B)(CCHH)(H)2	H(CCHP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(BH3)	108.4545	0.077	2	108.4545	0.006	2	108.4545	0.006	2	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	Ge[5]-3:C-4:C-4:C-4:	C(PGe[5]CC)(CH3)(H)2	H(CCHP)	P(Ge[5]Ge[5]2)(CCHH)3	C(PGe[5]CC)(CH3)(H)2	H(CCHP)	P(Ge[5]Ge[5]2)(CCHH)3	108.7692	0.488	6	108.7692	0.238	6	108.7692	0.238	6	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	N[4]-3:C-4:C-4:C-4:	C(PN[4]CC)(CH3)(H)2	H(CCHP)	P(N[4]B[4]2)(CCHH)3	C(PN[4]CC)(CH3)(H)2	H(CCHP)	P(N[4]B[4]2)(CCHH)3	108.4938	0.112	4	108.4938	0.012	4	108.4938	0.012	4	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	N[6]-3:C-4:C-4:C-4:	C(PN[6]CC)(CCHH)(H)2	H(CCHP)	P(N[6]C[6,6a]Ge[6])(CCHH)3	C(PN[6]CC)(CCHH)(H)2	H(CCHP)	P(N[6]C[6,6a]Ge[6])(CCHH)3	108.5357	0.401	12	108.5357	0.161	12	108.5357	0.161	12	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:P-4:H-1:H-1:	C-4:	As[6a]-3:C-4:C-4:C-4:	C(PAs[6a]CC)2(H)2	H(CHPP)	P(As[6a]C[6a,6a]2)(CHHP)(CH3)2	C(PAs[6a]CC)2(H)2	H(CHPP)	P(As[6a]C[6a,6a]2)(CHHP)(CH3)2	107.0902	0.023	4	107.0902	0.001	4	107.0902	0.001	4	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:P-4:H-1:H-1:	C-4:	P-3:C-4:C-4:C-4:	C(PCCP)2(H)2	H(CHPP)	P(PC[6a]2)(CHHP)(CH3)2	C(PCCP)2(H)2	H(CHPP)	P(PC[6a]2)(CHHP)(CH3)2	106.8123	0.024	3	106.8123	0.001	3	106.8123	0.001	3	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	3:4:4:4:	P-4:Si-4:H-1:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(SiC3)(H)2	H(CSiHP)	P(C[6a]C[6a]2)(CSiHH)2(BH3)	C(PC[6a]BC)(SiC3)(H)2	H(CSiHP)	P(C[6a]C[6a]2)(CSiHH)2(BH3)	107.2667	0.274	3	107.2667	0.075	3	107.2667	0.075	3	108.4772	0.614	159	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:1:1:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:H-1:O-1:O-1:	C(CCHN)(PHOO)(H)2	H(CCHP)	P(CCHH)(H)(O)2	C(CCHN)(PHOO)(H)2	H(CCHP)	P(CCHH)(H)(O)2	106.5880	4.824	2	106.5880	23.270	2	106.5880	23.270	2	108.7361	1.894	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:1:1:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-1:O-1:O-1:	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(O)3	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(O)3	108.9352	0.064	4	108.9352	0.004	4	108.9352	0.004	4	108.7361	1.894	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:H-1:O-1:O-1:	C(NCCH)(PHOO)(H)2	H(CHNP)	P(CHHN)(H)(O)2	C(NCCH)(PHOO)(H)2	H(CHNP)	P(CHHN)(H)(O)2	108.2000	0.526	14	108.2000	0.276	14	108.3999	0.341	20	108.7361	1.894	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:H-1:O-1:O-1:	C(NCHH)(PHOO)(H)2	H(CHNP)	P(CHHN)(H)(O)2	C(NCHH)(PHOO)(H)2	H(CHNP)	P(CHHN)(H)(O)2	109.1573	0.069	4	109.1573	0.005	4	108.3999	0.341	20	108.7361	1.894	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:H-1:O-1:O-1:	C(NC[6]2H)(PHOO)(H)2	H(CHNP)	P(CHHN)(H)(O)2	C(NC[6]2H)(PHOO)(H)2	H(CHNP)	P(CHHN)(H)(O)2	108.2850	0.017	2	108.2850	0.000	2	108.3999	0.341	20	108.7361	1.894	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-1:O-1:O-1:	C(NCCH)(PO3)(H)2	H(CHNP)	P(CHHN)(O)3	C(NCCH)(PO3)(H)2	H(CHNP)	P(CHHN)(O)3	108.0930	0.011	2	108.0930	0.000	2	109.5406	4.634	8	108.7361	1.894	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:1:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-1:O-1:O-1:	C(NCHH)(PO3)(H)2	H(CHNP)	P(CHHN)(O)3	C(NCHH)(PO3)(H)2	H(CHNP)	P(CHHN)(O)3	110.0232	2.317	6	110.0232	5.371	6	109.5406	4.634	8	108.7361	1.894	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:1:1:1:	N[6]-4:P-4:H-1:H-1:	C-4:	C-4:H-1:O-1:O-1:	C(N[6]C[6]2H)(PHOO)(H)2	H(CN[6]HP)	P(CN[6]HH)(H)(O)2	C(N[6]C[6]2H)(PHOO)(H)2	H(CN[6]HP)	P(CN[6]HH)(H)(O)2	108.4910	0.035	2	108.4910	0.001	2	108.4910	0.001	2	108.7361	1.894	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:1:1:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:F-1:F-1:O-1:	C(PFFO)2(H)2	H(CHPP)	P(CHHP)(F)2(O)	C(PFFO)2(H)2	H(CHPP)	P(CHHP)(F)2(O)	109.2707	0.049	8	109.2707	0.002	8	109.2707	0.002	8	108.7361	1.894	44	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:H-1:O-1:	C(CHHP)(PHOO)(H)2	H(CCHP)	P(CCHH)(OH)(H)(O)	C(CHHP)(PHOO)(H)2	H(CCHP)	P(CCHH)(OH)(H)(O)	104.1930	2.595	2	104.1930	6.734	2	104.1930	6.734	2	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CCCH)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	C(CCCH)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	108.1870	0.030	2	108.1870	0.001	2	108.5876	0.747	54	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	108.7050	0.409	40	108.7050	0.167	40	108.5876	0.747	54	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CC[5]HH)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	C(CC[5]HH)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	108.6432	1.822	6	108.6432	3.320	6	108.5876	0.747	54	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CHHP)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	C(CHHP)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)(O)2	107.8825	1.587	6	107.8825	2.519	6	108.5876	0.747	54	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:H-1:O-1:	C(NCCH)(PHOO)(H)2	H(CHNP)	P(CHHN)(OH)(H)(O)	C(NCCH)(PHOO)(H)2	H(CHNP)	P(CHHN)(OH)(H)(O)	108.0025	0.012	4	108.0025	0.000	4	108.0025	0.000	4	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(NCCH)(PO3)(H)2	H(CHNP)	P(CHHN)(OH)(O)2	C(NCCH)(PO3)(H)2	H(CHNP)	P(CHHN)(OH)(O)2	108.5320	0.665	35	108.5320	0.442	35	108.8503	1.484	85	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(NCHH)(PO3)(H)2	H(CHNP)	P(CHHN)(OH)(O)2	C(NCHH)(PO3)(H)2	H(CHNP)	P(CHHN)(OH)(O)2	108.8269	1.222	38	108.8269	1.495	38	108.8503	1.484	85	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(NH3)(PO3)(H)2	H(CHNP)	P(CHHN)(OH)(O)2	C(NH3)(PO3)(H)2	H(CHNP)	P(CHHN)(OH)(O)2	111.6033	2.175	4	111.6033	4.732	4	108.8503	1.484	85	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(NNiCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OH)(O)2	C(NNiCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OH)(O)2	107.4635	0.025	2	107.4635	0.001	2	108.8503	1.484	85	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(NNiCC)(PO3)(H)2	H(CHNP)	P(CHHN)(ONi)(O)2	C(NNiCC)(PO3)(H)2	H(CHNP)	P(CHHN)(ONi)(O)2	109.4822	0.073	6	109.4822	0.005	6	108.8503	1.484	85	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	N[6]-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(N[6]C[6]2H)(PO3)(H)2	H(CN[6]HP)	P(CN[6]HH)(OH)(O)2	C(N[6]C[6]2H)(PO3)(H)2	H(CN[6]HP)	P(CN[6]HH)(OH)(O)2	108.5263	0.942	4	108.5263	0.887	4	108.5263	0.887	4	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:O-2:H-1:O-1:	C(PCOO)(PHOO)(H)2	H(CHPP)	P(CHHP)(OH)(H)(O)	C(PCOO)(PHOO)(H)2	H(CHPP)	P(CHHP)(OH)(H)(O)	108.0895	0.005	2	108.0895	0.000	2	108.0895	0.000	2	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:1:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(PO3)2(H)2	H(CHPP)	P(CHHP)(OH)(O)2	C(PO3)2(H)2	H(CHPP)	P(CHHP)(OH)(O)2	108.0528	0.027	4	108.0528	0.001	4	108.0528	0.001	4	108.6380	1.434	155	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:Cl-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[6a]HO)(PO3)(Cl)(H)	H(CClCP)	P(CClCH)(OC)2(O)	C(CC[6a]HO)(PO3)(Cl)(H)	H(CClCP)	P(CClCH)(OC)2(O)	109.1813	0.101	3	109.1813	0.010	3	109.1813	0.010	3	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:F-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CCHN)(PO3)(F)(H)	H(CCFP)	P(CCFH)(OC)2(O)	C(CCHN)(PO3)(F)(H)	H(CCFP)	P(CCFH)(OC)2(O)	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	108.1365	0.894	2	108.1365	0.800	2	108.3949	1.258	76	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)2(O)	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)2(O)	108.2543	1.093	45	108.2543	1.194	45	108.3949	1.258	76	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OMn)(OH)(O)	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OMn)(OH)(O)	109.0655	0.028	2	109.0655	0.001	2	108.3949	1.258	76	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OZn)(OH)(O)	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OZn)(OH)(O)	108.6834	0.203	10	108.6834	0.041	10	108.3949	1.258	76	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CCHN)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	C(CCHN)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	108.5330	0.013	2	108.5330	0.000	2	108.3949	1.258	76	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[5]HH)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	C(CC[5]HH)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	106.4440	0.257	2	106.4440	0.066	2	108.3949	1.258	76	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[6]HH)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)2(O)	C(CC[6]HH)(PO3)(H)2	H(CCHP)	P(CCHH)(OH)2(O)	108.6130	2.937	4	108.6130	8.627	4	108.3949	1.258	76	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[6a]HH)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	C(CC[6a]HH)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)2(O)	108.9930	0.352	8	108.9930	0.124	8	108.3949	1.258	76	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CHHP)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)(OH)(O)	C(CHHP)(PO3)(H)2	H(CCHP)	P(CCHH)(OC)(OH)(O)	108.9840	0.000	1	108.9840	0.000	1	108.3949	1.258	76	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(NCCH)(PO3)(H)2	H(CHNP)	P(CHHN)(OC)2(O)	C(NCCH)(PO3)(H)2	H(CHNP)	P(CHHN)(OC)2(O)	110.2735	0.073	4	110.2735	0.005	4	109.0157	0.607	20	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(NCCH)(PO3)(H)2	H(CHNP)	P(CHHN)(OH)2(O)	C(NCCH)(PO3)(H)2	H(CHNP)	P(CHHN)(OH)2(O)	108.4038	0.401	8	108.4038	0.160	8	109.0157	0.607	20	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(NCoCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OCo)(OH)(O)	C(NCoCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OCo)(OH)(O)	109.3903	0.017	3	109.3903	0.000	3	109.0157	0.607	20	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(NCuCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OCu)(OH)(O)	C(NCuCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OCu)(OH)(O)	109.0720	0.000	1	109.0720	0.000	1	109.0157	0.607	20	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(NNiCC)(PO3)(H)2	H(CHNP)	P(CHHN)(ONi)(OH)(O)	C(NNiCC)(PO3)(H)2	H(CHNP)	P(CHHN)(ONi)(OH)(O)	108.9215	0.005	2	108.9215	0.000	2	109.0157	0.607	20	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(NZnCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OZn)(OH)(O)	C(NZnCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OZn)(OH)(O)	108.4520	0.011	2	108.4520	0.000	2	109.0157	0.607	20	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	N[6]-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(N[6]C[6]2H)(PO3)(H)2	H(CN[6]HP)	P(CN[6]HH)(OH)2(O)	C(N[6]C[6]2H)(PO3)(H)2	H(CN[6]HP)	P(CN[6]HH)(OH)2(O)	109.6360	4.398	2	109.6360	19.344	2	109.6360	19.344	2	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)2(H)2	H(CHPP)	P(CHHP)(OC)(OH)(O)	C(PO3)2(H)2	H(CHPP)	P(CHHP)(OC)(OH)(O)	108.4108	0.033	4	108.4108	0.001	4	108.2842	0.040	6	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)2(H)2	H(CHPP)	P(CHHP)(OH)2(O)	C(PO3)2(H)2	H(CHPP)	P(CHHP)(OH)2(O)	108.0310	0.044	2	108.0310	0.002	2	108.2842	0.040	6	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:1:	S-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(SCOO)(PO3)(H)2	H(CHPS)	P(CHHS)(OC)2(O)	C(SCOO)(PO3)(H)2	H(CHPS)	P(CHHS)(OC)2(O)	108.6371	0.158	11	108.6371	0.025	11	108.6371	0.025	11	108.5479	1.164	119	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:2:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OZn)(OH)2	C(CCHH)(PO3)(H)2	H(CCHP)	P(CCHH)(OZn)(OH)2	109.0002	0.092	4	109.0002	0.008	4	107.9932	3.029	6	107.9932	3.029	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:2:2:2:	C-4:P-4:H-1:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(CHHP)(PO3)(H)2	H(CCHP)	P(CCHH)(OCu)2(OH)	C(CHHP)(PO3)(H)2	H(CCHP)	P(CCHH)(OCu)2(OH)	105.9790	1.717	2	105.9790	2.948	2	107.9932	3.029	6	107.9932	3.029	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:3:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:C-3:O-1:O-1:	C(NNiHH)(PCOO)(H)2	H(CHNP)	P(CHHN)(CHN)(O)2	C(NNiHH)(PCOO)(H)2	H(CHNP)	P(CHHN)(CHN)(O)2	105.1560	1.756	2	105.1560	3.085	2	105.1560	3.085	2	107.3978	4.968	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:3:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-3:O-1:O-1:	C(NMnCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OMn2)(O)2	C(NMnCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OMn2)(O)2	108.7380	0.000	1	108.7380	0.000	1	108.8923	0.018	3	107.3978	4.968	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:3:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-3:O-1:O-1:	C(NNiCC)(PO3)(H)2	H(CHNP)	P(CHHN)(ONi2)(O)2	C(NNiCC)(PO3)(H)2	H(CHNP)	P(CHHN)(ONi2)(O)2	108.9695	0.023	2	108.9695	0.001	2	108.8923	0.018	3	107.3978	4.968	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:3:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:N-3:S-2:O-1:	C(CCHH)(PNOS)(H)2	H(CCHP)	P(CCHH)(NCH)(SC)(O)	C(CCHH)(PNOS)(H)2	H(CCHP)	P(CCHH)(NCH)(SC)(O)	108.9333	0.495	3	108.9333	0.245	3	108.9333	0.245	3	109.1384	0.202	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:3:2:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:O-3:O-2:O-1:	C(NLiCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OLi2)(OH)(O)	C(NLiCC)(PO3)(H)2	H(CHNP)	P(CHHN)(OLi2)(OH)(O)	109.4460	0.027	2	109.4460	0.001	2	109.4460	0.001	2	109.1384	0.202	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:3:3:4:	P-4:C-4:H-1:H-1:	C-4:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(CBHH)(H)2	H(CCHP)	P(C[5]B[5]O[5]H)(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2C[5])(CBHH)(H)2	H(CCHP)	P(C[5]B[5]O[5]H)(C[6a]C[6a]2)2(CCHH)	109.1423	0.045	3	109.1423	0.002	3	109.1423	0.002	3	109.1423	0.002	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:3:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:N-3:C-4:C-4:	C(CCCO)(PCCN)(H)2	H(CCHP)	P(CCHH)(NSnN)(CC3)2	C(CCCO)(PCCN)(H)2	H(CCHP)	P(CCHH)(NSnN)(CC3)2	107.4910	0.031	2	107.4910	0.001	2	107.4910	0.001	2	108.8188	1.681	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:3:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:P-3:C-4:C-4:	C(CHHP)(PCCP)(H)2	H(CCHP)	P(CCHH)(PMoN)(CH3)2	C(CHHP)(PCCP)(H)2	H(CCHP)	P(CCHH)(PMoN)(CH3)2	108.9530	0.000	1	108.9530	0.000	1	108.9530	0.000	1	108.8188	1.681	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:3:4:4:	P-4:P-4:H-1:H-1:	C-4:	C-4:P-3:C-4:C-4:	C(PMoCC)(PCCP)(H)2	H(CHPP)	P(CHHP)(PMoN)(CH3)2	C(PMoCC)(PCCP)(H)2	H(CHPP)	P(CHHP)(PMoN)(CH3)2	110.0795	0.013	2	110.0795	0.000	2	110.0795	0.000	2	108.8188	1.681	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:1:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:S-1:S-1:	C(CCCH)(PCSS)(H)2	H(CCHP)	P(CCHH)2(S)2	C(CCCH)(PCSS)(H)2	H(CCHP)	P(CCHH)2(S)2	107.9445	0.064	2	107.9445	0.004	2	107.9445	0.004	2	109.0433	0.836	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:1:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:C-4:O-1:O-1:	C(NCCH)(PCOO)(H)2	H(CHNP)	P(CN[5]HH)(CHHN)(O)2	C(NCCH)(PCOO)(H)2	H(CHNP)	P(CN[5]HH)(CHHN)(O)2	110.1085	0.025	2	110.1085	0.001	2	110.1085	0.001	2	109.0433	0.836	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:1:1:	P-4:N-4:H-1:H-1:	C-4:	C-4:C-4:O-1:O-1:	C(PCOO)(NH3)(H)2	H(CHNP)	P(CCOP)(CHHN)(O)2	C(PCOO)(NH3)(H)2	H(CHNP)	P(CCOP)(CHHN)(O)2	108.7583	0.112	4	108.7583	0.012	4	109.0516	0.644	8	109.0433	0.836	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:1:1:	P-4:N-4:H-1:H-1:	C-4:	C-4:C-4:O-1:O-1:	C(PCOO)(NH3)(H)2	H(CHNP)	P(CHHN)2(O)2	C(PCOO)(NH3)(H)2	H(CHNP)	P(CHHN)2(O)2	109.3450	1.123	4	109.3450	1.262	4	109.0516	0.644	8	109.0433	0.836	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(CCHH)(PCOO)(H)2	H(CCHP)	P(CCHH)(CCHN)(OC)(O)	C(CCHH)(PCOO)(H)2	H(CCHP)	P(CCHH)(CCHN)(OC)(O)	108.7935	0.022	2	108.7935	0.000	2	107.6332	3.885	6	108.3415	2.856	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(CHHP)(PCOO)(H)2	H(CCHP)	P(CCHH)(CH3)(OH)(O)	C(CHHP)(PCOO)(H)2	H(CCHP)	P(CCHH)(CH3)(OH)(O)	107.0530	2.264	4	107.0530	5.128	4	107.6332	3.885	6	108.3415	2.856	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:S-2:S-1:	C(CCCH)(PCSS)(H)2	H(CCHP)	P(CCHH)2(SH)(S)	C(CCCH)(PCSS)(H)2	H(CCHP)	P(CCHH)2(SH)(S)	108.0034	0.136	8	108.0034	0.018	8	108.0034	0.018	8	108.3415	2.856	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:1:	N-4:P-4:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(NNiCC)(PCOO)(H)2	H(CHNP)	P(CHHN)(CHHP)(ONi)(O)	C(NNiCC)(PCOO)(H)2	H(CHNP)	P(CHHN)(CHHP)(ONi)(O)	109.6610	0.006	2	109.6610	0.000	2	109.6610	0.000	2	108.3415	2.856	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:1:	P-4:N-4:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(PCOO)(NH3)(H)2	H(CHNP)	P(CHHN)2(OCd)(O)	C(PCOO)(NH3)(H)2	H(CHNP)	P(CHHN)2(OCd)(O)	110.0282	2.311	4	110.0282	5.342	4	108.6434	4.380	16	108.3415	2.856	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:1:	P-4:N-4:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(PCOO)(NH3)(H)2	H(CHNP)	P(CHHN)2(OCo)(O)	C(PCOO)(NH3)(H)2	H(CHNP)	P(CHHN)2(OCo)(O)	108.8130	1.133	4	108.8130	1.283	4	108.6434	4.380	16	108.3415	2.856	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:1:	P-4:N-4:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(PCOO)(NH3)(H)2	H(CHNP)	P(CHHN)2(OMn)(O)	C(PCOO)(NH3)(H)2	H(CHNP)	P(CHHN)2(OMn)(O)	108.3937	2.670	4	108.3937	7.131	4	108.6434	4.380	16	108.3415	2.856	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:1:	P-4:N-4:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(PCOO)(NH3)(H)2	H(CHNP)	P(CHHN)2(ONi)(O)	C(PCOO)(NH3)(H)2	H(CHNP)	P(CHHN)2(ONi)(O)	107.3385	1.788	4	107.3385	3.195	4	108.6434	4.380	16	108.3415	2.856	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(PCOO)(PHOO)(H)2	H(CHPP)	P(CHHN)(CHHP)(ONi)(O)	C(PCOO)(PHOO)(H)2	H(CHPP)	P(CHHN)(CHHP)(ONi)(O)	108.0845	0.076	2	108.0845	0.006	2	108.0845	0.006	2	108.3415	2.856	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:2:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:S-2:S-2:	C(CCCH)(PCSS)(H)2	H(CCHP)	P(CCHH)2(SBi)2	C(CCCH)(PCSS)(H)2	H(CCHP)	P(CCHH)2(SBi)2	108.0869	0.368	9	108.0869	0.135	9	108.0869	0.135	9	108.1611	0.116	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:2:2:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:Se-2:Se-2:	C(CC[6a]HH)(PSe2C)(H)2	H(CCHP)	P(CCHH)2(SeAu)2	C(CC[6a]HH)(PSe2C)(H)2	H(CCHP)	P(CCHH)2(SeAu)2	108.3280	0.220	4	108.3280	0.048	4	108.3280	0.048	4	108.1611	0.116	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	B-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(BC[6a]2C)(PCCH)(H)2	H(CBHP)	P(CBHH)(CC3)2(H)	C(BC[6a]2C)(PCCH)(H)2	H(CBHP)	P(CBHH)(CC3)2(H)	108.2092	0.361	4	108.2092	0.130	4	107.7235	0.645	6	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	B-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(BC[6a]3)(PCCH)(H)2	H(CBHP)	P(CBHH)(CC3)2(H)	C(BC[6a]3)(PCCH)(H)2	H(CBHP)	P(CBHH)(CC3)2(H)	106.7520	0.016	2	106.7520	0.000	2	107.7235	0.645	6	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(CCHH)(PCCH)(H)2	H(CCHP)	P(CCHH)(CC3)2(H)	C(CCHH)(PCCH)(H)2	H(CCHP)	P(CCHH)(CC3)2(H)	109.1820	0.018	2	109.1820	0.000	2	108.3299	0.273	21	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(CCHH)(PCCH)(H)2	H(CCHP)	P(CCHH)3(H)	C(CCHH)(PCCH)(H)2	H(CCHP)	P(CCHH)3(H)	108.1414	0.377	17	108.1414	0.142	17	108.3299	0.273	21	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(CHHP)(PCCH)(H)2	H(CCHP)	P(CCHH)3(H)	C(CHHP)(PCCH)(H)2	H(CCHP)	P(CCHH)3(H)	109.0795	0.006	2	109.0795	0.000	2	108.3299	0.273	21	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:I-1:	C(CHHP)(PCCI)(H)2	H(CCHP)	P(CCHH)(CC3)2(I)	C(CHHP)(PCCI)(H)2	H(CCHP)	P(CCHH)(CC3)2(I)	108.0295	0.023	2	108.0295	0.001	2	108.0295	0.001	2	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(CCHH)(PCCO)(H)2	H(CCHP)	P(CCHH)3(O)	C(CCHH)(PCCO)(H)2	H(CCHP)	P(CCHH)3(O)	108.2745	0.939	20	108.2745	0.883	20	108.4251	0.706	28	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(CC[6a]HH)(PCCO)(H)2	H(CCHP)	P(CCHH)2(CCHO)(O)	C(CC[6a]HH)(PCCO)(H)2	H(CCHP)	P(CCHH)2(CCHO)(O)	108.8980	0.483	3	108.8980	0.233	3	108.4251	0.706	28	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(CHHP)(PCCO)(H)2	H(CCHP)	P(CCCH)2(CCHH)(O)	C(CHHP)(PCCO)(H)2	H(CCHP)	P(CCCH)2(CCHH)(O)	108.9725	0.052	2	108.9725	0.003	2	108.4251	0.706	28	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(CHHP)(PCCO)(H)2	H(CCHP)	P(CCHH)(CH3)2(O)	C(CHHP)(PCCO)(H)2	H(CCHP)	P(CCHH)(CH3)2(O)	108.5250	0.000	1	108.5250	0.000	1	108.4251	0.706	28	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(CHHS)(PCCO)(H)2	H(CCHP)	P(CCHH)(CHHO)2(O)	C(CHHS)(PCCO)(H)2	H(CCHP)	P(CCHH)(CHHO)2(O)	108.6240	0.011	2	108.6240	0.000	2	108.4251	0.706	28	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(CCHO)(PCCS)(H)2	H(CCHP)	P(CCHH)(CC3)(CH3)(S)	C(CCHO)(PCCS)(H)2	H(CCHP)	P(CCHH)(CC3)(CH3)(S)	108.7715	0.073	4	108.7715	0.005	4	108.5640	0.219	5	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(CC[6a]2O)(PCCS)(H)2	H(CCHP)	P(CCHH)(CC3)(CH3)(S)	C(CC[6a]2O)(PCCS)(H)2	H(CCHP)	P(CCHH)(CC3)(CH3)(S)	107.7340	0.000	1	107.7340	0.000	1	108.5640	0.219	5	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(C[5]C[5]2Fe)(PCCS)(H)2	H(CC[5]HP)	P(CC[5]HH)(CHHO)2(S)	C(C[5]C[5]2Fe)(PCCS)(H)2	H(CC[5]HP)	P(CC[5]HH)(CHHO)2(S)	109.2550	0.048	2	109.2550	0.002	2	109.2550	0.002	2	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	C[6]-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(C[6]C[6,6a]C[6]C)(PCCO)(H)2	H(CC[6]HP)	P(CC[6]HH)(CC3)2(O)	C(C[6]C[6,6a]C[6]C)(PCCO)(H)2	H(CC[6]HP)	P(CC[6]HH)(CC3)2(O)	107.3280	0.042	2	107.3280	0.002	2	107.3280	0.002	2	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	B-4:C-4:C-4:H-1:	C(PBCH)(CH3)(H)2	H(CCHP)	P(BC[6a]2H)(CCHH)2(H)	C(PBCH)(CH3)(H)2	H(CCHP)	P(BC[6a]2H)(CCHH)2(H)	108.6266	0.417	8	108.6266	0.174	8	108.7684	0.121	16	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	B-4:C-4:C-4:H-1:	C(PBCH)(CH3)(H)2	H(CCHP)	P(BC[6a]3)(CCHH)2(H)	C(PBCH)(CH3)(H)2	H(CCHP)	P(BC[6a]3)(CCHH)2(H)	108.9102	0.198	8	108.9102	0.039	8	108.7684	0.121	16	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Br-1:	C(PBrCC)(CHHP)(H)2	H(CCHP)	P(CCCH)2(CCHH)(Br)	C(PBrCC)(CHHP)(H)2	H(CCHP)	P(CCCH)2(CCHH)(Br)	108.7190	0.017	2	108.7190	0.000	2	108.7190	0.000	2	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Ge-1:	C(PGeCC)(CHHP)(H)2	H(CCHP)	P(CCHH)(CH3)2(Ge)	C(PGeCC)(CHHP)(H)2	H(CCHP)	P(CCHH)(CH3)2(Ge)	109.4160	0.051	2	109.4160	0.003	2	109.4160	0.003	2	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)(H)2	H(CCHP)	P(CCHH)3(H)	C(PCCH)(CH3)(H)2	H(CCHP)	P(CCHH)3(H)	109.1677	0.081	3	109.1677	0.007	3	109.1677	0.007	3	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)(H)2	H(CCHP)	P(CC[6a]CC)(CCHH)2(O)	C(PCCO)(CH3)(H)2	H(CCHP)	P(CC[6a]CC)(CCHH)2(O)	108.1713	0.130	4	108.1713	0.017	4	108.6446	0.239	16	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)(H)2	H(CCHP)	P(CC[6a]CH)(CCHH)2(O)	C(PCCO)(CH3)(H)2	H(CCHP)	P(CC[6a]CH)(CCHH)2(O)	108.5542	0.579	4	108.5542	0.335	4	108.6446	0.239	16	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)(H)2	H(CCHP)	P(CC[6a]HH)(CCHH)2(O)	C(PCCO)(CH3)(H)2	H(CCHP)	P(CC[6a]HH)(CCHH)2(O)	108.9265	0.373	8	108.9265	0.139	8	108.6446	0.239	16	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(PCCS)(CH3)(H)2	H(CCHP)	P(CC[6a]HO)(CCHH)2(S)	C(PCCS)(CH3)(H)2	H(CCHP)	P(CC[6a]HO)(CCHH)2(S)	108.8420	0.070	4	108.8420	0.005	4	108.8420	0.005	4	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Se-1:	C(PSeCC)(CHHP)(H)2	H(CCHP)	P(CCCH)2(CCHH)(Se)	C(PSeCC)(CHHP)(H)2	H(CCHP)	P(CCCH)2(CCHH)(Se)	108.4507	0.305	6	108.4507	0.093	6	108.4507	0.093	6	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(PC[6]2H)(CHHP)(H)2	H(CCHP)	P(C[6]C[6]2H)2(CCHH)(H)	C(PC[6]2H)(CHHP)(H)2	H(CCHP)	P(C[6]C[6]2H)2(CCHH)(H)	108.9370	0.048	2	108.9370	0.002	2	108.9370	0.002	2	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:	C[6]-4:C[6]-4:C-4:O-1:	C(PC[6]2O)(CHHP)(H)2	H(CCHP)	P(C[6]C[6]2H)2(CCHH)(O)	C(PC[6]2O)(CHHP)(H)2	H(CCHP)	P(C[6]C[6]2H)2(CCHH)(O)	108.9745	0.015	2	108.9745	0.000	2	108.9745	0.000	2	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:N-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(NH3)(H)2	H(CHNP)	P(CHHN)(CH3)2(O)	C(PCCO)(NH3)(H)2	H(CHNP)	P(CHHN)(CH3)2(O)	108.6182	1.196	10	108.6182	1.431	10	108.6182	1.431	10	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Br-1:	C(PBrCC)2(H)2	H(CHPP)	P(CCCH)2(CHHP)(Br)	C(PBrCC)2(H)2	H(CHPP)	P(CCCH)2(CHHP)(Br)	106.5800	0.021	3	106.5800	0.000	3	106.5800	0.000	3	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)2(H)2	H(CHPP)	P(CHHP)(CC3)2(O)	C(PCCO)2(H)2	H(CHPP)	P(CHHP)(CC3)2(O)	105.6895	0.466	8	105.6895	0.217	8	106.8239	1.417	20	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)2(H)2	H(CHPP)	P(CHHP)(CH3)2(O)	C(PCCO)2(H)2	H(CHPP)	P(CHHP)(CH3)2(O)	107.6847	0.655	8	107.6847	0.429	8	106.8239	1.417	20	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PIrCC)(PCCO)(H)2	H(CHPP)	P(CHHP)(CH3)2(O)	C(PIrCC)(PCCO)(H)2	H(CHPP)	P(CHHP)(CH3)2(O)	107.5240	0.052	2	107.5240	0.003	2	106.8239	1.417	20	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PRuCC)(PCCO)(H)2	H(CHPP)	P(CHHP)(CH3)2(O)	C(PRuCC)(PCCO)(H)2	H(CHPP)	P(CHHP)(CH3)2(O)	107.2185	2.208	2	107.2185	4.877	2	106.8239	1.417	20	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:1:	P-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Se-1:	C(PSeCC)2(H)2	H(CHPP)	P(CCCH)2(CHHP)(Se)	C(PSeCC)2(H)2	H(CHPP)	P(CCCH)2(CHHP)(Se)	107.5205	0.069	2	107.5205	0.005	2	107.5205	0.005	2	108.2528	0.973	154	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(CCHH)(PCCO)(H)2	H(CCHP)	P(CCHH)3(OCa)	C(CCHH)(PCCO)(H)2	H(CCHP)	P(CCHH)3(OCa)	107.7667	0.777	28	107.7667	0.604	28	107.8633	0.698	30	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(CHHP)(PCCO)(H)2	H(CCHP)	P(CCHH)(CH3)2(OH)	C(CHHP)(PCCO)(H)2	H(CCHP)	P(CCHH)(CH3)2(OH)	109.2155	0.026	2	109.2155	0.001	2	107.8633	0.698	30	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:S-2:	C(CCCO)(PCCS)(H)2	H(CCHP)	P(CCHH)(CC3)2(SSn)	C(CCCO)(PCCS)(H)2	H(CCHP)	P(CCHH)(CC3)2(SSn)	107.1107	0.056	3	107.1107	0.003	3	107.1107	0.003	3	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)(H)2	H(CCHP)	P(CCHH)3(NB)	C(PCCN)(CH3)(H)2	H(CCHP)	P(CCHH)3(NB)	108.6793	0.381	12	108.6793	0.145	12	108.5833	0.139	24	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)(H)2	H(CCHP)	P(CCHH)3(NC)	C(PCCN)(CH3)(H)2	H(CCHP)	P(CCHH)3(NC)	108.4533	0.464	6	108.4533	0.216	6	108.5833	0.139	24	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)(H)2	H(CCHP)	P(CCHH)3(NP)	C(PCCN)(CH3)(H)2	H(CCHP)	P(CCHH)3(NP)	108.5215	0.238	6	108.5215	0.056	6	108.5833	0.139	24	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OAl)	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OAl)	108.5609	0.414	21	108.5609	0.171	21	108.6841	0.157	43	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OB)	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OB)	108.5704	0.383	10	108.5704	0.147	10	108.6841	0.157	43	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OMg)	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OMg)	108.9245	0.139	6	108.9245	0.019	6	108.6841	0.157	43	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OSi)	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OSi)	109.0647	0.135	6	109.0647	0.018	6	108.6841	0.157	43	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	P-4:N-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(NH3)(H)2	H(CHNP)	P(CHHN)(CH3)2(OCo)	C(PCCO)(NH3)(H)2	H(CHNP)	P(CHHN)(CH3)2(OCo)	109.3775	0.742	2	109.3775	0.550	2	109.2845	0.195	4	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	P-4:N-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-2:	C(PCCO)(NH3)(H)2	H(CHNP)	P(CHHN)(CH3)2(OMn)	C(PCCO)(NH3)(H)2	H(CHNP)	P(CHHN)(CH3)2(OMn)	109.1915	0.025	2	109.1915	0.001	2	109.2845	0.195	4	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:2:	P-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Se-2:	C(PSeCC)2(H)2	H(CHPP)	P(CCCH)2(CHHP)(SeI)	C(PSeCC)2(H)2	H(CHPP)	P(CCCH)2(CHHP)(SeI)	107.5680	0.033	2	107.5680	0.001	2	107.5680	0.001	2	108.3861	0.505	106	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:3:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-3:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)3(CCO)	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)3(CCO)	108.9006	0.203	5	108.9006	0.041	5	108.3353	0.907	24	108.4947	0.546	67	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:3:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-3:	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)3(CCC)	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)3(CCC)	108.9790	0.128	5	108.9790	0.016	5	108.3353	0.907	24	108.4947	0.546	67	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:3:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-3:	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)3(CCH)	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)3(CCH)	108.6364	0.139	9	108.6364	0.019	9	108.3353	0.907	24	108.4947	0.546	67	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:3:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-3:	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)3(CNiW)	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)3(CNiW)	106.5842	0.408	5	106.5842	0.166	5	108.3353	0.907	24	108.4947	0.546	67	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:3:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:P-3:	C(CHHP)(PCCP)(H)2	H(CCHP)	P(CCHH)(CH3)2(PNW)	C(CHHP)(PCCP)(H)2	H(CCHP)	P(CCHH)(CH3)2(PNW)	108.9370	0.037	2	108.9370	0.001	2	108.9370	0.001	2	108.4947	0.546	67	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:3:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:N-3:	C(PCCN)(CH3)(H)2	H(CCHP)	P(CCHH)3(NBC)	C(PCCN)(CH3)(H)2	H(CCHP)	P(CCHH)3(NBC)	108.0895	0.488	6	108.0895	0.239	6	108.1570	0.185	12	108.4947	0.546	67	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:3:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:N-3:	C(PCCN)(CH3)(H)2	H(CCHP)	P(CCHH)3(NYbC)	C(PCCN)(CH3)(H)2	H(CCHP)	P(CCHH)3(NYbC)	108.2245	0.398	6	108.2245	0.159	6	108.1570	0.185	12	108.4947	0.546	67	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:3:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-3:	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OLi2)	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OLi2)	108.6308	0.426	27	108.6308	0.181	27	108.6308	0.181	27	108.4947	0.546	67	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:3:	P-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:P-3:	C(PCCP)(PCCW)(H)2	H(CHPP)	P(CHHP)(CH3)2(PNW)	C(PCCP)(PCCW)(H)2	H(CHPP)	P(CHHP)(CH3)2(PNW)	110.1555	0.005	2	110.1555	0.000	2	110.1555	0.000	2	108.4947	0.546	67	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(CCHH)(PBCC)(H)2	H(CCHP)	P(BHHP)(CCHH)2(CC3)	C(CCHH)(PBCC)(H)2	H(CCHP)	P(BHHP)(CCHH)2(CC3)	104.6898	1.590	4	104.6898	2.529	4	106.7286	5.838	8	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(CHHP)(PBCC)(H)2	H(CCHP)	P(BBr3)(CCHH)3	C(CHHP)(PBCC)(H)2	H(CCHP)	P(BBr3)(CCHH)3	108.6900	0.013	2	108.6900	0.000	2	106.7286	5.838	8	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(CHHP)(PBCC)(H)2	H(CCHP)	P(BCl3)(CCHH)3	C(CHHP)(PBCC)(H)2	H(CCHP)	P(BCl3)(CCHH)3	108.8450	0.038	2	108.8450	0.001	2	106.7286	5.838	8	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:B-4:C-4:C-4:	C(CC[6a]2O)(PBCC)(H)2	H(CCHP)	P(CCHH)(BH3)(CC3)(CH3)	C(CC[6a]2O)(PBCC)(H)2	H(CCHP)	P(CCHH)(BH3)(CC3)(CH3)	107.7230	0.062	2	107.7230	0.004	2	108.6460	0.515	6	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:B-4:C-4:C-4:	C(CC[6a]HH)(PBCC)(H)2	H(CCHP)	P(CCHH)(BH3)(CC3)(CH3)	C(CC[6a]HH)(PBCC)(H)2	H(CCHP)	P(CCHH)(BH3)(CC3)(CH3)	109.1075	0.075	4	109.1075	0.006	4	108.6460	0.515	6	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:B-4:C-4:	C(CCHH)(PBCC)(H)2	H(CCHP)	P(CC[6a]HH)(CCHH)(BH3)(CC3)	C(CCHH)(PBCC)(H)2	H(CCHP)	P(CC[6a]HH)(CCHH)(BH3)(CC3)	108.8050	0.271	4	108.8050	0.073	4	108.3946	2.259	27	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:B-4:C-4:	C(CHHO)(PBCC)(H)2	H(CCHP)	P(CCHH)2(BH3)(CC3)	C(CHHO)(PBCC)(H)2	H(CCHP)	P(CCHH)2(BH3)(CC3)	108.3417	0.576	11	108.3417	0.331	11	108.3946	2.259	27	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:B-4:C-4:	C(CHHP)(PBCC)(H)2	H(CCHP)	P(CCHH)2(BH3)(CC3)	C(CHHP)(PBCC)(H)2	H(CCHP)	P(CCHH)2(BH3)(CC3)	108.3062	2.224	12	108.3062	4.945	12	108.3946	2.259	27	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(CCHH)(PBCC)(H)2	H(CCHP)	P(CSiCH)(CCHH)2(BH3)	C(CCHH)(PBCC)(H)2	H(CCHP)	P(CSiCH)(CCHH)2(BH3)	108.2573	0.265	3	108.2573	0.070	3	108.3284	1.186	13	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(CHHP)(PBCC)(H)2	H(CCHP)	P(CCHH)(CHHO)2(BH3)	C(CHHP)(PBCC)(H)2	H(CCHP)	P(CCHH)(CHHO)2(BH3)	107.1325	3.160	2	107.1325	9.986	2	108.3284	1.186	13	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(CHHP)(PBCC)(H)2	H(CCHP)	P(CCHH)3(BF3)	C(CHHP)(PBCC)(H)2	H(CCHP)	P(CCHH)3(BF3)	109.2280	0.000	1	109.2280	0.000	1	108.3284	1.186	13	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(CHHP)(PBCC)(H)2	H(CCHP)	P(CCHH)3(BI3)	C(CHHP)(PBCC)(H)2	H(CCHP)	P(CCHH)3(BI3)	108.5720	0.041	7	108.5720	0.002	7	108.3284	1.186	13	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCCH)(PC3)(H)2	H(CCHP)	P(CCHH)3(CH3)	C(CCCH)(PC3)(H)2	H(CCHP)	P(CCHH)3(CH3)	107.6855	0.028	2	107.6855	0.001	2	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCCO)(PC3)(H)2	H(CCHP)	P(CCHH)(CC3)2(CH3)	C(CCCO)(PC3)(H)2	H(CCHP)	P(CCHH)(CC3)2(CH3)	106.3534	1.350	5	106.3534	1.823	5	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)(CC3)3	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)(CC3)3	105.5650	2.126	4	105.5650	4.519	4	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	108.7420	0.198	4	108.7420	0.039	4	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)3(CFHH)	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)3(CFHH)	108.6157	0.304	6	108.6157	0.093	6	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)3(CH3)	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)3(CH3)	108.4517	0.382	20	108.4517	0.146	20	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)4	C(CCHH)(PC3)(H)2	H(CCHP)	P(CCHH)4	108.4359	0.474	108	108.4359	0.224	108	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CC[6a]CH)(CCHH)3	C(CCHH)(PC3)(H)2	H(CCHP)	P(CC[6a]CH)(CCHH)3	108.2679	0.505	30	108.2679	0.255	30	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CC[6a]C[5]H)(CCHH)3	C(CCHH)(PC3)(H)2	H(CCHP)	P(CC[6a]C[5]H)(CCHH)3	108.5420	0.189	5	108.5420	0.036	5	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CC[6a]HH)(CCHH)3	C(CCHH)(PC3)(H)2	H(CCHP)	P(CC[6a]HH)(CCHH)3	107.8779	0.708	21	107.8779	0.502	21	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CC[6a]HO)(CCHH)3	C(CCHH)(PC3)(H)2	H(CCHP)	P(CC[6a]HO)(CCHH)3	108.6273	0.312	6	108.6273	0.097	6	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	H(CCHP)	P(CPtCH)(CCHH)3	C(CCHH)(PC3)(H)2	H(CCHP)	P(CPtCH)(CCHH)3	108.6028	0.161	4	108.6028	0.026	4	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CC[5]HH)(PC3)(H)2	H(CCHP)	P(CCHH)4	C(CC[5]HH)(PC3)(H)2	H(CCHP)	P(CCHH)4	109.1832	0.129	5	109.1832	0.017	5	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	H(CCHP)	P(CCCO)(CCHH)3	C(CH3)(PC3)(H)2	H(CCHP)	P(CCCO)(CCHH)3	108.2200	0.560	27	108.2200	0.313	27	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	108.7105	0.281	4	108.7105	0.079	4	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)2(CH3)2	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)2(CH3)2	108.6750	0.068	2	108.6750	0.005	2	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)3(CH3)	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)3(CH3)	108.7226	0.071	8	108.7226	0.005	8	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)3(CHHO)	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)3(CHHO)	108.8738	0.153	4	108.8738	0.023	4	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)4	C(CH3)(PC3)(H)2	H(CCHP)	P(CCHH)4	108.7199	0.367	29	108.7199	0.134	29	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	H(CCHP)	P(CC[5]RuH)(CCHH)3	C(CH3)(PC3)(H)2	H(CCHP)	P(CC[5]RuH)(CCHH)3	107.9497	1.109	6	107.9497	1.231	6	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CHHN)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	C(CHHN)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	108.7182	0.158	4	108.7182	0.025	4	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CHHO)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	C(CHHO)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	107.9485	0.563	4	107.9485	0.317	4	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CHHO)(PC3)(H)2	H(CCHP)	P(CCHH)4	C(CHHO)(PC3)(H)2	H(CCHP)	P(CCHH)4	107.8798	1.923	4	107.8798	3.700	4	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CHHP)(PC3)(H)2	H(CCHP)	P(CCHH)(CHHO)3	C(CHHP)(PC3)(H)2	H(CCHP)	P(CCHH)(CHHO)3	109.0685	0.008	2	109.0685	0.000	2	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CHHP)(PC3)(H)2	H(CCHP)	P(CCHH)3(CH3)	C(CHHP)(PC3)(H)2	H(CCHP)	P(CCHH)3(CH3)	108.9090	0.414	4	108.9090	0.171	4	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CHHP)(PC3)(H)2	H(CCHP)	P(CC[6a]NiH)(CCHH)(CC3)2	C(CHHP)(PC3)(H)2	H(CCHP)	P(CC[6a]NiH)(CCHH)(CC3)2	107.6790	0.000	1	107.6790	0.000	1	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(COPP)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	C(COPP)(PC3)(H)2	H(CCHP)	P(CCHH)(CH3)3	102.9225	2.808	2	102.9225	7.884	2	108.3175	0.751	321	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C[6]-4:C-4:B-4:C-4:	C(CC[6a]HH)(PC[6]BC)(H)2	H(CCHP)	P(C[6]C[6]2H)(CCHH)(BH3)(CH3)	C(CC[6a]HH)(PC[6]BC)(H)2	H(CCHP)	P(C[6]C[6]2H)(CCHH)(BH3)(CH3)	109.0265	0.025	2	109.0265	0.001	2	109.0265	0.001	2	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:	C[6]-4:C[6]-4:C-4:B-4:	C(CN[4]HH)(PC[6]2B)(H)2	H(CCHP)	P(C[6]C[6]2H)2(CCHH)(BH3)	C(CN[4]HH)(PC[6]2B)(H)2	H(CCHP)	P(C[6]C[6]2H)2(CCHH)(BH3)	108.9510	0.075	4	108.9510	0.006	4	108.9510	0.006	4	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C[5,6]-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[5,6]C[5,5,6]C[5,6]H)(PC3)(H)2	H(CC[5,6]HP)	P(CC[5,6]HH)(CHHO)3	C(C[5,6]C[5,5,6]C[5,6]H)(PC3)(H)2	H(CC[5,6]HP)	P(CC[5,6]HH)(CHHO)3	108.2125	0.036	2	108.2125	0.001	2	108.2125	0.001	2	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	C[5]-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(C[5]C[5]2H)(PC3)(H)2	H(CC[5]HP)	P(CC[5]HH)(CC3)3	C(C[5]C[5]2H)(PC3)(H)2	H(CC[5]HP)	P(CC[5]HH)(CC3)3	106.4605	0.022	2	106.4605	0.000	2	106.4605	0.000	2	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	H(CCHP)	P(BBr3)(CCHH)3	C(PBCC)(CH3)(H)2	H(CCHP)	P(BBr3)(CCHH)3	108.3822	0.199	4	108.3822	0.040	4	107.4880	2.543	42	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	H(CCHP)	P(BC[6a]3)(CCHH)3	C(PBCC)(CH3)(H)2	H(CCHP)	P(BC[6a]3)(CCHH)3	106.8045	1.894	23	106.8045	3.586	23	107.4880	2.543	42	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	H(CCHP)	P(BC[6a]ClB)(CCHH)3	C(PBCC)(CH3)(H)2	H(CCHP)	P(BC[6a]ClB)(CCHH)3	108.4730	0.106	6	108.4730	0.011	6	107.4880	2.543	42	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	H(CCHP)	P(BCl3)(CCHH)3	C(PBCC)(CH3)(H)2	H(CCHP)	P(BCl3)(CCHH)3	108.5110	0.018	3	108.5110	0.000	3	107.4880	2.543	42	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	H(CCHP)	P(BClBC)(CCHH)3	C(PBCC)(CH3)(H)2	H(CCHP)	P(BClBC)(CCHH)3	108.0157	0.354	6	108.0157	0.125	6	107.4880	2.543	42	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	B[3]-4:C-4:C-4:C-4:	C(PB[3]CC)(CH3)(H)2	H(CCHP)	P(B[3]C[6a]B[3]I[3])(CCHH)3	C(PB[3]CC)(CH3)(H)2	H(CCHP)	P(B[3]C[6a]B[3]I[3])(CCHH)3	108.2913	0.392	6	108.2913	0.154	6	108.2913	0.154	6	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	B[5a]-4:C-4:C-4:C-4:	C(PB[5a]CC)(CH3)(H)2	H(CCHP)	P(B[5a]O[5a]2Cl)(CCHH)3	C(PB[5a]CC)(CH3)(H)2	H(CCHP)	P(B[5a]O[5a]2Cl)(CCHH)3	106.5075	0.718	6	106.5075	0.515	6	106.5075	0.515	6	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(PBCC)(CH3)(H)2	H(CCHP)	P(CCHH)3(BF3)	C(PBCC)(CH3)(H)2	H(CCHP)	P(CCHH)3(BF3)	106.9195	2.547	10	106.9195	6.487	10	107.7045	3.023	24	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(PBCC)(CH3)(H)2	H(CCHP)	P(CCHH)3(BI3)	C(PBCC)(CH3)(H)2	H(CCHP)	P(CCHH)3(BI3)	108.2653	0.211	14	108.2653	0.044	14	107.7045	3.023	24	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Ga-4:	C(PGaCC)(CH3)(H)2	H(CCHP)	P(CCHH)3(GaI3)	C(PGaCC)(CH3)(H)2	H(CCHP)	P(CCHH)3(GaI3)	108.5110	0.108	3	108.5110	0.012	3	108.7676	0.129	5	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:Ga-4:	C(PGaCC)(CHHP)(H)2	H(CCHP)	P(CCHH)3(GaI3)	C(PGaCC)(CHHP)(H)2	H(CCHP)	P(CCHH)3(GaI3)	109.1525	0.023	2	109.1525	0.001	2	108.7676	0.129	5	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:O-4:	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OLi3)	C(PCCO)(CH3)(H)2	H(CCHP)	P(CCHH)3(OLi3)	108.7212	0.341	9	108.7212	0.117	9	108.7212	0.117	9	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:P-4:	C(PCCP)(CH3)(H)2	H(CCHP)	P(CCHH)3(PC3)	C(PCCP)(CH3)(H)2	H(CCHP)	P(CCHH)3(PC3)	105.2404	2.808	12	105.2404	7.882	12	107.2877	5.676	31	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:P-4:	C(PCCP)(CH3)(H)2	H(CCHP)	P(CCHH)3(PCCN)	C(PCCP)(CH3)(H)2	H(CCHP)	P(CCHH)3(PCCN)	108.6412	0.295	13	108.6412	0.087	13	107.2877	5.676	31	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C-4:C-4:C-4:P-4:	C(PCCP)(CH3)(H)2	H(CCHP)	P(CCHH)3(PNOO)	C(PCCP)(CH3)(H)2	H(CCHP)	P(CCHH)3(PNOO)	108.4498	0.254	6	108.4498	0.064	6	107.2877	5.676	31	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[4]-4:C-4:C-4:C-4:	C(PC[4]CC)(CCHH)(H)2	H(CCHP)	P(C[4]C[6a]C[4]2)(CCHH)3	C(PC[4]CC)(CCHH)(H)2	H(CCHP)	P(C[4]C[6a]C[4]2)(CCHH)3	108.6433	0.346	6	108.6433	0.120	6	108.6433	0.120	6	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(CCHH)(H)2	H(CCHP)	P(C[5]C[5]2Fe)(CCHH)3	C(PC[5]CC)(CCHH)(H)2	H(CCHP)	P(C[5]C[5]2Fe)(CCHH)3	108.4437	0.273	6	108.4437	0.075	6	108.4437	0.075	6	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6]-4:C-4:C-4:B-4:	C(PC[6]BC)(CCHN)(H)2	H(CCHP)	P(C[6]C[6]2H)(CCHH)2(BH3)	C(PC[6]BC)(CCHN)(H)2	H(CCHP)	P(C[6]C[6]2H)(CCHH)2(BH3)	107.1340	0.486	4	107.1340	0.237	4	107.1340	0.237	4	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6]-4:C[6]-4:B-4:C-4:	C(PC[6]2B)(CHHP)(H)2	H(CCHP)	P(C[6]C[6]2H)2(BBr2H)(CCHH)	C(PC[6]2B)(CHHP)(H)2	H(CCHP)	P(C[6]C[6]2H)2(BBr2H)(CCHH)	108.2470	0.037	2	108.2470	0.001	2	108.2470	0.001	2	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6]-4:C[6]-4:C-4:B-4:	C(PC[6]2B)(CHHN)(H)2	H(CCHP)	P(C[6]C[6]2H)2(CCHH)(BH3)	C(PC[6]2B)(CHHN)(H)2	H(CCHP)	P(C[6]C[6]2H)2(CCHH)(BH3)	108.3410	0.296	6	108.3410	0.087	6	108.3410	0.087	6	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	C[6]-4:C[6]-4:C[6]-4:C-4:	C(PC[6]3)(CCHH)(H)2	H(CCHP)	P(C[6]C[6]2H)3(CCHH)	C(PC[6]3)(CCHH)(H)2	H(CCHP)	P(C[6]C[6]2H)3(CCHH)	107.8744	0.520	5	107.8744	0.271	5	107.8744	0.271	5	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CH3)(H)2	H(CCHP)	P(GaBr2Ga)(CCHH)3	C(PGaCC)(CH3)(H)2	H(CCHP)	P(GaBr2Ga)(CCHH)3	108.8866	0.057	5	108.8866	0.003	5	107.4914	2.917	24	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CH3)(H)2	H(CCHP)	P(GaBr3)(CCHH)3	C(PGaCC)(CH3)(H)2	H(CCHP)	P(GaBr3)(CCHH)3	108.6587	0.044	4	108.6587	0.002	4	107.4914	2.917	24	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CH3)(H)2	H(CCHP)	P(GaCl2Ga)(CCHH)3	C(PGaCC)(CH3)(H)2	H(CCHP)	P(GaCl2Ga)(CCHH)3	105.6625	0.868	6	105.6625	0.753	6	107.4914	2.917	24	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CH3)(H)2	H(CCHP)	P(GaCl3)(CCHH)3	C(PGaCC)(CH3)(H)2	H(CCHP)	P(GaCl3)(CCHH)3	106.5423	1.680	6	106.5423	2.823	6	107.4914	2.917	24	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CHHN)(H)2	H(CCHP)	P(GaCl2N)(CCCH)2(CCHH)	C(PGaCC)(CHHN)(H)2	H(CCHP)	P(GaCl2N)(CCCH)2(CCHH)	109.4580	0.000	1	109.4580	0.000	1	107.4914	2.917	24	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CHHP)(H)2	H(CCHP)	P(GaBr3)(CCHH)3	C(PGaCC)(CHHP)(H)2	H(CCHP)	P(GaBr3)(CCHH)3	109.0195	0.030	2	109.0195	0.001	2	107.4914	2.917	24	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:P-4:H-1:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(PC3)2(H)2	H(CHPP)	P(CHHP)(CH3)3	C(PC3)2(H)2	H(CHPP)	P(CHHP)(CH3)3	106.7660	0.039	4	106.7660	0.002	4	106.7660	0.002	4	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(SiC3)(H)2	H(CSiHP)	P(CSiHH)(BH3)(CC3)(CH3)	C(PBCC)(SiC3)(H)2	H(CSiHP)	P(CSiHH)(BH3)(CC3)(CH3)	107.3634	0.230	5	107.3634	0.053	5	107.1474	0.171	7	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	4:4:4:4:	P-4:Si-4:H-1:H-1:	C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(SiC3)(H)2	H(CSiHP)	P(CSiHH)(BH3)(CH3)2	C(PBCC)(SiC3)(H)2	H(CSiHP)	P(CSiHH)(BH3)(CH3)2	106.6075	0.006	2	106.6075	0.000	2	107.1474	0.171	7	108.0840	1.597	572	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	6:3:3:4:	P-4:N-4:H-1:H-1:	C-4:	B[3x3,5,5,4x6]-6:C[6a]-3:C[6a]-3:C-4:	C(PB[3x3,5,5,4x6]C[6a]2)(NFeCC)(H)2	H(CHNP)	P(B[3x3,5,5,4x6]B[3,3,5,3x6]2B[5x3,5,5,6]2Fe)(C[6a]C[6a]2)2(CHHN)	C(PB[3x3,5,5,4x6]C[6a]2)(NFeCC)(H)2	H(CHNP)	P(B[3x3,5,5,4x6]B[3,3,5,3x6]2B[5x3,5,5,6]2Fe)(C[6a]C[6a]2)2(CHHN)	109.2855	0.013	2	109.2855	0.000	2	109.2855	0.000	2	109.7440	0.281	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	6:3:3:4:	P-4:P-4:H-1:H-1:	C-4:	B[3x3,5,5,4x6]-6:C[6a]-3:C[6a]-3:C-4:	C(PB[3x3,5,5,4x6]C[6a]2)(PC[6a]2Fe)(H)2	H(CHPP)	P(B[3x3,5,5,4x6]B[3,3,5,3x6]2B[5x3,5,5,6]2Fe)(C[6a]C[6a]2)2(CHHP)	C(PB[3x3,5,5,4x6]C[6a]2)(PC[6a]2Fe)(H)2	H(CHPP)	P(B[3x3,5,5,4x6]B[3,3,5,3x6]2B[5x3,5,5,6]2Fe)(C[6a]C[6a]2)2(CHHP)	110.2025	0.039	2	110.2025	0.002	2	110.2025	0.002	2	109.7440	0.281	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	7:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	Nb[5]-7:C-4:C-4:C-4:	C(PNb[5]CC)(CH3)(H)2	H(CCHP)	P(Nb[5]P[5]2Cl3O)(CCHH)3	C(PNb[5]CC)(CH3)(H)2	H(CCHP)	P(Nb[5]P[5]2Cl3O)(CCHH)3	108.5690	0.366	3	108.5690	0.134	3	108.6827	0.181	7	108.6827	0.181	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	7:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	Nb[5]-7:C-4:C-4:C-4:	C(PNb[5]CC)(CHHP)(H)2	H(CCHP)	P(Nb[5]P[5]2Cl3O)(CCHH)(CH3)2	C(PNb[5]CC)(CHHP)(H)2	H(CCHP)	P(Nb[5]P[5]2Cl3O)(CCHH)(CH3)2	108.3345	0.016	2	108.3345	0.000	2	108.6827	0.181	7	108.6827	0.181	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:1:1:	4:	7:4:4:4:	P-4:C-4:H-1:H-1:	C-4:	Nb[5]-7:C-4:C-4:C-4:	C(PNb[5]CC)(CHHP)(H)2	H(CCHP)	P(Nb[5]P[5]2Cl3O)(CCHH)3	C(PNb[5]CC)(CHHP)(H)2	H(CCHP)	P(Nb[5]P[5]2Cl3O)(CCHH)3	109.2015	0.028	2	109.2015	0.001	2	108.6827	0.181	7	108.6827	0.181	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	3:3:4:1:	C[3x6]-4:P-4:O-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	H(CC[3x6]OP)	P(C[6a]C[6a]2)2(CC[3x6]HO)(O)	C(C[3x6]C[4x6]2O)(PC[6a]2O)(OC)(H)	H(CC[3x6]OP)	P(C[6a]C[6a]2)2(CC[3x6]HO)(O)	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	107.4753	3.511	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	3:3:4:1:	C[5]-4:P-4:O-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[5]C[5]N[5]H)(PC[6a]2O)(OH)(H)	H(CC[5]OP)	P(C[6a]C[6a]2)2(CC[5]HO)(O)	C(C[5]C[5]N[5]H)(PC[6a]2O)(OH)(H)	H(CC[5]OP)	P(C[6a]C[6a]2)2(CC[5]HO)(O)	108.2530	0.000	1	108.2530	0.000	1	108.2530	0.000	1	107.4753	3.511	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	3:3:4:1:	P-4:C-4:O-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(OH)(H)	H(CCOP)	P(C[6a]C[6a]2)2(CCHO)(O)	C(PC[6a]2O)(CCHH)(OH)(H)	H(CCOP)	P(C[6a]C[6a]2)2(CCHO)(O)	106.1920	0.000	1	106.1920	0.000	1	106.1920	0.000	1	107.4753	3.511	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	3:3:4:1:	P-4:P-4:S-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)2(SNi)(H)	H(CPPS)	P(C[6a]C[6a]2)2(CHPS)(S)	C(PC[6a]2S)2(SNi)(H)	H(CPPS)	P(C[6a]C[6a]2)2(CHPS)(S)	105.7090	0.000	1	105.7090	0.000	1	105.7090	0.000	1	107.4753	3.511	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	3:3:4:2:	P-4:P-4:S-2:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-2:	C(PC[6a]2S)2(SNi)(H)	H(CPPS)	P(C[6a]C[6a]2)2(CHPS)(SNi)	C(PC[6a]2S)2(SNi)(H)	H(CPPS)	P(C[6a]C[6a]2)2(CHPS)(SNi)	107.7057	1.732	3	107.7057	2.999	3	107.7057	2.999	3	107.7057	2.999	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	3:4:2:1:	P-4:C-4:O-2:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(CCCH)(OH)(H)	H(CCOP)	P(C[6a]C[6a]2)(CCHO)(OC)(O)	C(PC[6a]OO)(CCCH)(OH)(H)	H(CCOP)	P(C[6a]C[6a]2)(CCHO)(OC)(O)	107.4770	0.000	1	107.4770	0.000	1	108.4915	2.058	2	108.4915	2.058	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	3:4:2:1:	P-4:C-4:O-2:H-1:	C-4:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(CCHH)(OP)(H)	H(CCOP)	P(C[6a]C[6a]2)(CCHO)(OC)(O)	C(PC[6a]OO)(CCHH)(OP)(H)	H(CCOP)	P(C[6a]C[6a]2)(CCHO)(OC)(O)	109.5060	0.000	1	109.5060	0.000	1	108.4915	2.058	2	108.4915	2.058	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:1:1:	C-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CH3)(PO3)(OC)(H)	H(CCOP)	P(CCHO)(OC)(O)2	C(CH3)(PO3)(OC)(H)	H(CCOP)	P(CCHO)(OC)(O)2	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C-4:P-4:N-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CCl3)(PO3)(NC)(H)	H(CCNP)	P(CCHN)(OC)2(O)	C(CCl3)(PO3)(NC)(H)	H(CCNP)	P(CCHN)(OC)2(O)	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CCHN)(PO3)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	C(CCHN)(PO3)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	108.2200	0.000	1	108.2200	0.000	1	108.0092	1.916	9	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CCHO)(PO3)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	C(CCHO)(PO3)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	107.3433	2.134	3	107.3433	4.552	3	108.0092	1.916	9	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CCHS)(PO3)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	C(CCHS)(PO3)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	109.7610	0.000	1	109.7610	0.000	1	108.0092	1.916	9	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[6a]CH)(PO3)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	C(CC[6a]CH)(PO3)(OH)(H)	H(CCOP)	P(CCHO)(OC)2(O)	108.1580	0.000	1	108.1580	0.000	1	108.0092	1.916	9	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[6a]HO)(PO3)(OC)(H)	H(CCOP)	P(CCHO)(OC)2(O)	C(CC[6a]HO)(PO3)(OC)(H)	H(CCOP)	P(CCHO)(OC)2(O)	107.4335	0.125	2	107.4335	0.016	2	108.0092	1.916	9	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)(OC)(H)	H(CCOP)	P(CCHO)(OC)2(O)	C(CH3)(PO3)(OC)(H)	H(CCOP)	P(CCHO)(OC)2(O)	109.0470	0.000	1	109.0470	0.000	1	108.0092	1.916	9	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C[3]-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[3]C[3,6]C[3]H)(PO3)(OH)(H)	H(CC[3]OP)	P(CC[3]HO)(OC)2(O)	C(C[3]C[3,6]C[3]H)(PO3)(OH)(H)	H(CC[3]OP)	P(CC[3]HO)(OC)2(O)	109.4740	0.000	1	109.4740	0.000	1	108.1603	3.433	3	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C[3]-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[3]C[3]N[3]H)(PO3)(OH)(H)	H(CC[3]OP)	P(CC[3]HO)(OC)2(O)	C(C[3]C[3]N[3]H)(PO3)(OH)(H)	H(CC[3]OP)	P(CC[3]HO)(OC)2(O)	108.9660	0.000	1	108.9660	0.000	1	108.1603	3.433	3	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C[3]-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[3]C[3]O[3]H)(PO3)(OC)(H)	H(CC[3]OP)	P(CC[3]HO)(OC)2(O)	C(C[3]C[3]O[3]H)(PO3)(OC)(H)	H(CC[3]OP)	P(CC[3]HO)(OC)2(O)	106.0410	0.000	1	106.0410	0.000	1	108.1603	3.433	3	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:2:2:1:	C[6]-4:P-4:O-2:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	H(CC[6]OP)	P(CC[6]HO)(OC)2(O)	C(C[6]C[6,6a]C[6]H)(PO3)(OH)(H)	H(CC[6]OP)	P(CC[6]HO)(OC)2(O)	107.1670	0.000	1	107.1670	0.000	1	107.1670	0.000	1	107.9005	1.853	14	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:4:4:1:	C-4:P-4:O-2:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(CHHS)(PCCO)(OH)(H)	H(CCOP)	P(CCHH)2(CCHO)(O)	C(CHHS)(PCCO)(OH)(H)	H(CCOP)	P(CCHH)2(CCHO)(O)	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.3750	0.256	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:2:1:	4:	4:4:4:1:	P-4:C-4:O-2:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)(OC)(H)	H(CCOP)	P(CCHO)(CC3)2(H)	C(PCCH)(CH3)(OC)(H)	H(CCOP)	P(CCHO)(CC3)2(H)	108.0170	0.000	1	108.0170	0.000	1	108.0170	0.000	1	108.3750	0.256	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	2:2:4:1:	C-4:P-4:N-3:H-1:	C-4:	O-2:O-2:C-4:O-1:	C(CC3)(PO3)(NCH)(H)	H(CCNP)	P(OC[6a])2(CCHN)(O)	C(CC3)(PO3)(NCH)(H)	H(CCNP)	P(OC[6a])2(CCHN)(O)	107.0740	0.000	1	107.0740	0.000	1	106.5985	7.292	4	106.5985	7.292	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	2:2:4:1:	C-4:P-4:N-3:H-1:	C-4:	O-2:O-2:C-4:O-1:	C(CCCH)(PO3)(NCH)(H)	H(CCNP)	P(OC[6a])2(CCHN)(O)	C(CCCH)(PO3)(NCH)(H)	H(CCNP)	P(OC[6a])2(CCHN)(O)	102.7340	0.000	1	102.7340	0.000	1	106.5985	7.292	4	106.5985	7.292	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	2:2:4:1:	C-4:P-4:N-3:H-1:	C-4:	O-2:O-2:C-4:O-1:	C(CCHH)(PO3)(NCH)(H)	H(CCNP)	P(OC[6a])2(CCHN)(O)	C(CCHH)(PO3)(NCH)(H)	H(CCNP)	P(OC[6a])2(CCHN)(O)	107.5960	0.000	1	107.5960	0.000	1	106.5985	7.292	4	106.5985	7.292	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	2:2:4:1:	C-4:P-4:N-3:H-1:	C-4:	O-2:O-2:C-4:O-1:	C(CH3)(PO3)(NCH)(H)	H(CCNP)	P(OC[6a])2(CCHN)(O)	C(CH3)(PO3)(NCH)(H)	H(CCNP)	P(OC[6a])2(CCHN)(O)	108.9900	0.000	1	108.9900	0.000	1	106.5985	7.292	4	106.5985	7.292	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:3:4:	P-4:C-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCCH)(COO)(H)	H(CCCP)	P(C[6a]C[6a]2)3(CCCH)	C(PC[6a]3)(CCCH)(COO)(H)	H(CCCP)	P(C[6a]C[6a]2)3(CCCH)	108.8090	0.000	1	108.8090	0.000	1	108.8090	0.000	1	107.1586	1.340	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:3:4:	P-4:P-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)2(CCO)(H)	H(CCPP)	P(C[6a]C[6a]2)2(NSiZn)(CCHP)	C(PC[6a]2N)2(CCO)(H)	H(CCPP)	P(C[6a]C[6a]2)2(NSiZn)(CCHP)	107.4450	0.028	2	107.4450	0.001	2	106.7460	0.652	4	107.1586	1.340	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:3:4:	P-4:P-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)2(CNN)(H)	H(CCPP)	P(C[6a]C[6a]2)2(NSiZn)(CCHP)	C(PC[6a]2N)2(CNN)(H)	H(CCPP)	P(C[6a]C[6a]2)2(NSiZn)(CCHP)	106.0470	0.021	2	106.0470	0.000	2	106.7460	0.652	4	107.1586	1.340	5	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCCH)(CCH)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCCH)(CCH)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	110.4330	0.000	1	110.4330	0.000	1	109.1297	0.471	6	108.6738	1.338	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(CCH)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCHH)(CCH)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	109.2840	0.000	1	109.2840	0.000	1	109.1297	0.471	6	108.6738	1.338	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(CNO)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCHH)(CNO)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	108.8740	0.000	1	108.8740	0.000	1	109.1297	0.471	6	108.6738	1.338	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	108.8440	0.085	2	108.8440	0.007	2	109.1297	0.471	6	108.6738	1.338	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CH3)(CCO)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CH3)(CCO)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	108.4990	0.000	1	108.4990	0.000	1	109.1297	0.471	6	108.6738	1.338	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:4:1:	P-4:P-4:N-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)2(NCC)(H)	H(CNPP)	P(C[6a]C[6a]2)2(CHNP)(O)	C(PC[6a]2O)2(NCC)(H)	H(CNPP)	P(C[6a]C[6a]2)2(CHNP)(O)	106.7090	0.013	2	106.7090	0.000	2	107.9900	2.190	4	108.6738	1.338	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:4:1:	P-4:P-4:N-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)2(NC[6a]H)(H)	H(CNPP)	P(C[6a]C[6a]2)2(CHNP)(O)	C(PC[6a]2O)2(NC[6a]H)(H)	H(CNPP)	P(C[6a]C[6a]2)2(CHNP)(O)	109.2710	0.068	2	109.2710	0.005	2	107.9900	2.190	4	108.6738	1.338	10	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:4:2:	P-4:P-4:N-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)2(NCC)(H)	H(CNPP)	P(C[6a]C[6a]2)2(CHNP)(OMn)	C(PC[6a]2O)2(NCC)(H)	H(CNPP)	P(C[6a]C[6a]2)2(CHNP)(OMn)	107.3358	0.246	16	107.3358	0.061	16	107.3358	0.061	16	107.2188	0.169	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:3:4:2:	P-4:P-4:S-3:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-2:	C(PC[6a]2S)2(SLi2)(H)	H(CPPS)	P(C[6a]C[6a]2)2(CHPS)(SLi)	C(PC[6a]2S)2(SLi2)(H)	H(CPPS)	P(C[6a]C[6a]2)2(CHPS)(SLi)	106.2830	0.027	2	106.2830	0.001	2	106.2830	0.001	2	107.2188	0.169	18	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:4:2:1:	P-4:C-4:N-3:H-1:	C-4:	C[6]-3:C-4:O-2:O-1:	C(PC[6]OO)(CCHH)(NHS)(H)	H(CCNP)	P(C[6]C[6]2)(CCHN)(OC)(O)	C(PC[6]OO)(CCHH)(NHS)(H)	H(CCNP)	P(C[6]C[6]2)(CCHN)(OC)(O)	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	107.9950	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	3:4:4:1:	P-4:C-4:C-3:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)(CCH)(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)(CC3)(O)	C(PC[6a]CO)(CH3)(CCH)(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)(CC3)(O)	105.6010	0.000	1	105.6010	0.000	1	105.6010	0.000	1	105.6010	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	4:1:1:1:	P-4:C-4:N-3:H-1:	C-4:	C-4:H-1:O-1:O-1:	C(PHOO)(CH3)(NCC)(H)	H(CCNP)	P(CCHN)(H)(O)2	C(PHOO)(CH3)(NCC)(H)	H(CCNP)	P(CCHN)(H)(O)2	105.9315	0.200	2	105.9315	0.040	2	105.9315	0.040	2	105.9315	0.040	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	4:2:2:1:	C-4:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC3)(PO3)(NCO)(H)	H(CCNP)	P(CCHN)(OC)2(O)	C(CC3)(PO3)(NCO)(H)	H(CCNP)	P(CCHN)(OC)2(O)	105.7548	1.227	16	105.7548	1.505	16	105.8950	1.745	17	106.2696	2.386	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	4:2:2:1:	C-4:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)(NCH)(H)	H(CCNP)	P(CCHN)(OC)2(O)	C(CH3)(PO3)(NCH)(H)	H(CCNP)	P(CCHN)(OC)2(O)	108.1380	0.000	1	108.1380	0.000	1	105.8950	1.745	17	106.2696	2.386	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	4:2:2:1:	C[3]-4:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[3]C[3]N[3]H)(PO3)(NHS)(H)	H(CC[3]NP)	P(CC[3]HN)(OC)2(O)	C(C[3]C[3]N[3]H)(PO3)(NHS)(H)	H(CC[3]NP)	P(CC[3]HN)(OC)2(O)	109.2995	0.235	2	109.2995	0.055	2	109.2995	0.055	2	106.2696	2.386	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	4:2:2:1:	C[5]-4:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(C[5]C[5]N[5]H)(PO3)(NHS)(H)	H(CC[5]NP)	P(CC[5]HN)(OC)2(O)	C(C[5]C[5]N[5]H)(PO3)(NHS)(H)	H(CC[5]NP)	P(CC[5]HN)(OC)2(O)	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	106.2696	2.386	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	4:2:2:1:	P-4:P-4:C-3:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(PO3)2(CNO)(H)	H(CCPP)	P(CCHP)(OC)2(O)	C(PO3)2(CNO)(H)	H(CCPP)	P(CCHP)(OC)2(O)	105.8990	0.006	2	105.8990	0.000	2	105.8990	0.000	2	106.2696	2.386	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	4:2:2:2:	C-4:P-4:N-3:H-1:	C-4:	C-4:O-2:O-2:O-2:	C(CC3)(PO3)(NCO)(H)	H(CCNP)	P(CCHN)(OZn)(OC)2	C(CC3)(PO3)(NCO)(H)	H(CCNP)	P(CCHN)(OZn)(OC)2	105.6660	0.089	2	105.6660	0.008	2	105.6660	0.008	2	105.6660	0.008	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	4:4:2:1:	C-4:P-4:N-3:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(CCHH)(PCOO)(NCH)(H)	H(CCNP)	P(CCHN)(CHHO)(OC)(O)	C(CCHH)(PCOO)(NCH)(H)	H(CCNP)	P(CCHN)(CHHO)(OC)(O)	108.3210	0.000	1	108.3210	0.000	1	107.6035	1.030	2	107.6035	1.030	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:3:1:	4:	4:4:2:1:	C-4:P-4:N-3:H-1:	C-4:	C-4:C-4:O-2:O-1:	C(CC[6a]HH)(PCOO)(NHS)(H)	H(CCNP)	P(CCHH)(CCHN)(OC)(O)	C(CC[6a]HH)(PCOO)(NHS)(H)	H(CCNP)	P(CCHH)(CCHN)(OC)(O)	106.8860	0.000	1	106.8860	0.000	1	107.6035	1.030	2	107.6035	1.030	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	2:2:4:1:	C-4:P-4:C-4:H-1:	C-4:	O-2:O-2:C-4:Se-1:	C(CC[6a]CH)(PSeOO)(CH3)(H)	H(CCCP)	P(OC[6a])2(CCCH)(Se)	C(CC[6a]CH)(PSeOO)(CH3)(H)	H(CCCP)	P(OC[6a])2(CCCH)(Se)	105.8040	0.000	1	105.8040	0.000	1	107.0490	3.100	2	107.4583	2.053	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	2:2:4:1:	C-4:P-4:C-4:H-1:	C-4:	O-2:O-2:C-4:Se-1:	C(CC[6a]HH)(PSeOO)(CH3)(H)	H(CCCP)	P(OC[6a])2(CCCH)(Se)	C(CC[6a]HH)(PSeOO)(CH3)(H)	H(CCCP)	P(OC[6a])2(CCCH)(Se)	108.2940	0.000	1	108.2940	0.000	1	107.0490	3.100	2	107.4583	2.053	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	2:2:4:1:	P-4:C-4:C-4:H-1:	C-4:	O-2:O-2:C-4:Se-1:	C(PSeOO)(CCHH)(CH3)(H)	H(CCCP)	P(OC[6a])2(CCCH)(Se)	C(PSeOO)(CCHH)(CH3)(H)	H(CCCP)	P(OC[6a])2(CCCH)(Se)	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	107.4583	2.053	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	2:2:4:3:	P-4:C-4:C-4:H-1:	C-4:	N-2:N-2:C-4:C-3:	C(PCNN)(CH3)2(H)	H(CCCP)	P(NC[5])2(CCCH)(COO)	C(PCNN)(CH3)2(H)	H(CCCP)	P(NC[5])2(CCCH)(COO)	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	2:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	N-2:C-4:C-4:S-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6])(CCCH)2(SFe)	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6])(CCCH)2(SFe)	107.7835	0.302	2	107.7835	0.091	2	107.7835	0.091	2	107.7835	0.091	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	2:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	N-2:C-4:C-4:S-4:	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[5])(CCCH)2(SO3)	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[5])(CCCH)2(SO3)	107.4090	0.806	2	107.4090	0.650	2	107.4090	0.650	2	107.4090	0.650	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:2:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:O-2:C-4:O-1:	C(PC[6a]OO)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(OC[6])(CCCH)(O)	C(PC[6a]OO)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(OC[6])(CCCH)(O)	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:2:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5]-3:N-2:C-4:C-4:	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(NC[6])(CCCH)2	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(NC[6])(CCCH)2	107.5905	0.419	2	107.5905	0.176	2	107.3581	0.352	8	107.2685	0.597	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:2:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5]-3:N-2:C-4:C-4:	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(NC[6a])(CCCH)2	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(NC[6a])(CCCH)2	107.2807	0.654	6	107.2807	0.428	6	107.3581	0.352	8	107.2685	0.597	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:2:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5a]-3:N-2:C-4:C-4:	C(PC[5a]CN)(CH3)2(H)	H(CCCP)	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C(PC[5a]CN)(CH3)2(H)	H(CCCP)	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	107.2173	0.876	14	107.2173	0.767	14	107.2173	0.767	14	107.2685	0.597	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:3:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)3(CCCH)	C(PC[6a]3)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)3(CCCH)	107.6233	1.629	3	107.6233	2.654	3	107.6233	2.654	3	107.5088	1.822	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:3:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(CAlHH)(CCHH)(H)	H(CCCP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CCCH)	C(PC[6a]2N)(CAlHH)(CCHH)(H)	H(CCCP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CCCH)	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	107.5088	1.822	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	B-4:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	H(CBCP)	P(C[6a]C[6a]2)2(CBCH)(H)	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	H(CBCP)	P(C[6a]C[6a]2)2(CBCH)(H)	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	C[5]-4:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[5]C[5]2Fe)(PC[6a]2S)(CCHH)(H)	H(CC[5]CP)	P(C[6a]C[6a]2)2(CC[5]CH)(S)	C(C[5]C[5]2Fe)(PC[6a]2S)(CCHH)(H)	H(CC[5]CP)	P(C[6a]C[6a]2)2(CC[5]CH)(S)	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	C[6]-4:C-4:P-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	H(CC[6]CP)	P(C[6a]C[6a]2)2(CC[6]CH)(O)	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	H(CC[6]CP)	P(C[6a]C[6a]2)2(CC[6]CH)(O)	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	Ge[4]-4:P-4:P-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(Ge[4]S[4]2Cl)(PC[6a]2S)2(H)	H(CGe[4]PP)	P(C[6a]C[6a]2)2(CGe[4]HP)(S)	C(Ge[4]S[4]2Cl)(PC[6a]2S)2(H)	H(CGe[4]PP)	P(C[6a]C[6a]2)2(CGe[4]HP)(S)	106.2610	0.000	1	106.2610	0.000	1	106.2610	0.000	1	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(CH3)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCHH)(CH3)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(O)	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CCHH)(CH3)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(S)	C(PC[6a]2S)(CCHH)(CH3)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(S)	107.8985	0.325	2	107.8985	0.105	2	107.1257	1.979	4	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)(S)	C(PC[6a]2S)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)(S)	107.6650	0.000	1	107.6650	0.000	1	107.1257	1.979	4	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])2(CCCH)(S)	C(PC[6a]2S)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])2(CCCH)(S)	105.0410	0.000	1	105.0410	0.000	1	107.1257	1.979	4	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	P-4:P-4:B-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)2(BHHS)(H)	H(CBPP)	P(C[6a]C[6a]2)2(CBHP)(S)	C(PC[6a]2S)2(BHHS)(H)	H(CBPP)	P(C[6a]C[6a]2)2(CBHP)(S)	97.6186	0.000	1	97.6186	0.000	1	97.6186	0.000	1	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	P-4:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)2(CCHH)(H)	H(CCPP)	P(C[6a]C[6a]2)2(CCHP)(O)	C(PC[6a]2O)2(CCHH)(H)	H(CCPP)	P(C[6a]C[6a]2)2(CCHP)(O)	105.2355	0.013	2	105.2355	0.000	2	106.0030	2.672	10	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:1:	P-4:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)2(CHHP)(H)	H(CCPP)	P(C[6a]C[6a]2)2(CCHP)(O)	C(PC[6a]2O)2(CHHP)(H)	H(CCPP)	P(C[6a]C[6a]2)2(CCHP)(O)	106.1949	1.796	8	106.1949	3.224	8	106.0030	2.672	10	106.2142	7.087	20	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:2:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(OCo)	C(PC[6a]2O)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(OCo)	108.0080	0.440	2	108.0080	0.193	2	108.0080	0.193	2	107.9777	0.099	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:2:	P-4:P-4:B-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:S-2:	C(PC[6a]2S)2(BHHS)(H)	H(CBPP)	P(C[6a]C[6a]2)2(CBHP)(SB)	C(PC[6a]2S)2(BHHS)(H)	H(CBPP)	P(C[6a]C[6a]2)2(CBHP)(SB)	107.9170	0.000	1	107.9170	0.000	1	107.9170	0.000	1	107.9777	0.099	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	B-4:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	H(CBCP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CBCH)	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	H(CBCP)	P(C[6a]C[6a]2)2(CC[6a]HH)(CBCH)	105.9080	0.000	1	105.9080	0.000	1	105.9080	0.000	1	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	C-4:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(BH3)	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(BH3)	107.2063	0.745	3	107.2063	0.555	3	107.2063	0.555	3	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	C[5]-4:P-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[5]C[5]2Fe)(PC[6a]2B)(CH3)(H)	H(CC[5]CP)	P(C[6a]C[6a]2)2(CC[5]CH)(BH3)	C(C[5]C[5]2Fe)(PC[6a]2B)(CH3)(H)	H(CC[5]CP)	P(C[6a]C[6a]2)2(CC[5]CH)(BH3)	107.6350	0.000	1	107.6350	0.000	1	107.6350	0.000	1	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5]-3:N-3:C-4:C-4:	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(NC[6a]Co)(CCCH)2	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(NC[6a]Co)(CCCH)2	106.6788	1.458	8	106.6788	2.125	8	106.6652	1.476	25	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5]-3:N-3:C-4:C-4:	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(NC[6a]Fe)(CCCH)2	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(NC[6a]Fe)(CCCH)2	106.5150	1.214	13	106.5150	1.474	13	106.6652	1.476	25	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5]-3:N-3:C-4:C-4:	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(NCoSi)(CCCH)2	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(NCoSi)(CCCH)2	107.1262	0.754	4	107.1262	0.569	4	106.6652	1.476	25	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5a]-3:N-3:C-4:C-4:	C(PC[5a]CN)(CH3)2(H)	H(CCCP)	P(C[5a]C[5a]N[5a])(NC[6a]Al)(CCCH)2	C(PC[5a]CN)(CH3)2(H)	H(CCCP)	P(C[5a]C[5a]N[5a])(NC[6a]Al)(CCCH)2	107.4369	0.655	10	107.4369	0.429	10	107.2461	0.990	18	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5a]-3:N-3:C-4:C-4:	C(PC[5a]CN)(CH3)2(H)	H(CCCP)	P(C[5a]C[5a]N[5a])(NC[6a]B)(CCCH)2	C(PC[5a]CN)(CH3)2(H)	H(CCCP)	P(C[5a]C[5a]N[5a])(NC[6a]B)(CCCH)2	106.4075	1.604	4	106.4075	2.573	4	107.2461	0.990	18	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5a]-3:N-3:C-4:C-4:	C(PC[5a]CN)(CH3)2(H)	H(CCCP)	P(C[5a]C[5a]N[5a])(NC[6a]Rh)(CCCH)2	C(PC[5a]CN)(CH3)2(H)	H(CCCP)	P(C[5a]C[5a]N[5a])(NC[6a]Rh)(CCCH)2	107.6075	0.720	4	107.6075	0.518	4	107.2461	0.990	18	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:B-4:C-4:	C(PC[6a]2B)(CBHH)(CH3)(H)	H(CCCP)	P(C[6a]C[6a]2)2(BC[6a]CH)(CCCH)	C(PC[6a]2B)(CBHH)(CH3)(H)	H(CCCP)	P(C[6a]C[6a]2)2(BC[6a]CH)(CCCH)	107.7160	0.000	1	107.7160	0.000	1	107.7160	0.000	1	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(BH3)	C(PC[6a]2B)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(BH3)	108.9127	0.410	3	108.9127	0.168	3	108.9127	0.168	3	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CIrHH)(CHHP)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(CH3)	C(PC[6a]2C)(CIrHH)(CHHP)(H)	H(CCCP)	P(C[6a]C[6a]2)2(CCCH)(CH3)	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	107.0536	1.359	53	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[5]-3:C-4:C-4:S-1:	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6a]C[5])(CCCH)2(S)	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6a]C[5])(CCCH)2(S)	107.9740	0.854	2	107.9740	0.730	2	107.9740	0.730	2	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:H-1:	C(PC[6a]CH)(CH3)2(H)	H(CCCP)	P(C[6a]C[6,6a]C[6a])(CCCH)2(H)	C(PC[6a]CH)(CH3)2(H)	H(CCCP)	P(C[6a]C[6,6a]C[6a])(CCCH)2(H)	108.6315	0.927	4	108.6315	0.860	4	108.1381	0.846	12	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:H-1:	C(PC[6a]CH)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(H)	C(PC[6a]CH)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(H)	107.8914	0.868	8	107.8914	0.753	8	108.1381	0.846	12	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(O)	C(PC[6a]CO)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(O)	107.4411	2.309	14	107.4411	5.330	14	107.4725	4.179	20	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(O)	C(PC[6a]CO)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(O)	107.5455	1.419	6	107.5455	2.014	6	107.4725	4.179	20	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:S-1:	C(PC[6a]CS)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]2)(CCCH)2(S)	C(PC[6a]CS)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]2)(CCCH)2(S)	107.8649	1.084	14	107.8649	1.175	14	107.9418	0.901	32	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:S-1:	C(PC[6a]CS)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(S)	C(PC[6a]CS)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(S)	108.0260	0.922	14	108.0260	0.850	14	107.9418	0.901	32	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:S-1:	C(PC[6a]CS)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(S)	C(PC[6a]CS)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(S)	107.9165	0.687	4	107.9165	0.473	4	107.9418	0.901	32	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:Se-1:	C(PC[6a]SeC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]2)(CCCH)2(Se)	C(PC[6a]SeC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]2)(CCCH)2(Se)	108.0223	0.315	6	108.0223	0.099	6	108.0455	0.084	12	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:Se-1:	C(PC[6a]SeC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(Se)	C(PC[6a]SeC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(Se)	108.0687	0.291	6	108.0687	0.084	6	108.0455	0.084	12	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:O-1:	C(PCNO)(CH3)2(H)	H(CCCP)	P(NC[6a]H)(CCCH)2(O)	C(PCNO)(CH3)2(H)	H(CCCP)	P(NC[6a]H)(CCCH)2(O)	108.2305	0.943	4	108.2305	0.889	4	108.2305	0.889	4	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:S-1:	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(S)	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(S)	107.7847	0.833	3	107.7847	0.694	3	108.0260	0.331	7	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:S-1:	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6a]H)(CCCH)2(S)	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6a]H)(CCCH)2(S)	108.2070	0.311	4	108.2070	0.096	4	108.0260	0.331	7	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:Se-1:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(NC[6a]H)(CCCH)2(Se)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(NC[6a]H)(CCCH)2(Se)	108.0750	0.129	2	108.0750	0.017	2	108.0750	0.017	2	107.9010	1.425	91	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C-3:C-4:C-4:N-2:	C(PCCN)(CH3)2(H)	H(CCCP)	P(CC[6]H)(CCCH)2(NSi)	C(PCCN)(CH3)2(H)	H(CCCP)	P(CC[6]H)(CCCH)2(NSi)	107.5240	0.750	2	107.5240	0.562	2	107.5240	0.562	2	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C-3:C-4:C-4:S-2:	C(PCCS)(CH3)2(H)	H(CCCP)	P(CC[6]H)(CCCH)2(SMg)	C(PCCS)(CH3)2(H)	H(CCCP)	P(CC[6]H)(CCCH)2(SMg)	106.5263	2.277	4	106.5263	5.183	4	106.5263	5.183	4	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C[5]-3:C-4:C-4:N-2:	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(CCCH)2(NN)	C(PC[5]CN)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2)(CCCH)2(NN)	107.8755	0.487	2	107.8755	0.237	2	107.8755	0.237	2	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C[5]-3:C-4:C-4:S-2:	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6a]C[5])(CCCH)2(SIr)	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6a]C[5])(CCCH)2(SIr)	108.1715	0.500	2	108.1715	0.250	2	108.0078	0.274	4	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C[5]-3:C-4:C-4:S-2:	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6a]C[5])(CCCH)2(SRh)	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6a]C[5])(CCCH)2(SRh)	107.8440	0.682	2	107.8440	0.465	2	108.0078	0.274	4	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(OTe)	C(PC[6a]CO)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(OTe)	107.2650	1.322	2	107.2650	1.748	2	107.2650	1.748	2	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:S-2:	C(PC[6a]CS)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(SRh)	C(PC[6a]CS)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(SRh)	107.2797	0.874	7	107.2797	0.764	7	107.2797	0.764	7	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:O-2:	C(PCNO)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(OFe)	C(PCNO)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(OFe)	108.1810	0.797	4	108.1810	0.636	4	108.1810	0.636	4	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:S-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SCu)	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SCu)	107.1957	1.162	6	107.1957	1.350	6	107.4409	0.904	10	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:S-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SFe)	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SFe)	107.9350	0.205	2	107.9350	0.042	2	107.4409	0.904	10	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:S-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SPd)	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SPd)	107.6825	0.613	2	107.6825	0.376	2	107.4409	0.904	10	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:Se-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SeCu)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SeCu)	107.4080	0.556	2	107.4080	0.309	2	107.6725	0.201	4	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:Se-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SeFe)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SeFe)	107.9370	0.116	2	107.9370	0.013	2	107.6725	0.201	4	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	P-3:C-4:C-4:N-2:	C(PCNP)(CH3)2(H)	H(CCCP)	P(PC[6a]2)(CCCH)2(NP)	C(PCNP)(CH3)2(H)	H(CCCP)	P(PC[6a]2)(CCCH)2(NP)	105.8115	0.547	2	105.8115	0.299	2	105.8115	0.299	2	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	Se-3:C-4:C-4:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(SeCd2)(CCCH)2(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(SeCd2)(CCCH)2(NP)	107.2380	0.987	2	107.2380	0.974	2	107.4676	0.555	8	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	Se-3:C-4:C-4:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(SeCu2)(CCCH)2(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(SeCu2)(CCCH)2(NP)	107.5442	0.744	6	107.5442	0.554	6	107.4676	0.555	8	107.4206	1.069	49	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:3:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:C-3:	C(PCCN)(CH3)2(H)	H(CCCP)	P(NC[6a]Ni)(CCCH)2(CCH)	C(PCCN)(CH3)2(H)	H(CCCP)	P(NC[6a]Ni)(CCCH)2(CCH)	108.0680	0.279	4	108.0680	0.078	4	108.0680	0.078	4	107.8300	0.505	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:3:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:S-3:	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SCu2)	C(PCNS)(CH3)2(H)	H(CCCP)	P(NC[6]H)(CCCH)2(SCu2)	107.3540	1.270	2	107.3540	1.613	2	107.3540	1.613	2	107.8300	0.505	6	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	B[6]-3:C-4:C-4:C-4:	C(PB[6]CC)(CPtCH)(CCHH)(H)	H(CCCP)	P(B[6]C[6]2)(CCCH)(CC3)2	C(PB[6]CC)(CPtCH)(CCHH)(H)	H(CCCP)	P(B[6]C[6]2)(CCCH)(CC3)2	102.0190	0.000	1	102.0190	0.000	1	102.0190	0.000	1	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C-3:C-4:C-4:B-4:	C(PBCC)(CH3)2(H)	H(CCCP)	P(CC[5]H)(CCCH)2(BH3)	C(PBCC)(CH3)2(H)	H(CCCP)	P(CC[5]H)(CCCH)2(BH3)	107.3960	0.072	2	107.3960	0.005	2	107.3960	0.005	2	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(BH3)	C(PC[6a]BC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a,6a]C[6a])(CCCH)2(BH3)	106.8077	1.189	4	106.8077	1.414	4	107.1446	1.628	5	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(BH3)	C(PC[6a]BC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(BH3)	108.4920	0.000	1	108.4920	0.000	1	107.1446	1.628	5	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(CCHH)	C(PC[6a]CC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(CCHH)	106.9865	1.404	2	106.9865	1.970	2	106.8797	0.483	14	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(CH3)	C(PC[6a]CC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)2(CH3)	107.6755	0.315	2	107.6755	0.099	2	106.8797	0.483	14	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)3	C(PC[6a]CC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CCCH)3	106.6431	0.345	8	106.6431	0.119	8	106.8797	0.483	14	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CRhHH)(CCCH)2	C(PC[6a]CC)(CH3)2(H)	H(CCCP)	P(C[6a]C[6a]2)(CRhHH)(CCCH)2	106.9235	1.278	2	106.9235	1.633	2	106.8797	0.483	14	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:C-4:	C(PCCN)(CH3)2(H)	H(CCCP)	P(NC[6a]Co)(CCCH)2(CCHH)	C(PCCN)(CH3)2(H)	H(CCCP)	P(NC[6a]Co)(CCCH)2(CCHH)	107.0640	0.047	2	107.0640	0.002	2	106.4760	0.240	6	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	N-3:C-4:C-4:C-4:	C(PCCN)(CH3)2(H)	H(CCCP)	P(NC[6a]Ni)(CCCH)2(CCHH)	C(PCCN)(CH3)2(H)	H(CCCP)	P(NC[6a]Ni)(CCCH)2(CCHH)	106.1820	0.230	4	106.1820	0.053	4	106.4760	0.240	6	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	3:4:4:4:	P-4:Si-4:Si-4:H-1:	C-4:	C[6a]-3:C-4:B-4:B-4:	C(PC[6a]BB)(SiC3)2(H)	H(CSi2P)	P(C[6a]C[6a]2)(CSi2H)(BH3)2	C(PC[6a]BB)(SiC3)2(H)	H(CSi2P)	P(C[6a]C[6a]2)(CSi2H)(BH3)2	103.8730	0.079	2	103.8730	0.006	2	103.8730	0.006	2	106.5151	1.848	30	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:1:1:1:	C-4:N-4:P-4:H-1:	C-4:	C-4:H-1:O-1:O-1:	C(CC[6a]HH)(NCCH)(PHOO)(H)	H(CCNP)	P(CCHN)(H)(O)2	C(CC[6a]HH)(NCCH)(PHOO)(H)	H(CCNP)	P(CCHN)(H)(O)2	107.0140	0.000	1	107.0140	0.000	1	107.0140	0.000	1	104.2417	10.135	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:1:1:1:	P-4:Si-4:Si-4:H-1:	C-4:	C-4:Cl-1:Cl-1:S-1:	C(PCl2S)(SiC3)2(H)	H(CSi2P)	P(CSi2H)(Cl)2(S)	C(PCl2S)(SiC3)2(H)	H(CSi2P)	P(CSi2H)(Cl)2(S)	100.7650	0.000	1	100.7650	0.000	1	100.7650	0.000	1	104.2417	10.135	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:1:1:1:	P-4:Si-4:Si-4:H-1:	C-4:	C-4:Cl-1:Cl-1:Se-1:	C(PCl2Se)(SiC3)2(H)	H(CSi2P)	P(CSi2H)(Cl)2(Se)	C(PCl2Se)(SiC3)2(H)	H(CSi2P)	P(CSi2H)(Cl)2(Se)	104.9460	0.000	1	104.9460	0.000	1	104.9460	0.000	1	104.2417	10.135	3	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	C-4:C-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CC[6]HH)(CCHH)(PO3)(H)	H(CCCP)	P(CCCH)(OH)(O)2	C(CC[6]HH)(CCHH)(PO3)(H)	H(CCCP)	P(CCCH)(OH)(O)2	104.3620	0.000	1	104.3620	0.000	1	103.7565	0.733	2	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	C-4:C-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CH3)2(PO3)(H)	H(CCCP)	P(CCCH)(OC)(O)2	C(CH3)2(PO3)(H)	H(CCCP)	P(CCCH)(OC)(O)2	103.1510	0.000	1	103.1510	0.000	1	103.7565	0.733	2	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	C-4:N-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CCHH)(NCHH)(PO3)(H)	H(CCNP)	P(CCHN)(OH)(O)2	C(CCHH)(NCHH)(PO3)(H)	H(CCNP)	P(CCHN)(OH)(O)2	106.8490	0.000	1	106.8490	0.000	1	107.1435	0.100	4	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	C-4:N-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CCHH)(NH3)(PO3)(H)	H(CCNP)	P(CCHN)(OH)(O)2	C(CCHH)(NH3)(PO3)(H)	H(CCNP)	P(CCHN)(OH)(O)2	107.1680	0.389	2	107.1680	0.151	2	107.1435	0.100	4	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	C-4:N-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CH3)(NH3)(PO3)(H)	H(CCNP)	P(CCHN)(OH)(O)2	C(CH3)(NH3)(PO3)(H)	H(CCNP)	P(CCHN)(OH)(O)2	107.3890	0.000	1	107.3890	0.000	1	107.1435	0.100	4	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	C-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CC[5]HH)(PO3)2(H)	H(CCPP)	P(CCHP)(OH)(O)2	C(CC[5]HH)(PO3)2(H)	H(CCPP)	P(CCHP)(OH)(O)2	106.7330	0.000	1	106.7330	0.000	1	106.1385	0.707	2	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	C-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(CHHN)(PO3)2(H)	H(CCPP)	P(CCHP)(OH)(O)2	C(CHHN)(PO3)2(H)	H(CCPP)	P(CCHP)(OH)(O)2	105.5440	0.000	1	105.5440	0.000	1	106.1385	0.707	2	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	N-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(NCHH)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)(O)2	C(NCHH)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)(O)2	106.9795	0.392	6	106.9795	0.154	6	106.9795	0.154	6	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	N[5]-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(N[5]C[5]2H)(PO3)2(H)	H(CN[5]PP)	P(CN[5]HP)(OH)(O)2	C(N[5]C[5]2H)(PO3)2(H)	H(CN[5]PP)	P(CN[5]HP)(OH)(O)2	106.3570	0.000	1	106.3570	0.000	1	106.3570	0.000	1	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	N[6]-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-1:O-1:	C(N[6]C[6]2H)(PO3)2(H)	H(CN[6]PP)	P(CN[6]HP)(OH)(O)2	C(N[6]C[6]2H)(PO3)2(H)	H(CN[6]PP)	P(CN[6]HP)(OH)(O)2	104.3600	0.000	1	104.3600	0.000	1	104.3600	0.000	1	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:1:1:	P-4:Si-4:Si-4:H-1:	C-4:	C-4:O-2:Cl-1:O-1:	C(PClOO)(SiC3)2(H)	H(CSi2P)	P(CSi2H)(OH)(Cl)(O)	C(PClOO)(SiC3)2(H)	H(CSi2P)	P(CSi2H)(OH)(Cl)(O)	104.2030	0.000	1	104.2030	0.000	1	104.2030	0.000	1	106.1859	1.816	17	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:2:1:	C-4:C-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[6a]HN)(CH3)(PO3)(H)	H(CCCP)	P(CCCH)(OC)2(O)	C(CC[6a]HN)(CH3)(PO3)(H)	H(CCCP)	P(CCCH)(OC)2(O)	105.7920	0.000	1	105.7920	0.000	1	105.7920	0.000	1	106.8420	1.352	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:2:1:	C-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[5]HH)(PO3)2(H)	H(CCPP)	P(CCHP)(OC)2(O)	C(CC[5]HH)(PO3)2(H)	H(CCPP)	P(CCHP)(OC)2(O)	106.6900	0.000	1	106.6900	0.000	1	106.8663	0.602	6	106.8420	1.352	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:2:1:	C-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[5]HH)(PO3)2(H)	H(CCPP)	P(CCHP)(OH)2(O)	C(CC[5]HH)(PO3)2(H)	H(CCPP)	P(CCHP)(OH)2(O)	106.7050	0.000	1	106.7050	0.000	1	106.8663	0.602	6	106.8420	1.352	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:2:1:	C-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CC[6a]HH)(PO3)2(H)	H(CCPP)	P(CCHP)(OC)2(O)	C(CC[6a]HH)(PO3)2(H)	H(CCPP)	P(CCHP)(OC)2(O)	107.6805	0.043	2	107.6805	0.002	2	106.8663	0.602	6	106.8420	1.352	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:2:1:	C-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CHHN)(PO3)2(H)	H(CCPP)	P(CCHP)(OC)2(O)	C(CHHN)(PO3)2(H)	H(CCPP)	P(CCHP)(OC)2(O)	106.8500	0.000	1	106.8500	0.000	1	106.8663	0.602	6	106.8420	1.352	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:2:1:	C-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(CHHN)(PO3)2(H)	H(CCPP)	P(CCHP)(OH)2(O)	C(CHHN)(PO3)2(H)	H(CCPP)	P(CCHP)(OH)2(O)	105.5920	0.000	1	105.5920	0.000	1	106.8663	0.602	6	106.8420	1.352	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:2:1:	N-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(NCHH)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)2(O)	C(NCHH)(PO3)2(H)	H(CNPP)	P(CHNP)(OH)2(O)	107.5782	1.044	4	107.5782	1.090	4	107.5782	1.090	4	106.8420	1.352	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:2:1:	N[5]-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(N[5]C[5]2H)(PO3)2(H)	H(CN[5]PP)	P(CN[5]HP)(OH)2(O)	C(N[5]C[5]2H)(PO3)2(H)	H(CN[5]PP)	P(CN[5]HP)(OH)2(O)	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	106.8420	1.352	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:2:2:1:	N[6]-4:P-4:P-4:H-1:	C-4:	C-4:O-2:O-2:O-1:	C(N[6]C[6]2H)(PO3)2(H)	H(CN[6]PP)	P(CN[6]HP)(OH)2(O)	C(N[6]C[6]2H)(PO3)2(H)	H(CN[6]PP)	P(CN[6]HP)(OH)2(O)	104.3070	0.000	1	104.3070	0.000	1	104.3070	0.000	1	106.8420	1.352	13	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:1:1:	C-4:P-4:C-4:H-1:	C-4:	C[6]-4:C-4:H-1:O-1:	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	H(CCCP)	P(C[6]C[6]2H)(CCCH)(H)(O)	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	H(CCCP)	P(C[6]C[6]2H)(CCCH)(H)(O)	106.0650	0.000	1	106.0650	0.000	1	106.0650	0.000	1	107.4647	1.795	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:1:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:I-1:I-1:	C(PCII)(CH3)2(H)	H(CCCP)	P(CCCH)(CC3)(I)2	C(PCII)(CH3)2(H)	H(CCCP)	P(CCCH)(CC3)(I)2	107.6980	1.303	6	107.6980	1.697	6	107.6980	1.697	6	107.4647	1.795	7	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-2:Cl-1:	C(PClCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(Cl)	C(PClCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(Cl)	107.5270	1.359	2	107.5270	1.847	2	107.5270	1.847	2	107.4959	0.410	35	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-2:H-1:	C(PCHN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(H)	C(PCHN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(H)	107.3455	1.064	2	107.3455	1.133	2	107.3455	1.133	2	107.4959	0.410	35	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-2:I-1:	C(PCIN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(I)	C(PCIN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(I)	107.2265	0.911	2	107.2265	0.831	2	107.2265	0.831	2	107.4959	0.410	35	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-2:S-1:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(S)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(S)	107.6850	0.228	6	107.6850	0.052	6	107.6850	0.052	6	107.4959	0.410	35	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-2:Se-1:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(Se)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(Se)	107.4001	0.513	18	107.4001	0.263	18	107.4001	0.263	18	107.4959	0.410	35	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:S-1:	C(PCSS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SMo)(S)	C(PCSS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SMo)(S)	106.6255	0.250	2	106.6255	0.062	2	107.7692	1.114	5	107.4959	0.410	35	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:S-1:	C(PCSS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SS)(S)	C(PCSS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SS)(S)	108.5317	0.132	3	108.5317	0.017	3	107.7692	1.114	5	107.4959	0.410	35	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-2:S-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(SU)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(NP)(SU)	107.3439	0.624	12	107.3439	0.389	12	107.3439	0.389	12	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:O-2:N-2:	C(PCNO)(CH3)2(H)	H(CCCP)	P(CCCH)2(OZn)(NC)	C(PCNO)(CH3)2(H)	H(CCCP)	P(CCCH)2(OZn)(NC)	107.7915	0.278	4	107.7915	0.077	4	107.7915	0.077	4	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SAg)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SAg)(NP)	107.5031	0.309	11	107.5031	0.096	11	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SCe)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SCe)(NP)	107.3136	0.623	11	107.3136	0.389	11	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SCo)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SCo)(NP)	107.9055	0.221	2	107.9055	0.049	2	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SCu)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SCu)(NP)	107.4312	0.246	6	107.4312	0.060	6	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SLa)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SLa)(NP)	107.4779	0.834	10	107.4779	0.696	10	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SMn)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SMn)(NP)	107.6093	0.482	11	107.6093	0.232	11	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SNi)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SNi)(NP)	107.7012	0.548	6	107.7012	0.300	6	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SOs)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SOs)(NP)	106.4733	1.208	23	106.4733	1.460	23	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SPu)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SPu)(NP)	107.3939	0.773	11	107.3939	0.598	11	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SRu)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SRu)(NP)	106.6162	1.309	29	106.6162	1.715	29	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(STe)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(STe)(NP)	107.8360	0.383	6	107.8360	0.146	6	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SZn)(NC)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SZn)(NC)	107.8130	0.345	3	107.8130	0.119	3	107.1365	1.050	129	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeBi)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeBi)(NP)	106.6920	1.306	5	106.6920	1.705	5	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeCd)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeCd)(NP)	107.5100	0.741	2	107.5100	0.549	2	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeCo)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeCo)(NP)	107.2718	0.172	15	107.2718	0.030	15	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeCu)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeCu)(NP)	107.4183	0.479	11	107.4183	0.229	11	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeHg)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeHg)(NP)	107.2479	0.284	8	107.2479	0.081	8	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeIr)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeIr)(NP)	106.6817	0.843	4	106.6817	0.711	4	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeLi)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeLi)(NP)	107.5355	0.397	4	107.5355	0.158	4	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeNi)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeNi)(NP)	107.2972	0.209	10	107.2972	0.044	10	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeSb)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeSb)(NP)	107.0408	1.089	5	107.0408	1.185	5	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeSn)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeSn)(NP)	107.3945	1.732	4	107.3945	3.001	4	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeTe)(NP)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeTe)(NP)	107.3170	0.242	2	107.3170	0.058	2	107.2343	0.455	70	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:Se-2:	C(PSe2C)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeNi)2	C(PSe2C)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeNi)2	108.0005	0.405	4	108.0005	0.164	4	108.0005	0.164	4	107.2069	0.806	219	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:3:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:C-3:	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeLi)(CHP)	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeLi)(CHP)	107.7440	0.453	4	107.7440	0.205	4	107.7440	0.205	4	107.7440	0.205	4	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:2:4:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:Se-2:C-4:	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeAu)(CC3)	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(SeAu)(CC3)	106.5135	1.933	2	106.5135	3.735	2	106.5135	3.735	2	106.5135	3.735	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-3:S-1:	C(PCCS)(CH3)2(H)	H(CCCP)	P(CCCH)2(CCF)(S)	C(PCCS)(CH3)2(H)	H(CCCP)	P(CCCH)2(CCF)(S)	104.3650	3.065	2	104.3650	9.392	2	104.3650	9.392	2	106.2618	6.353	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-3:Se-1:	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CCF)(Se)	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CCF)(Se)	104.8670	1.119	2	104.8670	1.251	2	104.8670	1.251	2	106.2618	6.353	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-3:H-1:	C(PCHN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NRuC)(H)	C(PCHN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NRuC)(H)	108.5180	0.991	2	108.5180	0.983	2	108.5180	0.983	2	106.2618	6.353	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-3:O-1:	C(PCNO)(CH3)2(H)	H(CCCP)	P(CCCH)2(NCH)(O)	C(PCNO)(CH3)2(H)	H(CCCP)	P(CCCH)2(NCH)(O)	107.8300	0.313	2	107.8300	0.098	2	107.8300	0.098	2	106.2618	6.353	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-3:S-1:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(NCH)(S)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(NCH)(S)	107.7207	0.367	4	107.7207	0.135	4	107.5861	1.064	10	106.2618	6.353	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-3:S-1:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(NHP)(S)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(NHP)(S)	107.4963	1.346	6	107.4963	1.811	6	107.5861	1.064	10	106.2618	6.353	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-3:Se-1:	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NHP)(Se)	C(PSeCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NHP)(Se)	102.6847	2.395	4	102.6847	5.737	4	102.6847	5.737	4	106.2618	6.353	22	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-3:N-2:	C(PCCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(COO)(NP)	C(PCCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(COO)(NP)	107.5061	0.659	14	107.5061	0.434	14	107.5061	0.434	14	106.7718	7.117	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:N-3:N-2:	C(PCNN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NCP)(NCo)	C(PCNN)(CH3)2(H)	H(CCCP)	P(CCCH)2(NCP)(NCo)	106.0110	4.807	4	106.0110	23.107	4	106.0110	23.107	4	106.7718	7.117	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-3:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SAg2)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SAg2)(NP)	107.4763	0.415	12	107.4763	0.172	12	106.3194	9.785	16	106.7718	7.117	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:3:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:S-3:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SRu2)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCH)2(SRu2)(NP)	102.8485	5.184	4	102.8485	26.876	4	106.3194	9.785	16	106.7718	7.117	34	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:Br-1:	C(PBrCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CCHH)(Br)	C(PBrCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CCHH)(Br)	107.2915	0.176	2	107.2915	0.031	2	107.1163	0.266	6	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:Br-1:	C(PBrCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CHHP)(Br)	C(PBrCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CHHP)(Br)	107.0288	0.634	4	107.0288	0.402	4	107.1163	0.266	6	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)2(H)	H(CCCP)	P(CCCH)3(H)	C(PCCH)(CH3)2(H)	H(CCCP)	P(CCCH)3(H)	107.1035	1.198	6	107.1035	1.435	6	107.1035	1.435	6	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:I-1:	C(PCCI)(CH3)2(H)	H(CCCP)	P(CCCH)3(I)	C(PCCI)(CH3)2(H)	H(CCCP)	P(CCCH)3(I)	106.7562	0.948	9	106.7562	0.899	9	106.7562	0.899	9	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)2(H)	H(CCCP)	P(CCCH)2(CCHH)(O)	C(PCCO)(CH3)2(H)	H(CCCP)	P(CCCH)2(CCHH)(O)	107.5740	1.744	2	107.5740	3.041	2	107.4875	1.832	6	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)2(H)	H(CCCP)	P(CC[6a]HH)(CCCH)2(O)	C(PCCO)(CH3)2(H)	H(CCCP)	P(CC[6a]HH)(CCCH)2(O)	107.4442	1.426	4	107.4442	2.033	4	107.4875	1.832	6	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(PCCS)(CH3)2(H)	H(CCCP)	P(CCCH)3(S)	C(PCCS)(CH3)2(H)	H(CCCP)	P(CCCH)3(S)	106.5485	2.568	2	106.5485	6.592	2	106.9617	1.638	12	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(PCCS)(CH3)2(H)	H(CCCP)	P(CC[6a]GeH)(CCCH)2(S)	C(PCCS)(CH3)2(H)	H(CCCP)	P(CC[6a]GeH)(CCCH)2(S)	107.3483	0.583	4	107.3483	0.340	4	106.9617	1.638	12	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:S-1:	C(PCCS)(CH3)2(H)	H(CCCP)	P(CC[6a]HH)(CCCH)2(S)	C(PCCS)(CH3)2(H)	H(CCCP)	P(CC[6a]HH)(CCCH)2(S)	106.8418	1.370	6	106.8418	1.876	6	106.9617	1.638	12	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:Se-1:	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CCHH)(Se)	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CCHH)(Se)	107.1483	0.713	6	107.1483	0.508	6	107.1722	0.367	8	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:Se-1:	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CHHP)(Se)	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CHHP)(Se)	107.2440	0.130	2	107.2440	0.017	2	107.1722	0.367	8	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[4,4]-4:C-4:C-4:S-1:	C(PC[4,4]CS)(CH3)2(H)	H(CCCP)	P(C[4,4]Ge[4,4]2C[4,6])(CCCH)2(S)	C(PC[4,4]CS)(CH3)2(H)	H(CCCP)	P(C[4,4]Ge[4,4]2C[4,6])(CCCH)2(S)	106.2233	1.473	3	106.2233	2.170	3	106.2233	2.170	3	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[5]-4:C-4:C-4:S-1:	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6]C[5]Fe)(CCCH)2(S)	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6]C[5]Fe)(CCCH)2(S)	107.7490	1.178	2	107.7490	1.388	2	107.4616	1.730	12	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[5]-4:C-4:C-4:S-1:	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6]C[5]Mn)(CCCH)2(S)	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6]C[5]Mn)(CCCH)2(S)	107.7160	0.005	4	107.7160	0.000	4	107.4616	1.730	12	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[5]-4:C-4:C-4:S-1:	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6]C[5]Ru)(CCCH)2(S)	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6]C[5]Ru)(CCCH)2(S)	107.7555	1.194	2	107.7555	1.426	2	107.4616	1.730	12	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[5]-4:C-4:C-4:S-1:	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6a]C[5]H)(CCCH)2(S)	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6a]C[5]H)(CCCH)2(S)	106.9165	2.193	4	106.9165	4.811	4	107.4616	1.730	12	107.0996	1.228	62	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	B-4:C-4:C-4:N-2:	C(PBCN)(CH3)2(H)	H(CCCP)	P(BC[6a]3)(CCCH)2(NP)	C(PBCN)(CH3)2(H)	H(CCCP)	P(BC[6a]3)(CCCH)2(NP)	107.2535	1.353	4	107.2535	1.831	4	107.2535	1.831	4	106.9401	1.363	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:B-4:N-2:	C(PBCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(BH3)(NP)	C(PBCN)(CH3)2(H)	H(CCCP)	P(CCCH)2(BH3)(NP)	107.7341	0.127	8	107.7341	0.016	8	107.7341	0.016	8	106.9401	1.363	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)2(H)	H(CCCP)	P(CCCH)3(NP)	C(PCCN)(CH3)2(H)	H(CCCP)	P(CCCH)3(NP)	107.5620	1.608	2	107.5620	2.586	2	107.4688	1.714	6	106.9401	1.363	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)2(H)	H(CCCP)	P(CC[6a]HH)(CCCH)2(NSi)	C(PCCN)(CH3)2(H)	H(CCCP)	P(CC[6a]HH)(CCCH)2(NSi)	107.4495	1.600	2	107.4495	2.561	2	107.4688	1.714	6	106.9401	1.363	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)2(H)	H(CCCP)	P(CC[6a]SnH)(CCCH)2(NSi)	C(PCCN)(CH3)2(H)	H(CCCP)	P(CC[6a]SnH)(CCCH)2(NSi)	107.3950	1.843	2	107.3950	3.396	2	107.4688	1.714	6	106.9401	1.363	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:Se-2:	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)(CC3)2(SeI)	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)(CC3)2(SeI)	105.5250	0.317	2	105.5250	0.100	2	106.1937	1.342	16	106.9401	1.363	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:Se-2:	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CHHP)(SeI)	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)2(CHHP)(SeI)	107.6410	0.430	2	107.6410	0.185	2	106.1937	1.342	16	106.9401	1.363	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:Se-2:	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)3(SeI)	C(PSeCC)(CH3)2(H)	H(CCCP)	P(CCCH)3(SeI)	106.0639	1.150	12	106.0639	1.323	12	106.1937	1.342	16	106.9401	1.363	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	C[5]-4:C-4:C-4:S-2:	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6a]C[5]H)(CCCH)2(SPd)	C(PC[5]CS)(CH3)2(H)	H(CCCP)	P(C[5]C[5,6a]C[5]H)(CCCH)2(SPd)	107.2840	1.298	2	107.2840	1.685	2	107.2840	1.685	2	106.9401	1.363	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:	In[5]-4:C-4:C-4:N-2:	C(PIn[5]CN)(CH3)2(H)	H(CCCP)	P(In[5]P[5]S[5]Cl)(CCCH)2(NP)	C(PIn[5]CN)(CH3)2(H)	H(CCCP)	P(In[5]P[5]S[5]Cl)(CCCH)2(NP)	107.0595	0.528	4	107.0595	0.279	4	107.0595	0.279	4	106.9401	1.363	40	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:3:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:N-3:	C(PCCN)(CH3)2(H)	H(CCCP)	P(CCCH)3(NNiC)	C(PCCN)(CH3)2(H)	H(CCCP)	P(CCCH)3(NNiC)	106.3434	0.936	12	106.3434	0.876	12	106.3434	0.876	12	106.3434	0.876	12	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	C-4:C-4:P-4:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CBHH)(CH3)(PC3)(H)	H(CCCP)	P(CCCH)(CC3)3	C(CBHH)(CH3)(PC3)(H)	H(CCCP)	P(CCCH)(CC3)3	106.4490	0.000	1	106.4490	0.000	1	106.5602	0.251	4	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	C-4:C-4:P-4:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CH3)2(PC3)(H)	H(CCCP)	P(CCCH)3(CCHH)	C(CH3)2(PC3)(H)	H(CCCP)	P(CCCH)3(CCHH)	106.4450	0.772	2	106.4450	0.596	2	106.5602	0.251	4	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	C-4:C-4:P-4:H-1:	C-4:	C-4:C-4:C-4:C-4:	C(CRuHH)(CHHP)(PC3)(H)	H(CCCP)	P(CCCH)3(CCHH)	C(CRuHH)(CHHP)(PC3)(H)	H(CCCP)	P(CCCH)3(CCHH)	106.9020	0.000	1	106.9020	0.000	1	106.5602	0.251	4	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	C-4:P-4:Si-4:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(CCHH)(PBCC)(SiC3)(H)	H(CSiCP)	P(CSiCH)(CCHH)2(BH3)	C(CCHH)(PBCC)(SiC3)(H)	H(CSiCP)	P(CSiCH)(CCHH)2(BH3)	106.2770	0.000	1	106.2770	0.000	1	106.2770	0.000	1	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	C[5]-4:P-4:C-4:H-1:	C-4:	C[6]-4:C-4:C-4:B-4:	C(C[5]C[5]2Fe)(PC[6]BC)(CH3)(H)	H(CC[5]CP)	P(C[6]C[6]2H)(CC[5]CH)2(BH3)	C(C[5]C[5]2Fe)(PC[6]BC)(CH3)(H)	H(CC[5]CP)	P(C[6]C[6]2H)(CC[5]CH)2(BH3)	106.8243	1.072	4	106.8243	1.149	4	106.8243	1.149	4	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	As-4:C-4:C-4:C-4:	C(PAsCC)(CH3)2(H)	H(CCCP)	P(AsHWW)(CCCH)2(CH3)	C(PAsCC)(CH3)2(H)	H(CCCP)	P(AsHWW)(CCCH)2(CH3)	106.8430	1.376	2	106.8430	1.893	2	106.8430	1.893	2	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(PBCC)(CH3)2(H)	H(CCCP)	P(CC[6a]HH)(CCCH)2(BH3)	C(PBCC)(CH3)2(H)	H(CCCP)	P(CC[6a]HH)(CCCH)2(BH3)	104.1220	1.976	4	104.1220	3.905	4	105.8083	5.351	8	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:B-4:	C(PBCC)(CH3)2(H)	H(CCCP)	P(CN[5a]HH)(CCCH)2(BH3)	C(PBCC)(CH3)2(H)	H(CCCP)	P(CN[5a]HH)(CCCH)2(BH3)	107.4945	0.999	4	107.4945	0.997	4	105.8083	5.351	8	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C-4:C-4:C-4:P-4:	C(PCCP)(CH3)2(H)	H(CCCP)	P(CCCH)3(PC3)	C(PCCP)(CH3)2(H)	H(CCCP)	P(CCCH)3(PC3)	101.5639	2.310	3	101.5639	5.336	3	101.5639	5.336	3	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2Fe)(CCCH)3	C(PC[5]CC)(CH3)2(H)	H(CCCP)	P(C[5]C[5]2Fe)(CCCH)3	104.9095	2.166	2	104.9095	4.691	2	104.9743	2.358	3	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(CPdCH)(CCHH)(H)	H(CCCP)	P(C[5]C[5]2Fe)(CCCH)3	C(PC[5]CC)(CPdCH)(CCHH)(H)	H(CCCP)	P(C[5]C[5]2Fe)(CCCH)3	105.1040	0.000	1	105.1040	0.000	1	104.9743	2.358	3	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CH3)2(H)	H(CCCP)	P(GaCl2N)(CCCH)2(CCHH)	C(PGaCC)(CH3)2(H)	H(CCCP)	P(GaCl2N)(CCCH)2(CCHH)	107.6400	0.082	2	107.6400	0.007	2	107.6400	0.007	2	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	4:4:4:4:	P-4:Si-4:Si-4:H-1:	C-4:	C-4:B-4:C-4:C-4:	C(PBCC)(SiC3)2(H)	H(CSi2P)	P(CSi2H)(BH3)(CH3)2	C(PBCC)(SiC3)2(H)	H(CSi2P)	P(CSi2H)(BH3)(CH3)2	104.5135	0.187	2	104.5135	0.035	2	104.5135	0.035	2	105.6513	4.757	29	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	5:4:2:2:	P-4:C-4:C-4:H-1:	C-4:	C-5:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCHH)(CCCH)(SRu)(NP)	C(PCNS)(CH3)2(H)	H(CCCP)	P(CCCHH)(CCCH)(SRu)(NP)	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	107.3900	0.000	1	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	5:4:4:1:	P-4:C-4:C-4:H-1:	C-4:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	C(PC[3x3,3x5,12x6]CH)(CH3)2(H)	H(CCCP)	P(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCCH)2(H)	C(PC[3x3,3x5,12x6]CH)(CH3)2(H)	H(CCCP)	P(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCCH)2(H)	106.4290	1.800	2	106.4290	3.241	2	106.4290	3.241	2	106.4290	3.241	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:4:4:1:	4:	6:4:4:4:	P-4:C-4:C-4:H-1:	C-4:	B[5x3,5x5,20x6]-6:C-4:C-4:B-4:	C(PB[5x3,5x5,20x6]BC)(CH3)2(H)	H(CCCP)	P(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCCH)2(BH3)	C(PB[5x3,5x5,20x6]BC)(CH3)2(H)	H(CCCP)	P(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCCH)2(BH3)	107.2755	1.633	2	107.2755	2.666	2	107.2755	2.666	2	107.2755	2.666	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	4:5:1:1:	4:	3:3:3:4:	P-4:Nb-5:H-1:H-1:	C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(NbCCOO)(H)2	H(CNbHP)	P(C[6a]C[6a]2)3(CNbHH)	C(PC[6a]3)(NbCCOO)(H)2	H(CNbHP)	P(C[6a]C[6a]2)3(CNbHH)	106.5395	0.015	2	106.5395	0.000	2	106.5395	0.000	2	106.5395	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649
490	951	992	0:SP3_SP-NON_SP3	C	H	P	6:4:1:1:	4:	4:3:3:3:	B[3x3,3x5,12x6]-6:P-4:H-1:H-1:	C-4:	C-4:C[6a]-3:C[6a]-3:C[6a]-3:	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)	P(CB[3x3,3x5,12x6]HH)(C[6a]C[6a]2)3	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)	P(CB[3x3,3x5,12x6]HH)(C[6a]C[6a]2)3	106.6900	0.006	2	106.6900	0.000	2	106.6900	0.000	2	106.6900	0.000	2	108.5731	2.052	6649	108.5731	2.052	6649