490	490	959	0:SP3_SP3_SP3	C	C	S[5]	4:4:1:1:	4:4:1:1:	4:2:4:1:	S[5]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:O-1:	C(S[5]C[5]N[5]O)(CCHH)(H)2	C(CS[5]HH)(CCHN)(H)2	S[5](C[5]C[5]HH)(N[5]C[5])(CCHH)(O)	C(S[5]C[5]N[5]O)(CCHH)(H)2	C(CS[5]HH)(CCHN)(H)2	S[5](C[5]C[5]HH)(N[5]C[5])(CCHH)(O){1|C<4>,1|H<1>,1|O<1>}	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	108.4567	5.604	4	108.4567	5.604	4
490	490	959	0:SP3_SP3_SP3	C	C	S[5]	4:4:4:4:	4:1:1:1:	3:2:4:1:	S[5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5,6a]-3:N[5]-2:C-4:O-1:	C(S[5]C[5,6a]N[5]O)(CH3)3	C(CS[5]CC)(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC3)(O)	C(S[5]C[5,6a]N[5]O)(CH3)3	C(CS[5]CC)(H)3	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC3)(O){1|C<4>,1|H<1>,3|C<3>}	107.6943	2.218	3	107.6943	4.919	3	107.6943	4.919	3	107.6943	4.919	3	108.4567	5.604	4	108.4567	5.604	4
490	490	961	0:SP3_SP3_SP3	C	C	S[6]	4:4:1:1:	4:1:1:1:	3:2:4:1:	S[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:O-1:	C(S[6]C[6,6a]N[6]O)(CH3)(H)2	C(CS[6]HH)(H)3	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	C(CS[6]HH)(H)3	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(CCHH)(O){1|H<1>,4|C<3>}	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	110.2997	3.035	7	110.2997	3.035	7
490	490	961	0:SP3_SP3_SP3	C	C	S[6]	4:4:4:4:	4:1:1:1:	2:2:4:4:	S[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-4:	C(S[6]O[6]2C)(CH3)3	C(CS[6]CC)(H)3	S[6](O[6]C[6,6])(O[6]C[6])(CC3)2	C(S[6]O[6]2C)(CH3)3	C(CS[6]CC)(H)3	S[6](O[6]C[6,6])(O[6]C[6])(CC3)2{2|C<4>,3|H<1>}	110.3842	1.893	6	110.3842	3.582	6	110.3842	3.582	6	110.3842	3.582	6	110.2997	3.035	7	110.2997	3.035	7
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:1:1:	4:1:1:1:	3:3:4:	Ga-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:	C(GaCC)(CH3)(H)2	C(CGaHH)(H)3	Ga(CC[6a]C)2(CCHH)	C(GaCC)(CH3)(H)2	C(CGaHH)(H)3	Ga(CC[6a]C)2(CCHH)	114.9960	0.803	3	114.9960	0.645	3	114.9960	0.645	3	114.6238	0.984	4	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:1:1:	4:1:1:1:	3:3:4:	Ga-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(GaC[6a]2)(CH3)(H)2	C(CGaHH)(H)3	Ga(C[6a]C[6a]2)2(CCHH)	C(GaC[6a]2)(CH3)(H)2	C(CGaHH)(H)3	Ga(C[6a]C[6a]2)2(CCHH)	113.5070	0.000	1	113.5070	0.000	1	113.5070	0.000	1	114.6238	0.984	4	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:1:1:	4:1:1:1:	4:4:2:	Ga-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:	C(GaCC)(CH3)(H)2	C(CGaHH)(H)3	Ga(CCHH)2(CC)	C(GaCC)(CH3)(H)2	C(CGaHH)(H)3	Ga(CCHH)2(CC)	115.9915	0.817	2	115.9915	0.667	2	115.9915	0.667	2	115.9915	0.667	2	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:1:1:	4:4:4:4:	4:4:4:	Ga-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-4:C-4:	C(GaCC)(CC3)(H)2	C(CGaHH)(CH3)3	Ga(CGaSiC)(CCHH)2	C(GaCC)(CC3)(H)2	C(CGaHH)(CH3)3	Ga(CGaSiC)(CCHH)2	120.7075	1.924	4	120.7075	3.702	4	120.7075	3.702	4	120.7075	3.702	4	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:3:1:	4:3:1:1:	3:2:4:	Ga-3:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:Ga-2:C-4:	C(GaC[6a]Ga)(CCHH)(CCH)(H)	C(CGaCH)(CCH)(H)2	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	C(GaC[6a]Ga)(CCHH)(CCH)(H)	C(CGaCH)(CCH)(H)2	Ga(C[6a]C[6a]2)(GaC[6a])(CCCH)	115.0980	0.000	1	115.0980	0.000	1	115.0980	0.000	1	115.0980	0.000	1	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:4:1:	4:1:1:1:	4:4:3:	Ga-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(GaCC)(CH3)2(H)	C(CGaCH)(H)3	Ga(CCCH)2(CSiC)	C(GaCC)(CH3)2(H)	C(CGaCH)(H)3	Ga(CCCH)2(CSiC)	113.4325	1.653	4	113.4325	2.731	4	113.4325	2.731	4	113.4325	2.731	4	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:4:4:	4:1:1:1:	3:4:4:	Ga-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(GaCC)(CH3)3	C(CGaCC)(H)3	Ga(CGeC)(CC3)2	C(GaCC)(CH3)3	C(CGaCC)(H)3	Ga(CGeC)(CC3)2	110.5022	3.319	12	110.5022	11.018	12	110.4752	7.288	24	110.3510	5.837	36	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:4:4:	4:1:1:1:	3:4:4:	Ga-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(GaCC)(CH3)3	C(CGaCC)(H)3	Ga(CSiC)(CC3)2	C(GaCC)(CH3)3	C(CGaCC)(H)3	Ga(CSiC)(CC3)2	110.1617	2.737	6	110.1617	7.493	6	110.4752	7.288	24	110.3510	5.837	36	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:4:4:	4:1:1:1:	3:4:4:	Ga-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(GaCC)(CH3)3	C(CGaCC)(H)3	Ga(CSi[4]C)(CC3)2	C(GaCC)(CH3)3	C(CGaCC)(H)3	Ga(CSi[4]C)(CC3)2	110.7348	1.262	6	110.7348	1.594	6	110.4752	7.288	24	110.3510	5.837	36	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:4:4:	4:1:1:1:	3:4:4:	Ga-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(GaCP)(CH3)3	C(CGaCC)(H)3	Ga(PC[5]Ga)(CC3)2	C(GaCP)(CH3)3	C(CGaCC)(H)3	Ga(PC[5]Ga)(CC3)2	110.1025	1.798	12	110.1025	3.232	12	110.1025	3.232	12	110.3510	5.837	36	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:4:4:	4:1:1:1:	4:4:4:	Ga-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(GaCC)(CH3)3	C(CGaCC)(H)3	Ga(CC3)3	C(GaCC)(CH3)3	C(CGaCC)(H)3	Ga(CC3)3	111.3805	3.223	18	111.3805	10.390	18	111.3805	10.390	18	111.1309	8.325	30	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	3:4:4:4:	4:1:1:1:	4:4:4:	Ga-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P-4:C-4:C-4:	C(GaCP)(CH3)3	C(CGaCC)(H)3	Ga(PGaSiH)(CC3)2	C(GaCP)(CH3)3	C(CGaCC)(H)3	Ga(PGaSiH)(CC3)2	110.7565	2.374	12	110.7565	5.636	12	110.7565	5.636	12	111.1309	8.325	30	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	4:3:1:1:	4:4:1:1:	3:3:4:	C-4:Ga-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-3:C-4:	C(CCHH)(GaCC)(H)2	C(CGaHH)(CH3)(H)2	Ga(CC[6a]C)2(CCHH)	C(CCHH)(GaCC)(H)2	C(CGaHH)(CH3)(H)2	Ga(CC[6a]C)2(CCHH)	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	111.7131	11.939	84	111.7131	11.939	84
490	490	969	0:SP3_SP-NON_SP3	C	C	Ga	4:4:3:3:	3:4:1:1:	4:4:4:	C-4:Si-4:Ga-3:Ga-3:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[6a]HH)(SiC3)(GaCC)2	C(C[6a]C[6a]2)(CGa2Si)(H)2	Ga(CGaSiC)(CCHH)2	C(CC[6a]HH)(SiC3)(GaCC)2	C(C[6a]C[6a]2)(CGa2Si)(H)2	Ga(CGaSiC)(CCHH)2	109.7790	2.230	2	109.7790	4.974	2	109.7790	4.974	2	109.7790	4.974	2	111.7131	11.939	84	111.7131	11.939	84
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:S-1:	C-4:H-1:H-1:S-1:	C-4:	C(CHHS)(H)2(S)	C(CHHS)(H)2(S)	S(CCHH)	C(CHHS)(H)2(S)	C(CHHS)(H)2(S)	S(CCHH)	112.4980	0.000	1	112.4980	0.000	1	112.4980	0.000	1	112.4980	0.000	1	111.5256	2.434	13	111.5256	2.434	13
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:H-1:S-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)2(S)	C(CHHS)(COO)(H)2	S(CCHH)	C(CCHH)(H)2(S)	C(CHHS)(COO)(H)2	S(CCHH)	111.5110	2.069	3	111.5110	4.282	3	111.5110	4.282	3	111.5110	4.282	3	111.5256	2.434	13	111.5256	2.434	13
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:S-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)2(S)	C(CHHS)(COO)(NCH)(H)	S(CCHH)	C(CCHN)(H)2(S)	C(CHHS)(COO)(NCH)(H)	S(CCHH)	113.4880	0.000	1	113.4880	0.000	1	113.4880	0.000	1	113.4880	0.000	1	111.5256	2.434	13	111.5256	2.434	13
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:S-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(S)	C(CCHH)(CHHS)(H)2	S(CCHH)	C(CCHH)(H)2(S)	C(CCHH)(CHHS)(H)2	S(CCHH)	113.1750	0.000	1	113.1750	0.000	1	113.1750	0.000	1	112.2350	0.671	3	111.5256	2.434	13	111.5256	2.434	13
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:S-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(H)2(S)	C(CHHS)(NCCH)(H)2	S(CCHH)	C(CHHN)(H)2(S)	C(CHHS)(NCCH)(H)2	S(CCHH)	111.8570	0.000	1	111.8570	0.000	1	111.7650	0.017	2	112.2350	0.671	3	111.5256	2.434	13	111.5256	2.434	13
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:S-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(H)2(S)	C(CHHS)(NH3)(H)2	S(CCHH)	C(CHHN)(H)2(S)	C(CHHS)(NH3)(H)2	S(CCHH)	111.6730	0.000	1	111.6730	0.000	1	111.7650	0.017	2	112.2350	0.671	3	111.5256	2.434	13	111.5256	2.434	13
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:1:1:1:	4:4:3:1:	4:	C-4:H-1:H-1:S-1:	C-4:N-4:C-3:H-1:	C-4:	C(CCHN)(H)2(S)	C(CHHS)(NH3)(COO)(H)	S(CCHH)	C(CCHN)(H)2(S)	C(CHHS)(NH3)(COO)(H)	S(CCHH)	112.9840	0.000	1	112.9840	0.000	1	112.9840	0.000	1	112.9840	0.000	1	111.5256	2.434	13	111.5256	2.434	13
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:S-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)(S)	C(N[5a]C[5a]2)(CCHS)(H)2	S(CCCH)	C(CN[5a]HH)(CH3)(H)(S)	C(N[5a]C[5a]2)(CCHS)(H)2	S(CCCH)	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	111.5256	2.434	13	111.5256	2.434	13
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:S-1:	C-4:H-1:H-1:H-1:	C-4:	C(CN[5a]HH)(CH3)(H)(S)	C(CCHS)(H)3	S(CCCH)	C(CN[5a]HH)(CH3)(H)(S)	C(CCHS)(H)3	S(CCCH)	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	110.2040	0.000	1	111.5256	2.434	13	111.5256	2.434	13
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:4:2:1:	4:1:1:1:	4:	C-4:C-4:S-2:S-1:	C-4:H-1:H-1:H-1:	C-4:	C(CCCF)(CH3)(SC)(S)	C(CCSS)(H)3	S(CCCS)	C(CCCF)(CH3)(SC)(S)	C(CCSS)(H)3	S(CCCS)	109.9970	0.000	1	109.9970	0.000	1	109.9970	0.000	1	109.9970	0.000	1	111.5256	2.434	13	111.5256	2.434	13
490	490	977	0:SP3_SP-NON_SP3	C	C	S	4:4:2:1:	4:4:3:1:	4:	C-4:C-4:S-2:S-1:	C-4:C-4:C-3:F-1:	C-4:	C(CCCF)(CH3)(SC)(S)	C(CCHH)(CCSS)(COO)(F)	S(CCCS)	C(CCCF)(CH3)(SC)(S)	C(CCHH)(CCSS)(COO)(F)	S(CCCS)	109.3890	0.000	1	109.3890	0.000	1	109.3890	0.000	1	109.3890	0.000	1	111.5256	2.434	13	111.5256	2.434	13
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:1:1:	4:1:1:1:	4:4:4:	Si-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:	C(SiC[6]C)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6]C[6]2H)(CCHH)2	C(SiC[6]C)(CH3)(H)2	C(CSiHH)(H)3	Si(C[6]C[6]2H)(CCHH)2	114.5826	0.966	8	114.5826	0.934	8	114.5826	0.934	8	114.5826	0.934	8	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:1:1:	4:4:1:1:	3:3:4:	Si-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:Si-3:C-4:	C(SiC[6a]Si)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(C[6a]C[6a]2)(SiC[6a]Br)(CCHH)	C(SiC[6a]Si)(CCHH)(H)2	C(CSiHH)(CCHH)(H)2	Si(C[6a]C[6a]2)(SiC[6a]Br)(CCHH)	114.7920	0.000	1	114.7920	0.000	1	114.7920	0.000	1	114.7920	0.000	1	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:1:1:	4:4:1:1:	4:4:4:	Si-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	Si[4]-4:Si[4]-4:C-4:	C(SiSi[4]2)(CBHH)(H)2	C(BC[6a]3)(CSiHH)(H)2	Si(Si[4]C[6a]N[4]2)2(CCHH)	C(SiSi[4]2)(CBHH)(H)2	C(BC[6a]3)(CSiHH)(H)2	Si(Si[4]C[6a]N[4]2)2(CCHH)	112.5290	0.000	1	112.5290	0.000	1	112.5290	0.000	1	112.5290	0.000	1	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:4:1:	4:1:1:1:	3:3:4:	Si-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:Si[5]-3:C-4:	C(SiC[6a]Si[5])(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(Si[5]C[5]2)(CCCH)	C(SiC[6a]Si[5])(CH3)2(H)	C(CSiCH)(H)3	Si(C[6a]C[6a]2)(Si[5]C[5]2)(CCCH)	113.5630	3.466	4	113.5630	12.010	4	113.5630	12.010	4	113.5630	12.010	4	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:4:1:	4:1:1:1:	4:4:4:	Si-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(SiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3	C(SiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CCCH)3	113.8637	3.458	12	113.8637	11.960	12	113.4989	9.479	16	113.4989	9.479	16	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:4:1:	4:1:1:1:	4:4:4:	Si-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(SiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CSi2H)2(CCCH)	C(SiCC)(CH3)2(H)	C(CSiCH)(H)3	Si(CSi2H)2(CCCH)	112.4042	1.187	4	112.4042	1.408	4	113.4989	9.479	16	113.4989	9.479	16	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:4:4:	4:1:1:1:	3:3:4:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(SiC[6a]2)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)	C(SiC[6a]2)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)2(CC3)	110.8380	4.419	3	110.8380	19.523	3	110.8380	19.523	3	110.4142	8.223	6	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:4:4:	4:1:1:1:	3:3:4:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:Si[5]-3:C-4:	C(SiC[6a]Si[5])(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a,6a]2)(Si[5]C[5]2)(CC3)	C(SiC[6a]Si[5])(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a,6a]2)(Si[5]C[5]2)(CC3)	109.9903	0.704	3	109.9903	0.496	3	109.9903	0.496	3	110.4142	8.223	6	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:4:4:	4:1:1:1:	3:4:2:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-2:	C(SiC[6a]C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CC3)(CC)	C(SiC[6a]C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CC3)(CC)	109.9103	1.806	3	109.9103	3.261	3	109.9103	3.261	3	109.9103	3.261	3	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:4:4:	4:1:1:1:	3:4:4:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(SiC[6a]C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CC3)2	C(SiC[6a]C)(CH3)3	C(CSiCC)(H)3	Si(C[6a]C[6a]2)(CC3)2	112.0424	1.881	24	112.0424	3.538	24	112.0424	3.538	24	112.0424	3.538	24	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:4:4:	4:1:1:1:	4:4:4:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(SiCC)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(CH3)	C(SiCC)(CH3)3	C(CSiCC)(H)3	Si(CC3)2(CH3)	111.1879	2.869	36	111.1879	8.233	36	111.8933	5.159	89	111.8933	5.159	89	112.1971	5.949	152	112.1971	5.949	152
490	490	979	0:SP3_SP2_SP3	C	C	Si	3:4:4:4:	4:1:1:1:	4:4:4:	Si-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(SiCC)(CH3)3	C(CSiCC)(H)3	Si(CC3)3	C(SiCC)(CH3)3	C(CSiCC)(H)3	Si(CC3)3	112.3725	1.616	53	112.3725	2.610	53	111.8933	5.159	89	111.8933	5.159	89	112.1971	5.949	152	112.1971	5.949	152
490	490	980	0:SP3_SP3_SP3	C	C	N[4,5]	4:4:4:4:	4:1:1:1:	4:4:3:4:	N[4,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[4,5,5]-4:Ga[4]-4:C[5]-3:C-4:	C(N[4,5]Ga[4,5,5]Ga[4]C[5])(CH3)3	C(CN[4,5]CC)(H)3	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3)	C(N[4,5]Ga[4,5,5]Ga[4]C[5])(CH3)3	C(CN[4,5]CC)(H)3	N[4,5](Ga[4,5,5]N[4,5]N[5]2)(Ga[4]N[4,5]Cl2)(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	108.9181	3.413	42	108.9181	11.649	42	108.9181	11.649	42	108.9098	10.898	45	108.9098	10.898	45	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4,5]	4:4:4:4:	4:1:1:1:	4:4:3:4:	N[4,5]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si[4,5]-4:Si[4,5]-4:C[5]-3:C-4:	C(N[4,5]Si[4,5]2C[5])(CH3)3	C(CN[4,5]CC)(H)3	N[4,5](Si[4,5]N[4,5]N[5]N)2(C[5]C[5]H)(CC3)	C(N[4,5]Si[4,5]2C[5])(CH3)3	C(CN[4,5]CC)(H)3	N[4,5](Si[4,5]N[4,5]N[5]N)2(C[5]C[5]H)(CC3){1|H<1>,2|C<3>,3|C<4>}	108.7933	0.967	3	108.7933	0.935	3	108.7933	0.935	3	108.9098	10.898	45	108.9098	10.898	45	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	3:4:4:1:	4:1:1:1:	4:4:4:4:	C[6a]-3:N[4]-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-4:C[4]-4:C-4:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2C)(CH3)(H)	C(CC[6a]N[4]H)(H)3	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)	C(CC[6a]N[4]H)(H)3	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)(CH3){2|H<1>}	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[4]-4:C[4]-4:C-4:C-4:	C(N[4]B[4]C[4]C)(CH3)(H)2	C(CN[4]HH)(H)3	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	C(CN[4]HH)(H)3	N[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4]H)(CCHH)2{2|H<1>,6|C<3>}	115.4580	1.219	6	115.4580	1.487	6	115.4580	1.487	6	114.7707	1.220	14	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:C-4:	C(N[4]Ga[4]2C)(CH3)(H)2	C(CN[4]HH)(H)3	N[4](Ga[4]N[4]CH)2(CCHH)2	C(N[4]Ga[4]2C)(CH3)(H)2	C(CN[4]HH)(H)3	N[4](Ga[4]N[4]CH)2(CCHH)2{2|C<4>}	114.0480	0.564	2	114.0480	0.318	2	114.2553	0.495	8	114.7707	1.220	14	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:C-4:	C(N[4]Ga[4]2C)(CH3)(H)2	C(CN[4]HH)(H)3	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2	C(N[4]Ga[4]2C)(CH3)(H)2	C(CN[4]HH)(H)3	N[4](Ga[4]N[4]Cl2)(Ga[4]N[4]ClC)(CCHH)2{2|C<4>}	114.2855	0.954	4	114.2855	0.910	4	114.2553	0.495	8	114.7707	1.220	14	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:1:1:	4:1:1:1:	4:4:4:4:	N[4]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:C-4:	C(N[4]Ga[4]2C)(CH3)(H)2	C(CN[4]HH)(H)3	N[4](Ga[4]N[4]ClC)2(CCHH)2	C(N[4]Ga[4]2C)(CH3)(H)2	C(CN[4]HH)(H)3	N[4](Ga[4]N[4]ClC)2(CCHH)2{2|C<4>}	114.4020	0.533	2	114.4020	0.284	2	114.2553	0.495	8	114.7707	1.220	14	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[4]-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4,6]-4:C[4]-4:C-4:H-1:	C(N[4]C[4,6]C[4]H)(CCHH)(H)2	C(CN[4]HH)(CCHH)(H)2	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	C(CN[4]HH)(CCHH)(H)2	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>}	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	108.9900	0.000	1	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[4]-4:C-4:H-1:H-1:	C-4:P-4:H-1:H-1:	B[4]-4:B[4]-4:C-4:C-4:	C(N[4]B[4]2C)(CHHP)(H)2	C(CN[4]HH)(PC[6]2B)(H)2	N[4](B[4]N[4]HH)2(CCHH)2	C(N[4]B[4]2C)(CHHP)(H)2	C(CN[4]HH)(PC[6]2B)(H)2	N[4](B[4]N[4]HH)2(CCHH)2{2|C<4>}	113.1925	0.630	2	113.1925	0.397	2	113.1925	0.397	2	113.1925	0.397	2	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:1:1:	4:4:4:4:	4:4:4:1:	N[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	C(N[4]Ga[4]2H)(CC3)(H)2	C(CN[4]HH)(CHHN)(CH3)2	N[4](Ga[4]N[4]ClH)2(CCHH)(H)	C(N[4]Ga[4]2H)(CC3)(H)2	C(CN[4]HH)(CHHN)(CH3)2	N[4](Ga[4]N[4]ClH)2(CCHH)(H){1|C<4>,1|H<1>}	116.3130	0.000	1	116.3130	0.000	1	115.8560	0.418	2	115.8560	0.418	2	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:1:1:	4:4:4:4:	4:4:4:1:	N[4]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	Ga[4]-4:Ga[4]-4:C-4:H-1:	C(N[4]Ga[4]2H)(CC3)(H)2	C(CN[4]HH)(CHHN)(CH3)2	N[4](Ga[4]N[4]HH)2(CCHH)(H)	C(N[4]Ga[4]2H)(CC3)(H)2	C(CN[4]HH)(CHHN)(CH3)2	N[4](Ga[4]N[4]HH)2(CCHH)(H){1|C<4>,1|H<1>}	115.3990	0.000	1	115.3990	0.000	1	115.8560	0.418	2	115.8560	0.418	2	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:4:4:	4:1:1:1:	4:4:4:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[4]-4:B[4]-4:C-4:H-1:	C(N[4]B[4]2H)(CH3)3	C(CN[4]CC)(H)3	N[4](B[4]N[4]HH)2(CC3)(H)	C(N[4]B[4]2H)(CH3)3	C(CN[4]CC)(H)3	N[4](B[4]N[4]HH)2(CC3)(H){1|C<4>,1|H<1>}	109.0193	2.677	3	109.0193	7.165	3	109.0193	7.165	3	108.7942	2.560	9	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:4:4:	4:1:1:1:	4:4:4:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	C(N[4]Ga[4]2H)(CH3)3	C(CN[4]CC)(H)3	N[4](Ga[4]N[4]Cl2)2(CC3)(H)	C(N[4]Ga[4]2H)(CH3)3	C(CN[4]CC)(H)3	N[4](Ga[4]N[4]Cl2)2(CC3)(H){1|C<4>,1|H<1>}	108.3303	1.180	3	108.3303	1.393	3	108.6817	1.185	6	108.7942	2.560	9	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:4:4:	4:1:1:1:	4:4:4:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:H-1:	C(N[4]Ga[4]2H)(CH3)3	C(CN[4]CC)(H)3	N[4](Ga[4]N[4]HH)2(CC3)(H)	C(N[4]Ga[4]2H)(CH3)3	C(CN[4]CC)(H)3	N[4](Ga[4]N[4]HH)2(CC3)(H){1|C<4>,1|H<1>}	109.0330	1.095	3	109.0330	1.199	3	108.6817	1.185	6	108.7942	2.560	9	112.1813	10.134	32	110.2694	13.076	77
490	490	980	0:SP3_SP3_SP3	C	C	N[4]	4:4:4:4:	4:1:1:1:	5:4:4:1:	N[4]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[3,3,4]-5:Ga[4]-4:C-4:H-1:	C(N[4]Ga[3,3,4]Ga[4]H)(CH3)3	C(CN[4]CC)(H)3	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H)	C(N[4]Ga[3,3,4]Ga[4]H)(CH3)3	C(CN[4]CC)(H)3	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H){1|C<3>,2|C<4>}	108.6103	0.653	3	108.6103	0.427	3	108.6103	0.427	3	108.6103	0.427	3	112.1813	10.134	32	110.2694	13.076	77
490	490	982	0:SP3_SP3_SPD5	C	C	Ge[3,3]	5:4:4:4:	4:1:1:1:	3:3:4:4:2:	Ge[3,3]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[3]-3:N[3]-3:B[3,3]-4:C-4:C-2:	C(Ge[3,3]B[3,3]N[3]2C)(CH3)3	C(CGe[3,3]CC)(H)3	Ge[3,3](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(CC3)(CN)	C(Ge[3,3]B[3,3]N[3]2C)(CH3)3	C(CGe[3,3]CC)(H)3	Ge[3,3](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(CC3)(CN){4|C<3>}	108.6233	0.842	3	108.6233	0.710	3	108.6233	0.710	3	108.6233	0.710	3	108.6233	0.710	3	110.6928	8.386	5
490	490	982	0:SP3_SP3_SPD5	C	C	Ge[3,4,4,3x5,4x6]	5:4:1:1:	4:1:1:1:	5:4:3:2:4:	Ge[3,4,4,3x5,4x6]-5:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	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	C(CGe[3,4,4,3x5,4x6]HH)(H)3	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	C(CGe[3,4,4,3x5,4x6]HH)(H)3	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>}	113.7970	0.058	2	113.7970	0.003	2	113.7970	0.003	2	113.7970	0.003	2	113.7970	0.003	2	110.6928	8.386	5
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:1:1:	4:2:1:1:	3:4:	C-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:	C(CC[5a])(CHHO)(H)2	C(CCHH)(OH)(H)2	C(C[5a]C[5a]2)(CCHH)	C(CC[5a])(CHHO)(H)2	C(CCHH)(OH)(H)2	C(C[5a]C[5a]2)(CCHH)	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:1:1:	4:3:1:1:	3:4:	C-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a])(CHHN)(H)2	C(CCHH)(NCH)(H)2	C(C[6a]C[6a]2)(CCHH)	C(CC[6a])(CHHN)(H)2	C(CCHH)(NCH)(H)2	C(C[6a]C[6a]2)(CCHH)	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	107.1690	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:1:1:	4:4:1:1:	3:4:	C-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:	C(CN[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)	C(CN[5])(CCHH)(H)2	C(CCHH)(CH3)(H)2	C(N[5]C[5]2)(CCHH)	110.1400	0.000	1	110.1400	0.000	1	111.8565	5.893	2	111.8565	5.893	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:1:1:	4:4:1:1:	3:4:	C-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5]-3:C-4:	C(CN[5])(CCHH)(H)2	C(CCHH)2(H)2	C(N[5]Ga[5,5]C[5])(CCHH)	C(CN[5])(CCHH)(H)2	C(CCHH)2(H)2	C(N[5]Ga[5,5]C[5])(CCHH)	113.5730	0.000	1	113.5730	0.000	1	111.8565	5.893	2	111.8565	5.893	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:2:1:	4:4:1:1:	2:4:	O-2:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(OC[6])(CCHH)(CC)(H)	C(CCHH)(CCHO)(H)2	C(CC[6a])(CCHO)	C(OC[6])(CCHH)(CC)(H)	C(CCHH)(CCHO)(H)2	C(CC[6a])(CCHO)	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:3:1:	4:4:1:1:	3:4:	C-2:C-4:N-3:H-1:	C-4:O-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a])(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	C(C[6a]C[6a]2)(CCHN)	C(CC[6a])(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	C(C[6a]C[6a]2)(CCHN)	128.6550	0.000	1	128.6550	0.000	1	128.6550	0.000	1	128.6550	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:3:1:	4:4:1:1:	4:4:	C-2:C-4:N-3:H-1:	C-4:O-4:H-1:H-1:	C[6]-4:C-4:	C(CC[6])(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	C(C[6]C[6]2H)(CCHN)	C(CC[6])(CHHO)(NNiC)(H)	C(CCHN)(ONi3)(H)2	C(C[6]C[6]2H)(CCHN)	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:4:2:	4:1:1:1:	4:1:	O-2:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(OC[6a])(CH3)2(CN)	C(CCCO)(H)3	C(CCCO)(N)	C(OC[6a])(CH3)2(CN)	C(CCCO)(H)3	C(CCCO)(N)	108.7465	0.252	2	108.7465	0.064	2	108.7465	0.064	2	108.7465	0.064	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:4:2:	4:1:1:1:	4:2:	O-2:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(H)3	C(CCCO)(CH)	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(H)3	C(CCCO)(CH)	110.4828	0.730	6	110.4828	0.532	6	110.4828	0.532	6	110.4828	0.532	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:4:2:	4:1:1:1:	4:4:	O-2:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(OC[6a])(CH3)2(CC)	C(CCCO)(H)3	C(CCCO)(CH3)	C(OC[6a])(CH3)2(CC)	C(CCCO)(H)3	C(CCCO)(CH3)	110.3280	0.703	2	110.3280	0.494	2	110.3280	0.494	2	110.3280	0.494	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:4:2:	4:3:3:1:	4:2:	O-2:C-4:C-4:C-2:	C-4:C-3:N-3:H-1:	C-4:C-2:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CNO)(NHS)(H)	C(CCCO)(CH)	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CNO)(NHS)(H)	C(CCCO)(CH)	109.7390	0.000	1	109.7390	0.000	1	109.3965	0.235	2	109.3965	0.235	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:4:2:	4:3:3:1:	4:2:	O-2:C-4:C-4:C-2:	C-4:C-3:N-3:H-1:	C-4:C-2:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(COO)(NHS)(H)	C(CCCO)(CH)	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(COO)(NHS)(H)	C(CCCO)(CH)	109.0540	0.000	1	109.0540	0.000	1	109.3965	0.235	2	109.3965	0.235	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	2:4:4:2:	4:4:3:1:	4:2:	O-2:C-4:C-4:C-2:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CHHO)(NHS)(H)	C(CCCO)(CH)	C(OC[6a])(CCHN)(CH3)(CC)	C(CCCO)(CHHO)(NHS)(H)	C(CCCO)(CH)	108.9597	0.523	4	108.9597	0.273	4	108.9597	0.273	4	108.9597	0.273	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:2:4:2:	4:1:1:1:	4:1:	C[6a]-3:S-2:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(SC[6a])(CH3)(CN)	C(CC[6a]CS)(H)3	C(CC[6a]CS)(N)	C(C[6a]C[6a]2)(SC[6a])(CH3)(CN)	C(CC[6a]CS)(H)3	C(CC[6a]CS)(N)	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:1:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:F-1:F-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)2(CFFH)(CN)	C(CC[6a]2C)(F)2(H)	C(CC[6a]2C)(N)	C(C[6a]C[6a]2)2(CFFH)(CN)	C(CC[6a]2C)(F)2(H)	C(CC[6a]2C)(N)	104.9520	0.000	1	104.9520	0.000	1	104.9520	0.000	1	106.1125	2.694	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:1:1:1:	4:1:	C[6a]-3:N-3:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(NC[6a]H)(CH3)(CN)	C(CC[6a]CN)(H)3	C(CC[6a]CN)(N)	107.2730	0.000	1	107.2730	0.000	1	107.2730	0.000	1	106.1125	2.694	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:1:1:1:	4:2:	C[5a]-3:C[5a]-3:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[5a]C[5a]N[5a])2(CH3)(CC)	C(CC[5a]2C)(H)3	C(CC[5a]2C)(CC[6a])	C(C[5a]C[5a]N[5a])2(CH3)(CC)	C(CC[5a]2C)(H)3	C(CC[5a]2C)(CC[6a])	107.7236	1.025	5	107.7236	1.050	5	108.3623	1.142	9	108.2629	1.114	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:1:1:1:	4:2:	C[5a]-3:C[5a]-3:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[5a]C[5a]N[5a])2(CH3)(CC)	C(CC[5a]2C)(H)3	C(CC[5a]2C)(CH)	C(C[5a]C[5a]N[5a])2(CH3)(CC)	C(CC[5a]2C)(H)3	C(CC[5a]2C)(CH)	108.9685	0.390	2	108.9685	0.152	2	108.3623	1.142	9	108.2629	1.114	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:1:1:1:	4:2:	C[5a]-3:C[5a]-3:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[5a]C[5a]N[5a])2(CH3)(CC)	C(CC[5a]2C)(H)3	C(CC[5a]2C)(CSi)	C(C[5a]C[5a]N[5a])2(CH3)(CC)	C(CC[5a]2C)(H)3	C(CC[5a]2C)(CSi)	109.3530	0.211	2	109.3530	0.044	2	108.3623	1.142	9	108.2629	1.114	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:1:1:1:	4:2:	C[5a]-3:C[6a]-3:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	C(CC[5a]C[6a]C)(H)3	C(CC[5a]C[6a]C)(CC[6a])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)(CC)	C(CC[5a]C[6a]C)(H)3	C(CC[5a]C[6a]C)(CC[6a])	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	108.2629	1.114	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:2:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:C-2:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)2(CCHH)(CN)	C(CC[6a]2C)(CC)(H)2	C(CC[6a]2C)(N)	C(C[6a]C[6a]2)2(CCHH)(CN)	C(CC[6a]2C)(CC)(H)2	C(CC[6a]2C)(N)	104.7080	0.000	1	104.7080	0.000	1	104.7080	0.000	1	104.7080	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:2:1:1:	4:2:	C[6a]-3:N-3:C-4:C-2:	C-4:O-2:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	C(CC[6a]CN)(OS)(H)2	C(CC[6a]CN)(CH)	C(C[6a]C[6a]2)(NC[6a]H)(CHHO)(CC)	C(CC[6a]CN)(OS)(H)2	C(CC[6a]CN)(CH)	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:3:1:1:	4:1:	N[5]-3:C[6a]-3:C-4:C-2:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]N[5]C)(CCH)(H)2	C(CC[6a]N[5]C)(N)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]N[5]C)(CCH)(H)2	C(CC[6a]N[5]C)(N)	106.2490	0.000	1	106.2490	0.000	1	106.2490	0.000	1	106.2490	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:3:1:1:	4:2:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:C-3:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)2(CCHH)(CC)	C(CC[6a]2C)(CCO)(H)2	C(CC[6a]2C)(CRu)	C(C[6a]C[6a]2)2(CCHH)(CC)	C(CC[6a]2C)(CCO)(H)2	C(CC[6a]2C)(CRu)	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6]-3:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6]C[6]N[6])2(CCHH)(CN)	C(CC[6]2C)(CCHH)(H)2	C(CC[6]2C)(N)	C(C[6]C[6]N[6])2(CCHH)(CN)	C(CC[6]2C)(CCHH)(H)2	C(CC[6]2C)(N)	106.2105	1.023	2	106.2105	1.047	2	106.2105	1.047	2	107.4218	2.577	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:4:1:1:	4:1:	C[6]-3:C[6a]-3:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]C[6]C)(CCHH)(H)2	C(CC[6a]C[6]C)(N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]C[6]C)(CCHH)(H)2	C(CC[6a]C[6]C)(N)	104.5540	0.000	1	104.5540	0.000	1	104.5540	0.000	1	107.4218	2.577	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)2(CCHH)(CN)	C(CC[6a]2C)(CCHN)(H)2	C(CC[6a]2C)(N)	C(C[6a]C[6a]2)2(CCHH)(CN)	C(CC[6a]2C)(CCHN)(H)2	C(CC[6a]2C)(N)	108.6160	0.000	1	108.6160	0.000	1	108.6410	0.082	5	107.4218	2.577	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	C(CC[6a]2C)(CCHH)(H)2	C(CC[6a]2C)(N)	C(C[6a]C[6a]N[6a])2(CCHH)(CN)	C(CC[6a]2C)(CCHH)(H)2	C(CC[6a]2C)(N)	108.6472	0.330	4	108.6472	0.109	4	108.6410	0.082	5	107.4218	2.577	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:4:1:1:	4:1:	N[5a]-3:C[6a]-3:C-4:C-2:	C-4:C-4:F-1:H-1:	C-4:N-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	C(CC[6a]N[5a]C)(CH3)(F)(H)	C(CC[6a]N[5a]C)(N)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCFH)(CN)	C(CC[6a]N[5a]C)(CH3)(F)(H)	C(CC[6a]N[5a]C)(N)	106.6160	0.000	1	106.6160	0.000	1	106.6160	0.000	1	107.4218	2.577	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:4:4:1:	4:1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:C-4:C-4:H-1:	C-4:N-1:	C(C[6a]C[6a]2)2(CCCH)(CN)	C(CC[6a]2C)(CH3)2(H)	C(CC[6a]2C)(N)	C(C[6a]C[6a]2)2(CCCH)(CN)	C(CC[6a]2C)(CH3)2(H)	C(CC[6a]2C)(N)	106.6500	0.000	1	106.6500	0.000	1	106.6500	0.000	1	107.0475	0.316	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:3:4:2:	4:4:4:1:	4:1:	C[6a]-3:N-3:C-4:C-2:	C-4:C-4:C-4:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C(CC[6a]CN)(CHHN)(CC3)(H)	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	C(CC[6a]CN)(CHHN)(CC3)(H)	C(CC[6a]CN)(N)	107.4450	0.000	1	107.4450	0.000	1	107.4450	0.000	1	107.0475	0.316	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:1:1:	4:1:	C-3:C-4:C-2:H-1:	C-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]O)(CCHH)(CN)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(N)	C(CC[6a]O)(CCHH)(CN)(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(N)	111.0380	0.000	1	111.0380	0.000	1	111.0380	0.000	1	109.8673	2.158	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	C(C[6]C[6]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6]HH)(CN)(H)	C(C[6]C[6]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(N)	108.2190	0.000	1	108.2190	0.000	1	108.2190	0.000	1	109.8673	2.158	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(N)	110.3450	0.000	1	110.3450	0.000	1	110.3450	0.000	1	109.8673	2.158	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:1:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	C(CC[6a]CH)(CC[3])	C(C[6a]C[6a]2)(CC[5]HH)(CC)(H)	C(C[5]C[5,6a]N[5])(CC[6a]CH)(H)2	C(CC[6a]CH)(CC[3])	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	113.9510	13.572	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:1:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(NRu)	C(C[6a]C[6a]2)(CC[6a]HH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(H)2	C(CC[6a]CH)(NRu)	116.5560	0.000	1	116.5560	0.000	1	116.5560	0.000	1	113.9510	13.572	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:2:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]HO)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(OH)(H)	C(CC[6a]CH)(N)	108.9627	1.111	6	108.9627	1.235	6	108.9627	1.235	6	108.9627	1.235	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:2:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C(CC[6a]CH)(CC)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C(CC[6a]CH)(CC)	108.4310	1.185	2	108.4310	1.404	2	109.9225	4.322	4	109.9225	4.322	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:2:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C(CC[6a]CH)(CH)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CC)(H)	C(CC[6a]CH)(CH)	111.4140	1.632	2	111.4140	2.663	2	109.9225	4.322	4	109.9225	4.322	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:3:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)(H)	C(CC[6a]CH)(N)	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:4:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]CH)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCHN)(H)	C(CC[6a]CH)(N)	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	3:4:4:3:	4:1:	C[6a]-3:C-4:C-2:H-1:	C[6a]-3:C-4:C-4:C-3:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(COO)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CH3)(COO)	C(CC[6a]CH)(N)	110.9145	0.651	2	110.9145	0.424	2	110.9145	0.424	2	110.9145	0.424	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CH3)(CN)(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CH3)(CN)(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(N)	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	109.9870	4.118	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:1:1:1:	4:1:	N[5]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(N[5]C[5]2)(CH3)(CN)(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(N)	C(N[5]C[5]2)(CH3)(CN)(H)	C(CN[5]CH)(H)3	C(CN[5]CH)(N)	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	109.9870	4.118	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(CSi)	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	C(CC[6a]CH)(H)3	C(CC[6a]CH)(CSi)	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.7905	0.187	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:1:1:1:	4:2:	N[6,6]-3:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	C(CN[6,6]CH)(H)3	C(CN[6,6]CH)(CH)	C(N[6,6]C[6,6]2)(CH3)(CC)(H)	C(CN[6,6]CH)(H)3	C(CN[6,6]CH)(CH)	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	109.7905	0.187	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:2:1:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-2:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CN)(H)2	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CN)(H)2	C(CC[6a]CH)(N)	109.1070	1.526	2	109.1070	2.328	2	109.1070	2.328	2	109.1070	2.328	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(N)	110.0772	0.285	5	110.0772	0.081	5	110.3658	0.565	6	110.3658	0.565	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CN[5a]O)(H)2	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CN[5a]O)(H)2	C(CC[6a]CH)(N)	111.8090	0.000	1	111.8090	0.000	1	110.3658	0.565	6	110.3658	0.565	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:3:1:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CCO)(H)2	C(CC[6a]CH)(CC)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CCO)(H)2	C(CC[6a]CH)(CC)	110.8830	0.000	1	110.8830	0.000	1	110.8618	0.944	4	110.8618	0.944	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:3:1:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(CC[6a])	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CC[6a]O)(H)2	C(CC[6a]CH)(CC[6a])	109.8710	0.000	1	109.8710	0.000	1	110.8618	0.944	4	110.8618	0.944	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:3:1:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CNS)(H)2	C(CC[6a]CH)(CC[6a])	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CNS)(H)2	C(CC[6a]CH)(CC[6a])	110.5160	0.000	1	110.5160	0.000	1	110.8618	0.944	4	110.8618	0.944	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:3:1:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CNS)(H)2	C(CC[6a]CH)(CSi)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CNS)(H)2	C(CC[6a]CH)(CSi)	112.1770	0.000	1	112.1770	0.000	1	110.8618	0.944	4	110.8618	0.944	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:3:4:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:C-3:C-4:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCCH)(CC)(H)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(CC[6a]CH)(CH)	C(C[6a]C[6a]2)(CCCH)(CC)(H)	C(CC[6a]CH)(CC[6a]O)(CH3)(H)	C(CC[6a]CH)(CH)	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:1:	C[5a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	C(CC[5a]CH)(CCHH)(H)2	C(CC[5a]CH)(N)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CN)(H)	C(CC[5a]CH)(CCHH)(H)2	C(CC[5a]CH)(N)	109.7420	0.000	1	109.7420	0.000	1	110.4850	1.104	2	111.0140	1.261	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:1:	C[5a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	C(CC[5a]CH)(CC[5]HH)(H)2	C(CC[5a]CH)(N)	C(C[5a]C[5a]N[5a])(CCHH)(CN)(H)	C(CC[5a]CH)(CC[5]HH)(H)2	C(CC[5a]CH)(N)	111.2280	0.000	1	111.2280	0.000	1	110.4850	1.104	2	111.0140	1.261	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CCFH)(H)2	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CCFH)(H)2	C(CC[6a]CH)(N)	110.1540	0.000	1	110.1540	0.000	1	111.3773	1.275	6	111.0140	1.261	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CCHH)(H)2	C(CC[6a]CH)(N)	109.9340	0.000	1	109.9340	0.000	1	111.3773	1.275	6	111.0140	1.261	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CF3)(H)2	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CF3)(H)2	C(CC[6a]CH)(N)	112.4010	0.660	2	112.4010	0.436	2	111.3773	1.275	6	111.0140	1.261	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CHHN)(H)2	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CC[6a]CH)(CHHN)(H)2	C(CC[6a]CH)(N)	111.6870	0.267	2	111.6870	0.071	2	111.3773	1.275	6	111.0140	1.261	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:1:	N-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(NC[6a]H)(CCHH)(CN)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(N)	C(NC[6a]H)(CCHH)(CN)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(N)	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	111.0140	1.261	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CBrHH)(H)2	C(CC[6a]CH)(CSi)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CBrHH)(H)2	C(CC[6a]CH)(CSi)	110.9930	0.000	1	110.9930	0.000	1	110.6353	0.121	3	110.6308	1.015	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CC3)(H)2	C(CC[6a]CH)(CC[6a])	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CC3)(H)2	C(CC[6a]CH)(CC[6a])	110.2990	0.000	1	110.2990	0.000	1	110.6353	0.121	3	110.6308	1.015	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CCCO)(H)2	C(CC[6a]CH)(CRu)	C(C[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]CH)(CCCO)(H)2	C(CC[6a]CH)(CRu)	110.6140	0.000	1	110.6140	0.000	1	110.6353	0.121	3	110.6308	1.015	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:2:	C[6a]-3:C-4:C-2:O-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CC)(O)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CCHH)(CC)(O)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(CC[6a])	109.7385	0.325	2	109.7385	0.105	2	109.7385	0.105	2	110.6308	1.015	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:1:1:	4:2:	N[6a]-3:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(N[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]HH)(CN[6a]CH)(H)2	C(CN[6a]CH)(CH)	C(N[6a]C[6a]2)(CCHH)(CC)(H)	C(CC[6a]HH)(CN[6a]CH)(H)2	C(CN[6a]CH)(CH)	112.4020	0.000	1	112.4020	0.000	1	112.4020	0.000	1	110.6308	1.015	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:2:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:O-2:H-1:	C-4:N-1:	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	C(CC[6a]CH)(CC3)(OC)(H)	C(CC[6a]CH)(N)	C(C[6a]C[6a,6a]C[6a])(CCHO)(CN)(H)	C(CC[6a]CH)(CC3)(OC)(H)	C(CC[6a]CH)(N)	112.6850	0.000	1	112.6850	0.000	1	112.3395	0.239	2	112.3395	0.239	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:2:1:	4:1:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:O-2:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHO)(CN)(H)	C(CC[6a]CH)(CC3)(OH)(H)	C(CC[6a]CH)(N)	C(C[6a]C[6a]2)(CCHO)(CN)(H)	C(CC[6a]CH)(CC3)(OH)(H)	C(CC[6a]CH)(N)	111.9940	0.000	1	111.9940	0.000	1	112.3395	0.239	2	112.3395	0.239	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:3:1:	4:1:	C[5a]-3:C-4:C-2:H-1:	C-4:C-4:N-3:H-1:	C-4:N-1:	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(CC[5a]CH)(N)	C(C[5a]C[5a,6a]C[5a])(CCHN)(CN)(H)	C(CC[5a]CH)(CC[5a]HH)(NCH)(H)	C(CC[5a]CH)(N)	108.5620	1.467	2	108.5620	2.151	2	108.5620	2.151	2	108.8760	1.371	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:3:1:	4:1:	N-3:C-4:C-2:H-1:	C-4:C-4:C-3:H-1:	C-4:N-1:	C(NC[6a]C)(CCCH)(CN)(H)	C(CCHN)(CH3)(CCH)(H)	C(CCHN)(N)	C(NC[6a]C)(CCCH)(CN)(H)	C(CCHN)(CH3)(CCH)(H)	C(CCHN)(N)	109.5040	0.000	1	109.5040	0.000	1	109.5040	0.000	1	108.8760	1.371	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:4:1:	4:1:	N[6]-3:C-4:C-2:H-1:	C-4:C-4:C-4:H-1:	C-4:N-1:	C(N[6]C[6]2)(CCCH)(CN)(H)	C(CN[6]CH)(CH3)2(H)	C(CN[6]CH)(N)	C(N[6]C[6]2)(CCCH)(CN)(H)	C(CN[6]CH)(CH3)2(H)	C(CN[6]CH)(N)	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	109.3240	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:1:	4:4:4:4:	4:2:	C[6a]-3:C-4:C-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(C[6a]C[6a]2)(CC3)(CC)(H)	C(CC[6a]CH)(CH3)3	C(CC[6a]CH)(CC[6a])	C(C[6a]C[6a]2)(CC3)(CC)(H)	C(CC[6a]CH)(CH3)3	C(CC[6a]CH)(CC[6a])	111.1423	0.694	3	111.1423	0.482	3	111.1423	0.482	3	111.1423	0.482	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	3:4:1:1:	4:1:	C[6]-3:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(CC[6]CC)(N)	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CC[6]CC)(H)2	C(CC[6]CC)(N)	107.7640	0.304	4	107.7640	0.093	4	107.7640	0.093	4	107.7640	0.093	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	3:4:1:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(CC[6a]CO)(CH)	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(H)2	C(CC[6a]CO)(CH)	110.7705	0.808	2	110.7705	0.653	2	109.9047	2.576	3	109.8708	1.298	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	3:4:1:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C(CC[6a]CO)(CSi)	C(C[6a]C[6a]2)(CC[6a]HH)(CC)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C(CC[6a]CO)(CSi)	108.1730	0.000	1	108.1730	0.000	1	109.9047	2.576	3	109.8708	1.298	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	3:4:1:1:	4:2:	C[6a]-3:C-4:O-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C(CC[6a]CO)(CSi)	C(C[6a]C[6a]2)(CC[6a]HH)(OSi[5])(CC)	C(C[6a]C[6a]N[6a])(CC[6a]CO)(H)2	C(CC[6a]CO)(CSi)	109.8200	0.175	2	109.8200	0.031	2	109.8200	0.031	2	109.8708	1.298	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	3:4:2:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]HO)(CC)(OH)	C(C[6a]C[6a]2)(CC[6a]CO)(OH)(H)	C(CC[6a]CO)(CC[6a])	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	3:4:2:2:	4:1:	C-3:C-4:C-2:C-2:	C-3:C-4:C-2:C-2:	C-4:N-1:	C(CPtN)(CC3)(CN)2	C(CPtN)(CC3)(CN)2	C(CC3)(N)	C(CPtN)(CC3)(CN)2	C(CPtN)(CC3)(CN)2	C(CC3)(N)	110.3418	2.460	8	110.3418	6.050	8	110.3418	6.050	8	109.3563	5.702	13	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	3:4:2:2:	4:1:	C[6a]-3:C-4:C-2:C-2:	C[6a]-3:C-4:C-2:C-2:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CN)2	C(C[6a]C[6a]2)(CC[6a]CC)(CN)2	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]CC)(CN)2	C(C[6a]C[6a]2)(CC[6a]CC)(CN)2	C(CC[6a]CC)(N)	107.7796	1.212	5	107.7796	1.468	5	107.7796	1.468	5	109.3563	5.702	13	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:1:1:1:	4:1:	C-3:C-4:C-2:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[6a]C)(CH3)(CN)2	C(CC3)(H)3	C(CC3)(N)	C(CC[6a]C)(CH3)(CN)2	C(CC3)(H)3	C(CC3)(N)	108.5805	0.211	2	108.5805	0.045	2	108.5805	0.045	2	108.5805	0.045	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:1:1:1:	4:2:	C-3:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CN[5]O)(CH3)(CC)(OH)	C(CCCO)(H)3	C(CCCO)(CH)	C(CN[5]O)(CH3)(CC)(OH)	C(CCCO)(H)3	C(CCCO)(CH)	109.9205	0.214	2	109.9205	0.046	2	109.9205	0.046	2	109.0514	2.420	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C-4:F-1:F-1:F-1:	C-4:C-2:	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(CC)	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(CC)	107.0985	1.419	2	107.0985	2.014	2	107.1443	1.013	3	109.0514	2.420	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C-4:F-1:F-1:F-1:	C-4:C-2:	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(CC[3])	C(C[6a]C[6a]2)(CF3)(CC)(OH)	C(CC[6a]CO)(F)3	C(CC[6a]CO)(CC[3])	107.2360	0.000	1	107.2360	0.000	1	107.1443	1.013	3	109.0514	2.420	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CH3)(CC)(OC)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(CC)	C(C[6a]C[6a]2)(CH3)(CC)(OC)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(CC)	109.4790	0.000	1	109.4790	0.000	1	110.0473	0.300	4	109.0514	2.420	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(CC)	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(CC)	109.6770	0.000	1	109.6770	0.000	1	110.0473	0.300	4	109.0514	2.420	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(CMo)	C(C[6a]C[6a]2)(CH3)(CC)(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(CMo)	110.5040	0.000	1	110.5040	0.000	1	110.0473	0.300	4	109.0514	2.420	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]N[6a])(CH3)(CC)(OH)	C(CC[6a]CO)(H)3	C(CC[6a]CO)(CC[6a])	110.5290	0.000	1	110.5290	0.000	1	110.0473	0.300	4	109.0514	2.420	9	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:3:1:1:	4:1:	C-3:C-4:C-2:C-2:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(CC[6a]C)(CCHH)(CN)2	C(CC3)(CCH)(H)2	C(CC3)(N)	C(CC[6a]C)(CCHH)(CN)2	C(CC3)(CCH)(H)2	C(CC3)(N)	109.6020	0.116	2	109.6020	0.013	2	109.6020	0.013	2	109.6020	0.013	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:4:1:1:	4:1:	C-3:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]O)(CCHH)(CN)(OC)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(N)	C(CC[6a]O)(CCHH)(CN)(OC)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(N)	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:4:1:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]N[6a])(CCHH)(CC)(OH)	C(CC[6a]CO)(CH3)(H)2	C(CC[6a]CO)(CC[6a])	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:4:3:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CC[6a]CO)(CCHH)(NCS)(H)	C(CC[6a]CO)(CC[6a])	110.7340	0.492	2	110.7340	0.242	2	110.2697	1.977	4	110.2697	1.977	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:4:3:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CCHN)(CC)(OC)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(CC[6a]CO)(CC[6a])	108.2520	0.000	1	108.2520	0.000	1	110.2697	1.977	4	110.2697	1.977	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:2:2:	4:4:3:1:	4:2:	C[6a]-3:C-4:C-2:O-2:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(CC[6a]CO)(CC[6a])	C(C[6a]C[6a]2)(CCHN)(CC)(OH)	C(CC[6a]CO)(CC[6a]HH)(NCS)(H)	C(CC[6a]CO)(CC[6a])	111.3590	0.000	1	111.3590	0.000	1	110.2697	1.977	4	110.2697	1.977	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:3:2:	4:1:1:1:	2:4:	N-3:C-4:C-3:C-2:	C-4:F-1:F-1:F-1:	C-2:C-4:	C(NC[6a]H)(CF3)(COO)(CC)	C(CCCN)(F)3	C(CC[5a])(CCCN)	C(NC[6a]H)(CF3)(COO)(CC)	C(CCCN)(F)3	C(CC[5a])(CCCN)	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	109.5650	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:3:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CH3)(CCO)(CN)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(N)	107.6562	0.818	5	107.6562	0.669	5	107.6562	0.669	5	106.9949	1.728	7	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:3:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-4:N-1:	C(C[6a]C[6a]2)(CF3)(NCH)(CN)	C(CC[6a]CN)(F)3	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(CF3)(NCH)(CN)	C(CC[6a]CN)(F)3	C(CC[6a]CN)(N)	105.4770	0.000	1	105.4770	0.000	1	105.3415	0.037	2	106.9949	1.728	7	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:3:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-4:N-1:	C(C[6a]C[6a]2)(CF3)(NHS)(CN)	C(CC[6a]CN)(F)3	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(CF3)(NHS)(CN)	C(CC[6a]CN)(F)3	C(CC[6a]CN)(N)	105.2060	0.000	1	105.2060	0.000	1	105.3415	0.037	2	106.9949	1.728	7	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:3:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-3:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CCHH)(CCO)(CN)	C(CC[6a]CC)(CH3)(H)2	C(CC[6a]CC)(N)	107.5603	0.732	3	107.5603	0.535	3	107.5603	0.535	3	107.0336	0.878	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:3:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	C(CC[6a]CN)(CH3)(H)2	C(CC[6a]CN)(N)	C(C[6a]C[6a]2)(CCHH)(NCH)(CN)	C(CC[6a]CN)(CH3)(H)2	C(CC[6a]CN)(N)	106.2435	0.602	2	106.2435	0.362	2	106.2435	0.362	2	107.0336	0.878	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:3:2:	4:4:4:1:	4:1:	C[6a]-3:C-4:C-3:C-2:	C-4:C-4:C-4:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	C(CC[6a]CC)(CCHH)2(H)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CCCH)(COO)(CN)	C(CC[6a]CC)(CCHH)2(H)	C(CC[6a]CC)(N)	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	3:3:4:4:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:C-4:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)2(CC[6a]CC)(CH3)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)2(CC[6a]CC)(CH3)	C(CC[6a]CC)(N)	106.9030	0.000	1	106.9030	0.000	1	106.9030	0.000	1	106.9030	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(CC[6a]CC)(H)2	C(CC[6a]CC)(N)	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	108.5520	1.734	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:1:	C[6a]-3:C-4:C-4:C-2:	N[5a]-3:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	C(N[5a]C[5a]N[5a])(CC[6a]CC)(H)2	C(CC[6a]CC)(N)	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	108.5520	1.734	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:2:	C[6a]-3:C-4:C-4:C-2:	C[6]-3:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(CC[6a]CC)(CC)	C(C[6a]C[6a]N[6a])(CC[6]HH)2(CC)	C(C[6]C[6]N[6])(CC[6a]CC)(H)2	C(CC[6a]CC)(CC)	108.1497	1.306	4	108.1497	1.706	4	108.1497	1.706	4	108.5445	1.483	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	3:4:1:1:	4:2:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]N[6a])(CC[6a]HH)2(CC)	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	C(CC[6a]CC)(CC)	C(C[6a]C[6a]N[6a])(CC[6a]HH)2(CC)	C(C[6a]C[6a]N[6a])(CC[6a]CC)(H)2	C(CC[6a]CC)(CC)	109.3340	0.653	2	109.3340	0.427	2	109.3340	0.427	2	108.5445	1.483	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	3:4:3:1:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C-4:N-3:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	C(CC[6a]CC)(N)	106.7320	0.000	1	106.7320	0.000	1	106.7320	0.000	1	106.7320	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	3:4:4:2:	4:2:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:C-2:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(CC[6a]CC)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(CC[6a]CC)(CC[6a])	107.6225	0.624	2	107.6225	0.390	2	107.6225	0.390	2	107.6225	0.390	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	3:4:4:3:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:C-3:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(COO)	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(COO)	C(CC[6a]CC)(N)	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	106.4450	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:1:1:1:	2:4:	C-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CC[6a]N)(CCHH)(CH3)(CC)	C(CC3)(H)3	C(CC[6a])(CC3)	C(CC[6a]N)(CCHH)(CH3)(CC)	C(CC3)(H)3	C(CC[6a])(CC3)	109.7470	0.000	1	109.7470	0.000	1	110.3763	1.877	3	110.3763	1.877	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:1:1:1:	2:4:	C-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CC[6a]O)(CH3)2(CC)	C(CC3)(H)3	C(CC[6a])(CC3)	C(CC[6a]O)(CH3)2(CC)	C(CC3)(H)3	C(CC[6a])(CC3)	110.6910	1.778	2	110.6910	3.160	2	110.3763	1.877	3	110.3763	1.877	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]CC)(CH3)(CN)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(N)	106.1700	0.000	1	106.1700	0.000	1	107.2408	1.135	5	107.2049	2.953	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CH3)2(CN)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CH3)2(CN)	C(CC[6a]CC)(H)3	C(CC[6a]CC)(N)	107.5085	1.018	4	107.5085	1.036	4	107.2408	1.135	5	107.2049	2.953	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:	C[6a]-3:C[5]-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(CN)	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(N)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(CN)	C(CC[6a]C[5]C)(H)3	C(CC[6a]C[5]C)(N)	105.0273	0.351	4	105.0273	0.123	4	105.0273	0.123	4	107.2049	2.953	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:	N-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(NC[6a]H)(CH3)2(CN)	C(CCCN)(H)3	C(CCCN)(N)	C(NC[6a]H)(CH3)2(CN)	C(CCCN)(H)3	C(CCCN)(N)	108.1820	1.745	2	108.1820	3.046	2	108.1820	3.046	2	107.2049	2.953	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:	N[4]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(N[4]Ga[4]C[4])(CH3)2(CH)	C(CN[4]CC)(H)3	C(CN[4]CC)(H)	C(N[4]Ga[4]C[4])(CH3)2(CH)	C(CN[4]CC)(H)3	C(CN[4]CC)(H)	109.0095	0.865	2	109.0095	0.748	2	109.0095	0.748	2	107.2049	2.953	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:1:	N[6]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(N[6]C[6,6a]2)(CH3)2(CN)	C(CN[6]CC)(H)3	C(CN[6]CC)(N)	C(N[6]C[6,6a]2)(CH3)2(CN)	C(CN[6]CC)(H)3	C(CN[6]CC)(N)	108.6885	0.919	2	108.6885	0.844	2	108.6885	0.844	2	107.2049	2.953	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:2:	N[6]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CN[6]CC)(H)3	C(CN[6]CC)(CH)	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CN[6]CC)(H)3	C(CN[6]CC)(CH)	109.6625	0.346	2	109.6625	0.120	2	109.3413	0.292	4	109.3413	0.292	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:1:1:1:	4:2:	N[6]-3:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(N[6]C[6]2)(CH3)2(CC)	C(CN[6]CC)(H)3	C(CN[6]CC)(CC[6a])	C(N[6]C[6]2)(CH3)2(CC)	C(CN[6]CC)(H)3	C(CN[6]CC)(CC[6a])	109.0200	0.585	2	109.0200	0.343	2	109.3413	0.292	4	109.3413	0.292	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:C-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	C(CC[6a]CC)(CCH)(H)2	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHH)(CN)	C(CC[6a]CC)(CCH)(H)2	C(CC[6a]CC)(N)	107.4600	0.000	1	107.4600	0.000	1	107.4600	0.000	1	109.4983	4.239	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:	C[6a]-3:S-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C(CC[6a]CS)(CCH)(H)2	C(CC[6a]CS)(N)	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C(CC[6a]CS)(CCH)(H)2	C(CC[6a]CS)(N)	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4983	4.239	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:3:1:1:	4:1:	N-3:C-4:C-4:C-2:	C-4:N-3:H-1:H-1:	C-4:N-1:	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCN)(NCC)(H)2	C(CCCN)(N)	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCN)(NCC)(H)2	C(CCCN)(N)	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	109.4983	4.239	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:4:1:1:	2:4:	C-3:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CC[6a]N)(CCHH)(CH3)(CC)	C(CCHH)(CC3)(H)2	C(CC[6a])(CC3)	C(CC[6a]N)(CCHH)(CH3)(CC)	C(CCHH)(CC3)(H)2	C(CC[6a])(CC3)	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	C(CC[6a]CC)(CC[6a]HH)(H)2	C(CC[6a]CC)(N)	C(C[6a]C[6a]2)(CN[5a]HH)(CCHH)(CN)	C(CC[6a]CC)(CC[6a]HH)(H)2	C(CC[6a]CC)(N)	106.4310	0.000	1	106.4310	0.000	1	106.4310	0.000	1	107.6370	0.836	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]N[6a])(CC[5]HH)2(CN)	C(C[5]C[5]2Mn)(CC[6a]CC)(H)2	C(CC[6a]CC)(N)	C(C[6a]C[6a]N[6a])(CC[5]HH)2(CN)	C(C[5]C[5]2Mn)(CC[6a]CC)(H)2	C(CC[6a]CC)(N)	108.0725	0.800	2	108.0725	0.640	2	108.0725	0.640	2	107.6370	0.836	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:C[6]-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	C(CC[6a]C[6]C)(CCHH)(H)2	C(CC[6a]C[6]C)(N)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(CN)	C(CC[6a]C[6]C)(CCHH)(H)2	C(CC[6a]C[6]C)(N)	107.1660	0.000	1	107.1660	0.000	1	107.1660	0.000	1	107.6370	0.836	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:1:	C[6a]-3:S-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C(CC[6a]CS)(CCHH)(H)2	C(CC[6a]CS)(N)	C(C[6a]C[6a]2)(SC[6a]OO)(CCHH)(CN)	C(CC[6a]CS)(CCHH)(H)2	C(CC[6a]CS)(N)	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	107.6370	0.836	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:4:1:1:	4:2:	C[6a]-3:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]CC)(CCHH)(CC)	C(CC[6a]CC)(CCHH)(H)2	C(CC[6a]CC)(CC[6a])	107.8345	0.902	2	107.8345	0.813	2	107.8345	0.813	2	107.8345	0.813	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:4:3:1:	4:2:	N[6]-3:C-4:C-4:C-2:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CN[6]CC)(CHHO)(NHS)(H)	C(CN[6]CC)(CH)	C(N[6]C[6]2)(CCHN)(CH3)(CC)	C(CN[6]CC)(CHHO)(NHS)(H)	C(CN[6]CC)(CH)	106.8770	0.423	2	106.8770	0.179	2	106.8770	0.179	2	106.8770	0.179	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	3:4:4:2:	4:4:4:1:	4:1:	N-3:C-4:C-4:C-2:	C-4:C-4:C-4:H-1:	C-4:N-1:	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCN)(CCHH)2(H)	C(CCCN)(N)	C(NC[6]C)(CCCH)(CHHN)(CN)	C(CCCN)(CCHH)2(H)	C(CCCN)(N)	106.6410	0.000	1	106.6410	0.000	1	106.6410	0.000	1	106.6410	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	2:4:1:1:	2:4:	C-4:C-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-2:C-4:	C(CHHO)(CC)(H)2	C(OB[3x6])(CCHH)(H)2	C(CC[6a])(CCHH)	C(CHHO)(CC)(H)2	C(OB[3x6])(CCHH)(H)2	C(CC[6a])(CCHH)	112.9000	0.000	1	112.9000	0.000	1	112.9000	0.000	1	112.9000	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	2:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:N-1:	C(CHHS)(CN)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(N)	C(CHHS)(CN)(H)2	C(SC[5])(CCHH)(H)2	C(CCHH)(N)	111.7791	1.410	31	111.7791	1.987	31	111.8498	1.999	35	111.8498	1.999	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	2:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:N-1:	C(CHHS)(CN)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(N)	C(CHHS)(CN)(H)2	C(SC[5a])(CCHH)(H)2	C(CCHH)(N)	112.0907	1.711	3	112.0907	2.929	3	111.8498	1.999	35	111.8498	1.999	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	2:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:N-1:	C(CHHS)(CN)(H)2	C(SC[6a])(CCHH)(H)2	C(CCHH)(N)	C(CHHS)(CN)(H)2	C(SC[6a])(CCHH)(H)2	C(CCHH)(N)	113.3170	0.000	1	113.3170	0.000	1	111.8498	1.999	35	111.8498	1.999	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	2:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-2:	C(CHHO)(CC)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CH)	C(CHHO)(CC)(H)2	C(OC[6a])(CCHH)(H)2	C(CCHH)(CH)	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	111.9755	0.538	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	2:4:1:1:	4:2:	C-4:C-2:H-1:O-1:	O-2:C-4:H-1:H-1:	C-4:O-2:	C(CHHO)(CO)(H)(O)	C(OC[6a])(CCHO)(H)2	C(CCHO)(OC)	C(CHHO)(CO)(H)(O)	C(OC[6a])(CCHO)(H)2	C(CCHO)(OC)	112.4940	0.000	1	112.4940	0.000	1	112.4940	0.000	1	111.9755	0.538	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	2:4:3:1:	2:4:	C-4:C-2:H-1:H-1:	S-2:C-4:C-3:H-1:	C-2:C-4:	C(CCHS)(CC)(H)2	C(SC[6a])(CCHH)(CNO)(H)	C(CC[6a])(CCHH)	C(CCHS)(CC)(H)2	C(SC[6a])(CCHH)(CNO)(H)	C(CC[6a])(CCHH)	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:3:4:1:	4:1:	C-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-1:	C(CC[6a]2H)(CN)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(N)	C(CC[6a]2H)(CN)(H)2	C(C[6a]C[6a]2)2(CCHH)(H)	C(CCHH)(N)	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	111.4925	2.409	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:3:4:1:	4:1:	C-4:C-2:H-1:H-1:	N-3:N-3:C-4:H-1:	C-4:N-1:	C(CHNN)(CN)(H)2	C(NC[5]C)2(CCHH)(H)	C(CCHH)(N)	C(CHNN)(CN)(H)2	C(NC[5]C)2(CCHH)(H)	C(CCHH)(N)	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	111.4925	2.409	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:3:4:1:	4:2:	C-4:C-2:H-1:H-1:	C[6a]-3:S-3:C-4:H-1:	C-4:C-2:	C(CC[6a]HS)(CC)(H)2	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	C(CCHH)(CH)	C(CC[6a]HS)(CC)(H)2	C(C[6a]C[6a]2)(SC[6a]O)(CCHH)(H)	C(CCHH)(CH)	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:3:4:2:	4:2:	C-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:C-2:	C(CC[6a]2C)(CC)(H)2	C(C[6a]C[6a]2)2(CCHH)(CN)	C(CCHH)(CC)	C(CC[6a]2C)(CC)(H)2	C(C[6a]C[6a]2)2(CCHH)(CN)	C(CCHH)(CC)	113.2540	0.000	1	113.2540	0.000	1	113.2540	0.000	1	111.6155	1.309	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:3:4:2:	4:2:	C-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-2:	C(CC[6a]2O)(CC)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCHH)(CC)	C(CC[6a]2O)(CC)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCHH)(CC)	111.4080	0.000	1	111.4080	0.000	1	111.0693	0.174	3	111.6155	1.309	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:3:4:2:	4:2:	C-4:C-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-2:	C(CC[6a]2O)(CC)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCHH)(CH)	C(CC[6a]2O)(CC)(H)2	C(C[6a]C[6a]2)2(CCHH)(OH)	C(CCHH)(CH)	110.9000	0.419	2	110.9000	0.175	2	111.0693	0.174	3	111.6155	1.309	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	3:4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]HH)(CC[6a])(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(CC[6a])(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(C[6a]C[6a]2)(CCHH)	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	116.7180	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CC[6a]C)(CCHH)(H)2	C(CCHH)(N)	112.1310	0.000	1	112.1310	0.000	1	111.2760	1.462	2	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CC[6a]O)(CCHH)(H)2	C(CCHH)(N)	110.4210	0.000	1	110.4210	0.000	1	111.2760	1.462	2	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[5a]HH)(CN)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CCHH)(N)	C(CC[5a]HH)(CN)(H)2	C(C[5a]C[5a]S[5a])(CCHH)(H)2	C(CCHH)(N)	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(N)	C(CC[6a]HH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(N)	112.1490	1.765	5	112.1490	3.114	5	112.1490	3.114	5	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	In-3:C-4:H-1:H-1:	C-4:H-1:	C(CInHH)(CH)(H)2	C(InClC)(CCHH)(H)2	C(CCHH)(H)	C(CInHH)(CH)(H)2	C(InClC)(CCHH)(H)2	C(CCHH)(H)	133.3130	0.000	1	133.3130	0.000	1	133.3130	0.000	1	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(NC[6]C)(CCHH)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(NC[6]C)(CCHH)(H)2	C(CCHH)(N)	111.3330	0.696	2	111.3330	0.484	2	110.2938	6.421	5	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(NC[6a]C)(CCHH)(H)2	C(CCHH)(N)	109.6010	3.286	3	109.6010	10.799	3	110.2938	6.421	5	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-1:	C(CN[5]HH)(CN)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(N)	C(CN[5]HH)(CN)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(N)	113.0435	0.176	2	113.0435	0.031	2	112.1759	1.452	7	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-1:	C(CN[5]HH)(CN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(N)	C(CN[5]HH)(CN)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(N)	111.5777	1.743	3	111.5777	3.039	3	112.1759	1.452	7	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:N-1:	C(CN[5]HH)(CN)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(N)	C(CN[5]HH)(CN)(H)2	C(N[5]C[5]N[5])(CCHH)(H)2	C(CCHH)(N)	112.2055	0.151	2	112.2055	0.023	2	112.1759	1.452	7	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(N)	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a,6a]C[5a])(CCHH)(H)2	C(CCHH)(N)	112.9755	1.296	4	112.9755	1.679	4	112.6415	1.566	8	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(N)	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a,6a]N[5a])(CCHH)(H)2	C(CCHH)(N)	110.4450	0.000	1	110.4450	0.000	1	112.6415	1.566	8	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(N)	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a]2)(CCHH)(H)2	C(CCHH)(N)	112.8550	0.611	2	112.8550	0.373	2	112.6415	1.566	8	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(N)	C(CN[5a]HH)(CN)(H)2	C(N[5a]C[5a]N[5a])(CCHH)(H)2	C(CCHH)(N)	113.0750	0.000	1	113.0750	0.000	1	112.6415	1.566	8	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:N-1:	C(CN[6]HH)(CN)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(N)	C(CN[6]HH)(CN)(H)2	C(N[6]C[6,6a]C[6])(CCHH)(H)2	C(CCHH)(N)	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CN[6a]HH)(CN)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(N)	C(CN[6a]HH)(CN)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	C(CCHH)(N)	113.1350	0.777	4	113.1350	0.604	4	113.1350	0.604	4	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	S-3:C-4:H-1:H-1:	C-4:N-1:	C(CHHS)(CN)(H)2	C(SC[6a]Fe)(CCHH)(H)2	C(CCHH)(N)	C(CHHS)(CN)(H)2	C(SC[6a]Fe)(CCHH)(H)2	C(CCHH)(N)	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	112.5595	15.836	35	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CC[3]Cl)(CCHH)(H)2	C(CCHH)(CC)	C(CCHH)(CC)(H)2	C(CC[3]Cl)(CCHH)(H)2	C(CCHH)(CC)	110.0040	0.304	2	110.0040	0.092	2	110.0040	0.092	2	111.7043	1.746	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-2:	C(CC[5]HH)(CC)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	C(CCHH)(CH)	C(CC[5]HH)(CC)(H)2	C(C[5]N[5]O[5])(CCHH)(H)2	C(CCHH)(CH)	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	111.7043	1.746	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-2:	C(CC[5a]HH)(CC)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(CC)	C(CC[5a]HH)(CC)(H)2	C(C[5a]C[5a]O[5a])(CCHH)(H)2	C(CCHH)(CC)	113.7610	0.000	1	113.7610	0.000	1	113.7610	0.000	1	111.7043	1.746	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-2:	C(CHHN)(CN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(NNi)	C(CHHN)(CN)(H)2	C(NC[6a]H)(CCHH)(H)2	C(CCHH)(NNi)	110.6440	0.000	1	110.6440	0.000	1	110.6440	0.000	1	111.7043	1.746	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-2:	C(CN[5]HH)(CC)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CH)	C(CN[5]HH)(CC)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CH)	113.2690	0.000	1	113.2690	0.000	1	113.2690	0.000	1	111.7043	1.746	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-2:	C(CN[6]HH)(CC)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CC)	C(CN[6]HH)(CC)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CC)	112.2810	1.086	2	112.2810	1.180	2	112.0198	0.486	4	111.7043	1.746	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:C-2:	C(CN[6]HH)(CC)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CH)	C(CN[6]HH)(CC)(H)2	C(N[6]C[6]2)(CCHH)(H)2	C(CCHH)(CH)	111.7585	0.078	2	111.7585	0.006	2	112.0198	0.486	4	111.7043	1.746	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:4:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(CC)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CH3)	C(CN[5]HH)(CC)(H)2	C(N[5]C[5,6a]C[5])(CCHH)(H)2	C(CCHH)(CH3)	112.7390	0.000	1	112.7390	0.000	1	114.2970	4.855	2	114.2970	4.855	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:1:1:	4:4:	C-4:C-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-4:C-4:	C(CN[5]HH)(CC)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)	C(CN[5]HH)(CC)(H)2	C(N[5]C[5]2)(CCHH)(H)2	C(CCHH)(CH3)	115.8550	0.000	1	115.8550	0.000	1	114.2970	4.855	2	114.2970	4.855	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:2:1:	2:4:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-2:C-4:	C(CC[6a]HO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a])(CCHH)	C(CC[6a]HO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CC[6a])(CCHH)	112.5840	0.751	2	112.5840	0.564	2	112.5840	0.564	2	112.5840	0.564	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:2:1:	4:1:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-2:H-1:	C-4:N-1:	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CCHH)(N)	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(CN)(H)	C(CCHH)(N)	111.4915	0.149	2	111.4915	0.022	2	111.4915	0.022	2	111.3797	0.049	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:2:1:	4:1:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-1:	C(CC[6a]HO)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CCHH)(N)	C(CC[6a]HO)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(OP)(H)	C(CCHH)(N)	111.1560	0.000	1	111.1560	0.000	1	111.1560	0.000	1	111.3797	0.049	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:2:1:	4:2:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-2:	C(CC[6a]HO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)(CC)	C(CC[6a]HO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)(CC)	110.3510	0.000	1	110.3510	0.000	1	111.8771	0.629	8	111.8771	0.629	8	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:2:1:	4:2:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-2:	C(CC[6a]HO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)(CH)	C(CC[6a]HO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)(OH)(H)	C(CCHH)(CH)	112.0951	0.539	7	112.0951	0.290	7	111.8771	0.629	8	111.8771	0.629	8	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:3:3:	4:1:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-3:N-3:	C-4:N-1:	C(CC[6a]CN)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(NHP)	C(CCHH)(N)	C(CC[6a]CN)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)(COO)(NHP)	C(CCHH)(N)	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:4:1:	4:1:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-1:	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(N)	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CCHH)2(H)	C(CCHH)(N)	113.1550	0.892	2	113.1550	0.796	2	112.9630	0.509	3	112.9630	0.509	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:4:1:	4:1:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-1:	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	C(CCHH)(N)	C(CC[6a]CH)(CN)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CCHH)(H)	C(CCHH)(N)	112.5790	0.000	1	112.5790	0.000	1	112.9630	0.509	3	112.9630	0.509	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:4:2:	4:2:	C-4:C-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:C-2:	C(CC[6a]CO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CCHH)(CH)	C(CC[6a]CO)(CC)(H)2	C(C[6a]C[6a]2)(CCHH)2(OH)	C(CCHH)(CH)	114.5200	0.000	1	114.5200	0.000	1	114.5200	0.000	1	114.5200	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:4:3:	4:2:	C-4:C-2:H-1:H-1:	C[5a]-3:C-4:C-4:C-3:	C-4:C-2:	C(CC[5a]CC)(CC)(H)2	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	C(CCHH)(CH)	C(CC[5a]CC)(CC)(H)2	C(C[5a]N[5a]S[5a])(CCHH)2(CCO)	C(CCHH)(CH)	111.9020	0.464	4	111.9020	0.216	4	111.9020	0.216	4	111.9020	0.216	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	3:4:4:4:	4:1:	C-4:C-2:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C-4:N-1:	C(CC[5a]CC)(CN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	C(CCHH)(N)	C(CC[5a]CC)(CN)(H)2	C(C[5a]C[5a,6a]C[5a])(CCHH)2(CFFH)	C(CCHH)(N)	114.0755	0.644	2	114.0755	0.415	2	114.0755	0.415	2	114.0755	0.415	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CC[6a])(CCHH)	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CC[6a])(CCHH)	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(N)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(N)	112.5323	2.661	16	112.5323	7.081	16	112.5323	7.081	16	112.2246	8.248	17	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:	C(CH3)(CO)(H)2	C(CCHH)(H)3	C(CCHH)(O)	C(CH3)(CO)(H)2	C(CCHH)(H)3	C(CCHH)(O)	107.3020	0.000	1	107.3020	0.000	1	107.3020	0.000	1	112.2246	8.248	17	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CCHH)(CC)	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CCHH)(CC)	112.8890	0.450	4	112.8890	0.202	4	112.8890	0.202	4	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NCr)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NCr)	112.1630	0.000	1	112.1630	0.000	1	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NCu)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NCu)	105.0860	0.000	1	105.0860	0.000	1	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NFe)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NFe)	111.0870	0.000	1	111.0870	0.000	1	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NH)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NH)	112.5460	0.000	1	112.5460	0.000	1	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NIr)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NIr)	111.3360	0.808	2	111.3360	0.652	2	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NMo)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NMo)	112.6150	0.000	1	112.6150	0.000	1	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NNi)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NNi)	112.7270	0.000	1	112.7270	0.000	1	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NPt)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NPt)	111.3763	3.279	12	111.3763	10.753	12	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NRu)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NRu)	112.0763	0.936	3	112.0763	0.876	3	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NSn)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NSn)	109.8875	0.302	2	109.8875	0.091	2	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NW)	C(CH3)(CN)(H)2	C(CCHH)(H)3	C(CCHH)(NW)	113.8060	1.356	2	113.8060	1.839	2	111.4455	7.123	27	111.6317	6.436	31	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:3:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CCHH)(CCO)	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CCHH)(CCO)	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:4:	C-4:C-2:H-1:H-1:	C-4:C-1:H-1:H-1:	C-4:N-4:	C(CCHH)(CN)(H)2	C(CCHH)(C)(H)2	C(CCHH)(NC3)	C(CCHH)(CN)(H)2	C(CCHH)(C)(H)2	C(CCHH)(NC3)	110.3210	0.000	1	110.3210	0.000	1	110.3210	0.000	1	127.9293	663.395	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CCHH)(CHHN)	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CCHH)(CHHN)	103.9970	0.000	1	103.9970	0.000	1	131.4510	736.228	5	127.9293	663.395	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CCHH)2	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CCHH)2	137.6240	31.599	3	137.6240	998.519	3	131.4510	736.228	5	127.9293	663.395	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:1:1:1:	4:4:	C-4:C-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CCHH)	C(CH3)(CC)(H)2	C(CCHH)(H)3	C(CN[6]HH)(CCHH)	140.3860	0.000	1	140.3860	0.000	1	131.4510	736.228	5	127.9293	663.395	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-2:C-4:	C(CHHO)(CC)(H)2	C(CCHH)(OC)(H)2	C(CC[6a])(CCHH)	C(CHHO)(CC)(H)2	C(CCHH)(OC)(H)2	C(CC[6a])(CCHH)	109.7635	1.513	2	109.7635	2.288	2	111.5018	4.134	5	111.5018	4.134	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-2:C-4:	C(CHHO)(CC)(H)2	C(CCHH)(OH)(H)2	C(CC[5])(CCHH)	C(CHHO)(CC)(H)2	C(CCHH)(OH)(H)2	C(CC[5])(CCHH)	114.3220	0.000	1	114.3220	0.000	1	111.5018	4.134	5	111.5018	4.134	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-2:C-4:	C(CHHO)(CC)(H)2	C(CCHH)(OH)(H)2	C(CC[6a])(CCHH)	C(CHHO)(CC)(H)2	C(CCHH)(OH)(H)2	C(CC[6a])(CCHH)	111.8300	0.187	2	111.8300	0.035	2	111.5018	4.134	5	111.5018	4.134	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CCHH)(CN)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CCHH)(CN)(H)2	C(CCHH)(N)	114.2683	0.742	3	114.2683	0.551	3	114.2683	0.551	3	112.6962	11.400	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:H-1:	C(CHHO)(CH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(H)	C(CHHO)(CH)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(H)	106.7350	0.000	1	106.7350	0.000	1	106.7350	0.000	1	112.6962	11.400	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:N-1:	C(CHHS)(CN)(H)2	C(CCHH)(SC)(H)2	C(CCHH)(N)	C(CHHS)(CN)(H)2	C(CCHH)(SC)(H)2	C(CCHH)(N)	113.9410	0.000	1	113.9410	0.000	1	113.9410	0.000	1	112.6962	11.400	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(CC)	C(CCHH)(CC)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(CC)	112.8333	0.831	3	112.8333	0.691	3	112.5440	0.509	5	112.5105	0.728	11	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(CSi)	C(CCHH)(CC)(H)2	C(CCHH)(CC)(H)2	C(CCHH)(CSi)	112.1100	0.157	2	112.1100	0.025	2	112.5440	0.509	5	112.5105	0.728	11	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:N-2:	C(CCHH)(CN)(H)2	C(CCHH)(CN)(H)2	C(CCHH)(NCo)	C(CCHH)(CN)(H)2	C(CCHH)(CN)(H)2	C(CCHH)(NCo)	111.5310	0.000	1	111.5310	0.000	1	113.0137	1.701	3	112.5105	0.728	11	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:N-2:	C(CCHH)(CN)(H)2	C(CCHH)(CN)(H)2	C(CCHH)(NNi)	C(CCHH)(CN)(H)2	C(CCHH)(CN)(H)2	C(CCHH)(NNi)	113.7550	0.324	2	113.7550	0.105	2	113.0137	1.701	3	112.5105	0.728	11	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-2:	C(CHHO)(CC)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CC)	C(CHHO)(CC)(H)2	C(CCHH)(OC)(H)2	C(CCHH)(CC)	112.0475	0.295	2	112.0475	0.087	2	111.9513	0.071	3	112.5105	0.728	11	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:2:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-2:	C(CHHO)(CC)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CC)	C(CHHO)(CC)(H)2	C(CCHH)(OH)(H)2	C(CCHH)(CC)	111.7590	0.000	1	111.7590	0.000	1	111.9513	0.071	3	112.5105	0.728	11	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CCH)(H)2	C(CC[5a])(CCHH)	C(CCHH)(CC)(H)2	C(CCHH)(CCH)(H)2	C(CC[5a])(CCHH)	111.8778	0.494	5	111.8778	0.244	5	111.7772	0.709	10	111.7660	0.640	11	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CNO)(H)2	C(CC[6a])(CCHH)	C(CCHH)(CC)(H)2	C(CCHH)(CNO)(H)2	C(CC[6a])(CCHH)	111.6766	1.152	5	111.6766	1.326	5	111.7772	0.709	10	111.7660	0.640	11	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-2:C-4:	C(CHHN)(CC)(H)2	C(CCHH)(NCS)(H)2	C(CC[6a])(CCHH)	C(CHHN)(CC)(H)2	C(CCHH)(NCS)(H)2	C(CC[6a])(CCHH)	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	111.7660	0.640	11	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:H-1:	C(CCHH)(CH)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)(H)	C(CCHH)(CH)(H)2	C(CCHH)(CHN)(H)2	C(CCHH)(H)	113.4760	0.000	1	113.4760	0.000	1	113.4760	0.000	1	112.0312	5.048	29	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(N)	111.8535	2.573	20	111.8535	6.623	20	112.0969	5.325	26	112.0312	5.048	29	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(CCHH)(NCH)(H)2	C(CCHH)(N)	113.4565	0.974	2	113.4565	0.948	2	112.0969	5.325	26	112.0312	5.048	29	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(CCHH)(NCS)(H)2	C(CCHH)(N)	112.6643	0.382	3	112.6643	0.146	3	112.0969	5.325	26	112.0312	5.048	29	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(CCHH)(NCuC)(H)2	C(CCHH)(N)	112.5440	0.000	1	112.5440	0.000	1	112.0969	5.325	26	112.0312	5.048	29	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:S-3:H-1:H-1:	C-4:N-1:	C(CHHS)(CN)(H)2	C(CCHH)(SIr2)(H)2	C(CCHH)(N)	C(CHHS)(CN)(H)2	C(CCHH)(SIr2)(H)2	C(CCHH)(N)	110.4545	1.030	2	110.4545	1.061	2	110.4545	1.061	2	112.0312	5.048	29	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CC)	C(CCHH)(CC)(H)2	C(CCHH)(COO)(H)2	C(CCHH)(CC)	112.6990	0.383	2	112.6990	0.147	2	112.6990	0.147	2	112.1712	18.058	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-2:	C(CHHN)(CC)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CC)	C(CHHN)(CC)(H)2	C(CCHH)(NCC)(H)2	C(CCHH)(CC)	111.8193	5.965	3	111.8193	35.578	3	111.8193	35.578	3	112.1712	18.058	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:2:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-3:O-2:H-1:	C-4:C-2:	C(CCHO)(CC)(H)2	C(CCHH)(CCH)(OC)(H)	C(CCHH)(CH)	C(CCHO)(CC)(H)2	C(CCHH)(CCH)(OC)(H)	C(CCHH)(CH)	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	109.6950	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:3:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-2:C-4:	C(CCHN)(CC)(H)2	C(CCHH)(COO)(NCS)(H)	C(CC[6a])(CCHH)	C(CCHN)(CC)(H)2	C(CCHH)(COO)(NCS)(H)	C(CC[6a])(CCHH)	114.2830	1.273	2	114.2830	1.620	2	114.2830	1.620	2	114.2830	1.620	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:3:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:N-1:	C(CCHN)(CN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(N)	C(CCHN)(CN)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(N)	111.0670	0.000	1	111.0670	0.000	1	111.0670	0.000	1	111.0670	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:3:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:C-2:	C(CCCH)(CC)(H)2	C(CCHH)(CCN)(CNO)(H)	C(CCHH)(CH)	C(CCCH)(CC)(H)2	C(CCHH)(CCN)(CNO)(H)	C(CCHH)(CH)	109.3230	0.000	1	109.3230	0.000	1	111.4380	3.394	3	111.7530	2.659	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:3:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-3:C-3:H-1:	C-4:C-2:	C(CCCH)(CC)(H)2	C(CCHH)(CNO)2(H)	C(CCHH)(CH)	C(CCCH)(CC)(H)2	C(CCHH)(CNO)2(H)	C(CCHH)(CH)	112.4955	0.278	2	112.4955	0.077	2	111.4380	3.394	3	111.7530	2.659	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:3:3:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-3:N-3:H-1:	C-4:C-2:	C(CCHN)(CC)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CH)	C(CCHN)(CC)(H)2	C(CCHH)(CNO)(NCH)(H)	C(CCHH)(CH)	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	111.7530	2.659	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5a])(CCHH)	C(CCHH)(CC)(H)2	C(CCCH)(CCHH)(H)2	C(CC[5a])(CCHH)	110.5450	0.000	1	110.5450	0.000	1	112.1678	2.274	28	112.1948	2.009	33	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a])(CCHH)	C(CCHH)(CC)(H)2	C(CCHH)(CCHN)(H)2	C(CC[6a])(CCHH)	110.7460	0.000	1	110.7460	0.000	1	112.1678	2.274	28	112.1948	2.009	33	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a])(CCHH)	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(CC[6a])(CCHH)	113.0998	1.386	4	113.0998	1.922	4	112.1678	2.274	28	112.1948	2.009	33	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a])(CCHH)	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	C(CC[6a])(CCHH)	113.3070	0.000	1	113.3070	0.000	1	112.1678	2.274	28	112.1948	2.009	33	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[5])(CCHH)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[5])(CCHH)	114.2190	0.000	1	114.2190	0.000	1	112.1678	2.274	28	112.1948	2.009	33	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[5a])(CCHH)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[5a])(CCHH)	113.3630	0.000	1	113.3630	0.000	1	112.1678	2.274	28	112.1948	2.009	33	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[6])(CCHH)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[6])(CCHH)	111.1462	1.090	5	111.1462	1.188	5	112.1678	2.274	28	112.1948	2.009	33	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[6a])(CCHH)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CC[6a])(CCHH)	112.1706	1.535	14	112.1706	2.355	14	112.1678	2.274	28	112.1948	2.009	33	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	2:4:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-2:C-4:	C(CC[6]HH)(CC)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6a])(CCHH)	C(CC[6]HH)(CC)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CC[6a])(CCHH)	112.3460	0.830	5	112.3460	0.689	5	112.3460	0.689	5	112.1948	2.009	33	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:Cl-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(Cl)(H)	C(CC[6a]CN)(CClCH)(H)2	C(CClCH)(N)	C(CCHH)(CN)(Cl)(H)	C(CC[6a]CN)(CClCH)(H)2	C(CClCH)(N)	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:N-1:	C(CCFF)(CN)(F)2	C(CCFF)2(F)2	C(CCFF)(N)	C(CCFF)(CN)(F)2	C(CCFF)2(F)2	C(CCFF)(N)	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:F-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(F)(H)	C(CCFH)(CCHN)(H)2	C(CCFH)(N)	C(CCHH)(CN)(F)(H)	C(CCFH)(CCHN)(H)2	C(CCFH)(N)	111.5270	0.000	1	111.5270	0.000	1	111.5270	0.000	1	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(H)	C(CCHH)(CH)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(H)	114.9510	0.000	1	114.9510	0.000	1	117.2705	18.179	4	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(H)	C(CCHH)(CH)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(H)	122.0980	0.000	1	122.0980	0.000	1	117.2705	18.179	4	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH)(H)2	C(CCHH)2(H)2	C(CCHH)(H)	C(CCHH)(CH)(H)2	C(CCHH)2(H)2	C(CCHH)(H)	119.3860	0.000	1	119.3860	0.000	1	117.2705	18.179	4	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(CH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(H)	C(CCHH)(CH)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(H)	112.6470	0.000	1	112.6470	0.000	1	117.2705	18.179	4	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CCHH)(CC3)(H)2	C(CCHH)(N)	111.4334	1.253	13	111.4334	1.569	13	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(N)	112.7065	1.650	2	112.7065	2.721	2	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CCHH)(CHHS)(H)2	C(CCHH)(N)	112.2870	0.000	1	112.2870	0.000	1	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CCHH)(N)	112.3072	2.912	25	112.3072	8.482	25	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CC[6]HH)(CCHH)(H)2	C(CCHH)(N)	113.1030	0.000	1	113.1030	0.000	1	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CC[6a]HH)(CCHH)(H)2	C(CCHH)(N)	112.1840	0.716	4	112.1840	0.512	4	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CCoHH)(CCHH)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CCoHH)(CCHH)(H)2	C(CCHH)(N)	111.5980	0.000	1	111.5980	0.000	1	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CCuHH)(CCHH)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CCuHH)(CCHH)(H)2	C(CCHH)(N)	111.6930	0.000	1	111.6930	0.000	1	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(N)	111.9469	1.344	20	111.9469	1.807	20	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(N)	112.0962	1.619	5	112.0962	2.620	5	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(N)	112.2130	0.000	1	112.2130	0.000	1	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)(N)	C(CCHH)(CN)(H)2	C(CSiHH)(CCHH)(H)2	C(CCHH)(N)	113.1084	1.307	8	113.1084	1.708	8	112.1420	3.716	82	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(CCHH)(NCCH)(H)2	C(CCHH)(N)	111.5243	0.287	3	111.5243	0.082	3	111.7065	0.188	4	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(N)	112.2530	0.000	1	112.2530	0.000	1	111.7065	0.188	4	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:N-1:	C(CHHP)(CN)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(N)	C(CHHP)(CN)(H)2	C(CCHH)(PC3)(H)2	C(CCHH)(N)	109.7800	1.859	3	109.7800	3.455	3	111.7930	6.246	6	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:N-1:	C(CHHP)(CN)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(N)	C(CHHP)(CN)(H)2	C(CCHH)(PCCO)(H)2	C(CCHH)(N)	113.7420	0.000	1	113.7420	0.000	1	111.7930	6.246	6	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:N-1:	C(CHHP)(CN)(H)2	C(CCHH)(PFe3)(H)2	C(CCHH)(N)	C(CHHP)(CN)(H)2	C(CCHH)(PFe3)(H)2	C(CCHH)(N)	113.8380	0.045	2	113.8380	0.002	2	111.7930	6.246	6	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:Si-4:H-1:H-1:	C-4:N-1:	C(CSiHH)(CN)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(N)	C(CSiHH)(CN)(H)2	C(CCHH)(SiO3)(H)2	C(CCHH)(N)	112.4870	0.717	4	112.4870	0.515	4	112.4870	0.515	4	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[3]HH)(CN)(H)2	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	C(CCHH)(N)	C(CC[3]HH)(CN)(H)2	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	C(CCHH)(N)	112.9790	0.000	1	112.9790	0.000	1	112.9790	0.000	1	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[5,5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5,5]HH)(CN)(H)2	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	C(CCHH)(N)	C(CC[5,5]HH)(CN)(H)2	C(C[5,5]C[5,5,6]2H)(CCHH)(H)2	C(CCHH)(N)	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CN)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CCHH)(N)	C(CC[5]HH)(CN)(H)2	C(C[5]C[5,6a]2C)(CCHH)(H)2	C(CCHH)(N)	113.9137	2.334	4	113.9137	5.447	4	112.4650	4.383	11	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(N)	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]2C)(CCHH)(H)2	C(CCHH)(N)	112.1850	2.601	2	112.1850	6.764	2	112.4650	4.383	11	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(N)	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]2H)(CCHH)(H)2	C(CCHH)(N)	112.6440	0.115	2	112.6440	0.013	2	112.4650	4.383	11	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CCHH)(N)	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C(CCHH)(N)	111.1790	0.000	1	111.1790	0.000	1	112.4650	4.383	11	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCHH)(N)	C(CC[5]HH)(CN)(H)2	C(C[5]C[5]N[5]H)(CCHH)(H)2	C(CCHH)(N)	111.0760	0.000	1	111.0760	0.000	1	112.4650	4.383	11	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CN)(H)2	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C(CCHH)(N)	C(CC[5]HH)(CN)(H)2	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C(CCHH)(N)	109.5470	0.000	1	109.5470	0.000	1	112.4650	4.383	11	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6,6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6,6]HH)(CN)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CCHH)(N)	C(CC[6,6]HH)(CN)(H)2	C(C[6,6]C[6,6]C[6]2)(CCHH)(H)2	C(CCHH)(N)	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6,6]H)(CCHH)(H)2	C(CCHH)(N)	110.6190	0.000	1	110.6190	0.000	1	111.4657	1.811	15	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(CCHH)(N)	112.7410	2.540	2	112.7410	6.451	2	111.4657	1.811	15	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	C(C[6]C[5,6]C[6]H)(CCHH)(H)2	C(CCHH)(N)	111.7580	0.000	1	111.7580	0.000	1	111.4657	1.811	15	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(CCHH)(N)	109.9240	0.000	1	109.9240	0.000	1	111.4657	1.811	15	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(CCHH)(N)	111.2150	0.000	1	111.2150	0.000	1	111.4657	1.811	15	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6,6a]C[6]H)(CCHH)(H)2	C(CCHH)(N)	111.7510	0.000	1	111.7510	0.000	1	111.4657	1.811	15	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C(CCHH)(N)	111.5275	0.757	2	111.5275	0.574	2	111.4657	1.811	15	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]2H)(CCHH)(H)2	C(CCHH)(N)	111.9647	0.719	4	111.9647	0.517	4	111.4657	1.811	15	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]N[6]C)(CCHH)(H)2	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]N[6]C)(CCHH)(H)2	C(CCHH)(N)	108.4580	0.000	1	108.4580	0.000	1	111.4657	1.811	15	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)(N)	C(CC[6]HH)(CN)(H)2	C(C[6]C[6]N[6]H)(CCHH)(H)2	C(CCHH)(N)	111.8650	0.000	1	111.8650	0.000	1	111.4657	1.811	15	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:H-1:	C(CHHN)(CH)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(H)	C(CHHN)(CH)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(H)	123.9190	0.000	1	123.9190	0.000	1	123.9190	0.000	1	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(NCoCC)(CCHH)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(NCoCC)(CCHH)(H)2	C(CCHH)(N)	114.9843	2.125	3	114.9843	4.515	3	112.2542	6.430	13	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(NCuCC)(CCHH)(H)2	C(CCHH)(N)	110.4842	0.486	6	110.4842	0.236	6	112.2542	6.430	13	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(NNiCC)(CCHH)(H)2	C(CCHH)(N)	114.0887	1.768	3	114.0887	3.127	3	112.2542	6.430	13	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-1:	C(CHHN)(CN)(H)2	C(NNiCH)(CCHH)(H)2	C(CCHH)(N)	C(CHHN)(CN)(H)2	C(NNiCH)(CCHH)(H)2	C(CCHH)(N)	109.1810	0.000	1	109.1810	0.000	1	112.2542	6.430	13	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-1:	C(CHHP)(CN)(H)2	C(PC[5]HW)(CCHH)(H)2	C(CCHH)(N)	C(CHHP)(CN)(H)2	C(PC[5]HW)(CCHH)(H)2	C(CCHH)(N)	113.1050	0.000	1	113.1050	0.000	1	111.2228	2.132	12	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-1:	C(CHHP)(CN)(H)2	C(PC[6a]RuC)(CCHH)(H)2	C(CCHH)(N)	C(CHHP)(CN)(H)2	C(PC[6a]RuC)(CCHH)(H)2	C(CCHH)(N)	113.0070	0.351	2	113.0070	0.123	2	111.2228	2.132	12	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-1:	C(CHHP)(CN)(H)2	C(PCoCC)(CCHH)(H)2	C(CCHH)(N)	C(CHHP)(CN)(H)2	C(PCoCC)(CCHH)(H)2	C(CCHH)(N)	110.9807	0.480	3	110.9807	0.231	3	111.2228	2.132	12	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:N-1:	C(CHHP)(CN)(H)2	C(PPdCC)(CCHH)(H)2	C(CCHH)(N)	C(CHHP)(CN)(H)2	C(PPdCC)(CCHH)(H)2	C(CCHH)(N)	110.4353	1.346	6	110.4353	1.812	6	111.2228	2.132	12	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	P[4]-4:C-4:H-1:H-1:	C-4:N-1:	C(CP[4]HH)(CN)(H)2	C(P[4]N[4]2N)(CCHH)(H)2	C(CCHH)(N)	C(CP[4]HH)(CN)(H)2	C(P[4]N[4]2N)(CCHH)(H)2	C(CCHH)(N)	114.6145	3.535	2	114.6145	12.495	2	114.6145	12.495	2	112.2077	5.462	160	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CC)	C(CCHH)(CC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CC)	114.0300	0.000	1	114.0300	0.000	1	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CPt)	C(CCHH)(CC)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(CPt)	115.1250	0.000	1	115.1250	0.000	1	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CC)	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CC)	113.7079	0.949	24	113.7079	0.901	24	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH)	C(CCHH)(CC)(H)2	C(CCHH)(CHHN)(H)2	C(CCHH)(CH)	110.9360	0.000	1	110.9360	0.000	1	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CC)	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CC)	111.6180	0.240	2	111.6180	0.058	2	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCu)	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CCu)	113.4260	0.000	1	113.4260	0.000	1	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CH)	C(CCHH)(CC)(H)2	C(CCHH)(CHHO)(H)2	C(CCHH)(CH)	112.1480	0.000	1	112.1480	0.000	1	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CC)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CC)	111.0720	2.499	27	111.0720	6.244	27	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CH)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CH)	113.2165	1.951	11	113.2165	3.806	11	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CP)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CP)	112.3245	2.170	2	112.3245	4.709	2	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CS)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CS)	111.8838	0.969	6	111.8838	0.940	6	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CSe)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CSe)	113.5130	0.000	1	113.5130	0.000	1	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	C(CCHH)(CH)	C(CCHH)(CC)(H)2	C(CC[5a]2C[6a])(CCHH)(H)2	C(CCHH)(CH)	111.3315	0.898	4	111.3315	0.806	4	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CC)	C(CCHH)(CC)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)(CC)	110.7780	0.119	2	110.7780	0.014	2	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CH)	C(CCHH)(CC)(H)2	C(CN[5]HH)(CCHH)(H)2	C(CCHH)(CH)	111.8620	0.000	1	111.8620	0.000	1	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CH)	C(CCHH)(CC)(H)2	C(CN[5a]HH)(CCHH)(H)2	C(CCHH)(CH)	112.9040	0.000	1	112.9040	0.000	1	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CH)	C(CCHH)(CC)(H)2	C(CN[6]HH)(CCHH)(H)2	C(CCHH)(CH)	113.7203	0.885	6	113.7203	0.783	6	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CH)	C(CCHH)(CC)(H)2	C(CN[6a]HH)(CCHH)(H)2	C(CCHH)(CH)	114.8290	0.000	1	114.8290	0.000	1	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(H)2	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(CH)	C(CCHH)(CC)(H)2	C(CP[5]HH)(CCHH)(H)2	C(CCHH)(CH)	111.7980	0.000	1	111.7980	0.000	1	112.4711	4.053	94	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(CN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NC)	C(CCHH)(CN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NC)	112.5130	0.000	1	112.5130	0.000	1	111.0553	1.601	3	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(CN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NH)	C(CCHH)(CN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NH)	110.4100	0.000	1	110.4100	0.000	1	111.0553	1.601	3	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CCHH)(NRh)	C(CCHH)(CN)(H)2	C(CCHH)2(H)2	C(CCHH)(NRh)	110.2430	0.000	1	110.2430	0.000	1	111.0553	1.601	3	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-2:	C(CHHN)(CC)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CH)	C(CHHN)(CC)(H)2	C(CCHH)(NH3)(H)2	C(CCHH)(CH)	110.4390	0.000	1	110.4390	0.000	1	110.4390	0.000	1	112.4070	4.020	98	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:3:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CC)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCH)	C(CCHH)(CC)(H)2	C(CCCH)(CCHH)(H)2	C(CCHH)(CCH)	113.5060	0.000	1	113.5060	0.000	1	112.4145	2.383	2	112.4145	2.383	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:3:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHH)	C(CCHH)(CC)(H)2	C(CCHH)2(H)2	C(CCHH)(CHH)	111.3230	0.000	1	111.3230	0.000	1	112.4145	2.383	2	112.4145	2.383	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CC)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)2	C(CCHH)(CC)(H)2	C(CC[5a]HH)(CCHH)(H)2	C(CCHH)2	101.1000	0.000	1	101.1000	0.000	1	101.1000	0.000	1	109.0530	15.968	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:4:	C-4:C-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-4:	C(CCHH)(CN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NC3)	C(CCHH)(CN)(H)2	C(CCHH)(CH3)(H)2	C(CCHH)(NC3)	110.2945	0.707	4	110.2945	0.500	4	110.2945	0.500	4	109.0530	15.968	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:1:1:	4:4:	C-4:C-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(CC)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(CH3)	C(CHHN)(CC)(H)2	C(CCHH)(NC3)(H)2	C(CCHH)(CH3)	112.0400	0.000	1	112.0400	0.000	1	112.0400	0.000	1	109.0530	15.968	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:2:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:N-1:	C(CCHO)(CN)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(N)	C(CCHO)(CN)(H)2	C(CCHH)(CHHN)(OH)(H)	C(CCHH)(N)	112.4156	0.799	7	112.4156	0.638	7	112.4156	0.638	7	112.4156	0.638	7	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:2:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-2:	C(CCHO)(CC)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CC)	C(CCHO)(CC)(H)2	C(CCHH)2(OH)(H)	C(CCHH)(CC)	113.4565	0.166	2	113.4565	0.028	2	113.4565	0.028	2	113.4565	0.028	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-2:C-4:	C(CCCH)(CC)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	C(CC[6a])(CCHH)	C(CCCH)(CC)(H)2	C(CC[6a]HO)(CCHH)(CCO)(H)	C(CC[6a])(CCHH)	111.2965	2.073	2	111.2965	4.295	2	111.2965	4.295	2	111.2965	4.295	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:N-1:	C(CCCH)(CN)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCHH)(N)	C(CCCH)(CN)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCHH)(N)	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	112.6095	0.361	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:1:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:N-1:	C(CCHN)(CN)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(N)	C(CCHN)(CN)(H)2	C(CCHH)(CH3)(NCC)(H)	C(CCHH)(N)	112.4010	0.000	1	112.4010	0.000	1	112.4010	0.000	1	112.6095	0.361	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:1:	4:1:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:C-3:H-1:	C-4:N-1:	C(CC[5]CH)(CN)(H)2	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C(CCHH)(N)	C(CC[5]CH)(CN)(H)2	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C(CCHH)(N)	113.0635	0.371	2	113.0635	0.138	2	113.0635	0.138	2	112.6095	0.361	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:H-1:	C-4:C-2:	C(CCCH)(CC)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCHH)(CH)	C(CCCH)(CC)(H)2	C(CCCH)(CCHH)(COO)(H)	C(CCHH)(CH)	111.9100	0.437	2	111.9100	0.191	2	111.9100	0.191	2	111.9815	1.208	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(CCHN)(CC)(H)2	C(CCFH)(CCHH)(NCS)(H)	C(CCHH)(CH)	C(CCHN)(CC)(H)2	C(CCFH)(CCHH)(NCS)(H)	C(CCHH)(CH)	110.7470	0.000	1	110.7470	0.000	1	112.0530	3.411	2	111.9815	1.208	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(CCHN)(CC)(H)2	C(CC[6a]HH)(CCHH)(NCS)(H)	C(CCHH)(CSi)	C(CCHN)(CC)(H)2	C(CC[6a]HH)(CCHH)(NCS)(H)	C(CCHH)(CSi)	113.3590	0.000	1	113.3590	0.000	1	112.0530	3.411	2	111.9815	1.208	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:3:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:N-1:	C(CC3)(CN)(H)2	C(CC[6a]2H)(CCHH)(COO)2	C(CCHH)(N)	C(CC3)(CN)(H)2	C(CC[6a]2H)(CCHH)(COO)2	C(CCHH)(N)	115.9320	0.000	1	115.9320	0.000	1	115.9320	0.000	1	115.9320	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:3:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-2:	C(CC3)(CC)(H)2	C(CCHH)2(CCN)(CNO)	C(CCHH)(CH)	C(CC3)(CC)(H)2	C(CCHH)2(CCN)(CNO)	C(CCHH)(CH)	113.5300	0.170	2	113.5300	0.029	2	112.8720	1.486	7	112.8720	1.486	7	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:3:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-2:	C(CC3)(CC)(H)2	C(CCHH)2(COO)2	C(CCHH)(CH)	C(CC3)(CC)(H)2	C(CCHH)2(COO)2	C(CCHH)(CH)	112.1265	1.004	4	112.1265	1.007	4	112.8720	1.486	7	112.8720	1.486	7	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:3:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:C-3:	C-4:C-2:	C(CC3)(CC)(H)2	C(CC[5a]HH)(CCHH)(COO)2	C(CCHH)(CC)	C(CC3)(CC)(H)2	C(CC[5a]HH)(CCHH)(COO)2	C(CCHH)(CC)	114.5380	0.000	1	114.5380	0.000	1	112.8720	1.486	7	112.8720	1.486	7	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:3:3:	4:3:	C-4:C-2:H-1:H-1:	C-4:C-4:C-3:N-3:	C-4:C-3:	C(CCCN)(CC)(H)2	C(CCCH)(CCHH)(CNO)(NCH)	C(CCHH)(CHH)	C(CCCN)(CC)(H)2	C(CCCH)(CCHH)(CNO)(NCH)	C(CCHH)(CHH)	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:1:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-2:C-4:	C(CCCH)(CC)(H)2	C(CCCF)(CCHH)2(H)	C(CC[5a])(CCHH)	C(CCCH)(CC)(H)2	C(CCCF)(CCHH)2(H)	C(CC[5a])(CCHH)	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:1:	4:2:	C-4:C-2:F-1:F-1:	C-4:C-4:C-4:H-1:	C-4:C-2:	C(CCCH)(CC)(F)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(CCFF)(CC)	C(CCCH)(CC)(F)2	C(CC[6a]HH)(CCFF)(CCHH)(H)	C(CCFF)(CC)	111.3430	0.173	2	111.3430	0.030	2	111.3430	0.030	2	112.4597	1.007	8	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-2:	C(CCCH)(CC)(H)2	C(CCCH)(CCHH)(CHHO)(H)	C(CCHH)(CH)	C(CCCH)(CC)(H)2	C(CCCH)(CCHH)(CHHO)(H)	C(CCHH)(CH)	113.2013	0.301	4	113.2013	0.091	4	112.8320	0.739	6	112.4597	1.007	8	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:1:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-2:	C(CCCH)(CC)(H)2	C(CC[6a]OO)(CCHH)(CH3)(H)	C(CCHH)(CC)	C(CCCH)(CC)(H)2	C(CC[6a]OO)(CCHH)(CH3)(H)	C(CCHH)(CC)	112.0935	1.336	2	112.0935	1.784	2	112.8320	0.739	6	112.4597	1.007	8	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:2:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-2:	C(CCCO)(CC)(H)2	C(CCCO)(CCHH)(CH3)(OH)	C(CCHH)(CH)	C(CCCO)(CC)(H)2	C(CCCO)(CCHH)(CH3)(OH)	C(CCHH)(CH)	112.7975	0.306	2	112.7975	0.094	2	112.7975	0.094	2	112.7975	0.094	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:3:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-3:	C-4:C-2:	C(CC3)(CC)(H)2	C(CCHH)(CH3)2(CNO)	C(CCHH)(CC)	C(CC3)(CC)(H)2	C(CCHH)(CH3)2(CNO)	C(CCHH)(CC)	112.7892	1.307	6	112.7892	1.708	6	112.7892	1.708	6	112.7892	1.708	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:4:	2:4:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-2:C-4:	C(CC3)(CC)(H)2	C(CCHH)2(CHHO)2	C(CC[6a])(CCHH)	C(CC3)(CC)(H)2	C(CCHH)2(CHHO)2	C(CC[6a])(CCHH)	114.9995	1.559	2	114.9995	2.431	2	114.9995	2.431	2	114.9995	2.431	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:4:	4:1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:N-1:	C(CC3)(CN)(H)2	C(CCHH)2(CH3)2	C(CCHH)(N)	C(CC3)(CN)(H)2	C(CCHH)2(CH3)2	C(CCHH)(N)	112.7553	0.168	3	112.7553	0.028	3	112.7553	0.028	3	112.7476	0.277	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:4:	4:1:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:N-1:	C(CC[5]CC)(CN)(H)2	C(C[5]C[5]2Co)(CCHH)(CH3)2	C(CCHH)(N)	C(CC[5]CC)(CN)(H)2	C(C[5]C[5]2Co)(CCHH)(CH3)2	C(CCHH)(N)	112.0110	0.000	1	112.0110	0.000	1	112.7360	1.051	2	112.7476	0.277	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:4:	4:1:	C-4:C-2:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C-4:N-1:	C(CC[5]CC)(CN)(H)2	C(C[5]C[5]2Ti)(CCHH)(CH3)2	C(CCHH)(N)	C(CC[5]CC)(CN)(H)2	C(C[5]C[5]2Ti)(CCHH)(CH3)2	C(CCHH)(N)	113.4610	0.000	1	113.4610	0.000	1	112.7360	1.051	2	112.7476	0.277	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:4:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(CC3)(CC)(H)2	C(CCHH)(CHHP)2(CH3)	C(CCHH)(CSi)	C(CC3)(CC)(H)2	C(CCHH)(CHHP)2(CH3)	C(CCHH)(CSi)	112.3500	0.000	1	112.3500	0.000	1	113.1825	1.386	2	113.1825	1.386	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	4:4:4:4:	4:2:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(CC3)(CC)(H)2	C(CCHH)2(CHHO)2	C(CCHH)(CAu)	C(CC3)(CC)(H)2	C(CCHH)2(CHHO)2	C(CCHH)(CAu)	114.0150	0.000	1	114.0150	0.000	1	113.1825	1.386	2	113.1825	1.386	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	5:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[3,3,5,3x6]-5:C-4:H-1:H-1:	C-4:N-1:	C(CC[3,3,5,3x6]HH)(CN)(H)2	C(C[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)(H)2	C(CCHH)(N)	C(CC[3,3,5,3x6]HH)(CN)(H)2	C(C[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]H)(CCHH)(H)2	C(CCHH)(N)	111.5130	0.000	1	111.5130	0.000	1	111.3280	0.068	2	111.3280	0.068	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:1:1:	5:4:1:1:	4:1:	C-4:C-2:H-1:H-1:	C[3,3,5,3x6]-5:C-4:H-1:H-1:	C-4:N-1:	C(CC[3,3,5,3x6]HH)(CN)(H)2	C(C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(CCHH)(H)2	C(CCHH)(N)	C(CC[3,3,5,3x6]HH)(CN)(H)2	C(C[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(CCHH)(H)2	C(CCHH)(N)	111.1430	0.000	1	111.1430	0.000	1	111.3280	0.068	2	111.3280	0.068	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	3:3:3:4:	4:1:	C-4:C-2:C-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(CC[6a]3)(CN)2(H)	C(C[6a]C[6a]2)3(CCCH)	C(CCCH)(N)	C(CC[6a]3)(CN)2(H)	C(C[6a]C[6a]2)3(CCCH)	C(CCCH)(N)	113.2672	0.545	4	113.2672	0.297	4	113.2672	0.297	4	113.2672	0.297	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	3:4:1:1:	4:1:	C-4:C-2:C-2:H-1:	C-3:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)2(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(N)	C(CCHH)(CN)2(H)	C(CC[6a]O)(CCCH)(H)2	C(CCCH)(N)	112.4250	1.827	2	112.4250	3.339	2	112.4250	3.339	2	111.7400	1.739	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	3:4:1:1:	4:1:	C-4:C-2:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(CN)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(N)	C(CC[6a]HH)(CN)2(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(N)	111.0550	0.045	2	111.0550	0.002	2	111.0550	0.002	2	111.7400	1.739	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	3:4:1:1:	4:2:	C-4:C-2:O-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-2:	C(CC[5a]HH)(CC)(OC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CCHO)(CSi)	C(CC[5a]HH)(CC)(OC)(H)	C(C[5a]C[5a,6a]C[5a])(CCHO)(H)2	C(CCHO)(CSi)	113.4770	0.000	1	113.4770	0.000	1	113.4770	0.000	1	113.5290	0.005	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	3:4:1:1:	4:2:	C-4:O-2:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:	C(CC[6a]HH)(OC[6a])(CC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(CH)	C(CC[6a]HH)(OC[6a])(CC)(H)	C(C[6a]C[6a]2)(CCHO)(H)2	C(CCHO)(CH)	113.5810	0.000	1	113.5810	0.000	1	113.5810	0.000	1	113.5290	0.005	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	3:4:3:1:	3:4:	C-4:C-2:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:	C(CC[6a]HN)(CC[6a])(NN)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)	C(CC[6a]HN)(CC[6a])(NN)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	C(C[6a]C[6a]2)(CCHN)	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	3:4:3:2:	4:2:	C-4:C-2:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-2:	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	C(CCHO)(CH)	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OC)	C(CCHO)(CH)	110.5700	0.000	1	110.5700	0.000	1	109.8350	1.080	2	109.8350	1.080	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	3:4:3:2:	4:2:	C-4:C-2:O-2:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-2:	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C(CCHO)(CH)	C(CC[6a]CO)(CC)(OH)(H)	C(C[6a]C[6a]2)(CCHO)(COO)(OH)	C(CCHO)(CH)	109.1000	0.000	1	109.1000	0.000	1	109.8350	1.080	2	109.8350	1.080	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	3:4:4:1:	4:1:	C-4:C-2:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-1:	C(CC[6a]CH)(CN)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	C(CCCH)(N)	C(CC[6a]CH)(CN)2(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(H)	C(CCCH)(N)	112.3777	1.365	4	112.3777	1.863	4	112.3777	1.863	4	112.2298	2.586	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	3:4:4:1:	4:1:	C-4:C-2:C-2:H-1:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:N-1:	C(CC[6a]C[6]H)(CN)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C(CCCH)(N)	C(CC[6a]C[6]H)(CN)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CCCH)(H)	C(CCCH)(N)	112.1312	1.873	6	112.1312	3.508	6	112.1312	3.508	6	112.2298	2.586	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:1:1:1:	2:4:	C-4:C-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)(CC)(OH)(H)	C(CCHO)(H)3	C(CC[6a])(CCHO)	C(CH3)(CC)(OH)(H)	C(CCHO)(H)3	C(CC[6a])(CCHO)	111.7361	0.742	32	111.7361	0.551	32	111.7361	0.551	32	111.7361	0.551	32	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:1:1:1:	4:2:	C-4:C-2:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)(CC)(OH)(H)	C(CCHO)(H)3	C(CCHO)(CC)	C(CH3)(CC)(OH)(H)	C(CCHO)(H)3	C(CCHO)(CC)	111.9643	0.722	16	111.9643	0.521	16	111.9643	0.521	16	111.9643	0.521	16	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:2:2:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:N-1:	C(CCHO)(CN)(OC)(H)	C(CCHO)(CN)(OC)(H)	C(CCHO)(N)	C(CCHO)(CN)(OC)(H)	C(CCHO)(CN)(OC)(H)	C(CCHO)(N)	110.4993	1.273	3	110.4993	1.620	3	109.9847	2.139	4	109.9847	2.139	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:2:2:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-2:O-2:H-1:	C-4:N-1:	C(CCHO)(CN)(OH)(H)	C(CCHO)(CN)(OH)(H)	C(CCHO)(N)	C(CCHO)(CN)(OH)(H)	C(CCHO)(CN)(OH)(H)	C(CCHO)(N)	108.4410	0.000	1	108.4410	0.000	1	109.9847	2.139	4	109.9847	2.139	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:3:1:1:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(OH)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(CC)	C(CCHH)(CC)(OH)(H)	C(CCHO)(CCH)(H)2	C(CCHO)(CC)	111.6140	0.000	1	111.6140	0.000	1	111.6140	0.000	1	111.6140	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:3:2:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-3:O-2:H-1:	C-4:N-1:	C(CCHO)(CN)(OC)(H)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(N)	C(CCHO)(CN)(OC)(H)	C(CCHO)(CNO)(OC)(H)	C(CCHO)(N)	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	110.9180	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:3:2:1:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-3:C-2:H-1:	C-4:C-2:	C(CCCH)(CC)(OH)(H)	C(CCHO)(CCH)(CC)(H)	C(CCHO)(CC)	C(CCCH)(CC)(OH)(H)	C(CCHO)(CCH)(CC)(H)	C(CCHO)(CC)	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	109.7590	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:3:3:1:	2:4:	C-4:C-2:O-2:H-1:	C-4:C-3:N-3:H-1:	C-2:C-4:	C(CCHN)(CC)(OH)(H)	C(CCHO)(COO)(NHS)(H)	C(CC[6a])(CCHO)	C(CCHN)(CC)(OH)(H)	C(CCHO)(COO)(NHS)(H)	C(CC[6a])(CCHO)	110.8360	0.000	2	110.8360	0.000	2	110.8360	0.000	2	110.8360	0.000	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:1:1:	2:4:	C-4:C-2:C-2:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CC)(CN)(H)	C(CCCH)(CH3)(H)2	C(CC[6a])(CCCH)	C(CCHH)(CC)(CN)(H)	C(CCCH)(CH3)(H)2	C(CC[6a])(CCCH)	111.4695	1.273	2	111.4695	1.622	2	111.4695	1.622	2	111.4695	1.622	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:1:1:	4:1:	C-4:C-2:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CC)(CN)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(N)	C(CCHH)(CC)(CN)(H)	C(CCCH)(CH3)(H)2	C(CCCH)(N)	111.4100	0.851	2	111.4100	0.725	2	111.7925	0.972	4	111.4711	1.197	8	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:1:1:	4:1:	C-4:C-2:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)2(H)	C(CC[6a]2H)(CCCH)(H)2	C(CCCH)(N)	C(CCHH)(CN)2(H)	C(CC[6a]2H)(CCCH)(H)2	C(CCCH)(N)	112.1750	1.267	2	112.1750	1.606	2	111.7925	0.972	4	111.4711	1.197	8	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:1:1:	4:1:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CN)(OS)(H)	C(CCHN)(CCHO)(H)2	C(CCHO)(N)	C(CCHH)(CN)(OS)(H)	C(CCHN)(CCHO)(H)2	C(CCHO)(N)	112.9880	0.000	1	112.9880	0.000	1	112.9880	0.000	1	111.4711	1.197	8	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:1:1:	4:1:	C-4:C-2:O-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CN)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CCHO)(N)	C(CC[5]HH)(CN)(OC)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C(CCHO)(N)	110.5370	0.254	3	110.5370	0.065	3	110.5370	0.065	3	111.4711	1.197	8	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:1:1:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-4:Cl-1:Cl-1:	C-4:C-2:	C(CCl2C)(CC)(OH)(H)	C(CCCH)(CCHO)(Cl)2	C(CCHO)(CC)	C(CCl2C)(CC)(OH)(H)	C(CCCH)(CCHO)(Cl)2	C(CCHO)(CC)	112.7520	0.000	1	112.7520	0.000	1	112.7520	0.000	1	111.6967	0.509	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:1:1:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CC)	C(CCHH)(CC)(OC)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CC)	111.2980	0.000	1	111.2980	0.000	1	111.3450	0.021	3	111.6967	0.509	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:1:1:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CC)	C(CCHH)(CC)(OH)(H)	C(CCHH)(CCHO)(H)2	C(CCHO)(CC)	111.3685	0.197	2	111.3685	0.039	2	111.3450	0.021	3	111.6967	0.509	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:2:1:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-2:	C(CCHO)(CC)(OC)(H)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(CC)	C(CCHO)(CC)(OC)(H)	C(CCHO)(CHHN)(OC)(H)	C(CCHO)(CC)	106.3290	0.000	1	106.3290	0.000	1	109.0645	14.966	2	109.0645	14.966	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:2:1:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-2:	C(CCHO)(CC)(OH)(H)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CC)	C(CCHO)(CC)(OH)(H)	C(CCHO)(CH3)(OC)(H)	C(CCHO)(CC)	111.8000	0.000	1	111.8000	0.000	1	109.0645	14.966	2	109.0645	14.966	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:4:1:	4:2:	C-4:C-2:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-2:	C(CCCH)(CC)(NS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(CSi)	C(CCCH)(CC)(NS)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(CSi)	111.9650	0.000	1	111.9650	0.000	1	111.9650	0.000	1	111.1150	0.544	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:4:1:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-2:	C(CCCH)(CC)(OH)(H)	C(CCCO)(CCHH)(CCHO)(H)	C(CCHO)(CH)	C(CCCH)(CC)(OH)(H)	C(CCCO)(CCHH)(CCHO)(H)	C(CCHO)(CH)	110.5520	0.445	2	110.5520	0.198	2	110.8317	0.334	3	111.1150	0.544	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:4:1:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-2:	C(CCCH)(CC)(OH)(H)	C(CCHO)(CH3)2(H)	C(CCHO)(CC)	C(CCCH)(CC)(OH)(H)	C(CCHO)(CH3)2(H)	C(CCHO)(CC)	111.3910	0.000	1	111.3910	0.000	1	110.8317	0.334	3	111.1150	0.544	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:4:2:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-2:	C(CCCO)(CC)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	C(CCHO)(CH)	C(CCCO)(CC)(OH)(H)	C(CCHH)(CCHO)(CH3)(OC)	C(CCHO)(CH)	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:4:3:	4:1:	C-4:C-2:C-2:H-1:	C-4:C-4:C-4:C-3:	C-4:N-1:	C(CC3)(CN)2(H)	C(CCCH)(CH3)2(CCH)	C(CCCH)(N)	C(CC3)(CN)2(H)	C(CCCH)(CH3)2(CCH)	C(CCCH)(N)	112.5405	0.640	4	112.5405	0.409	4	112.5405	0.409	4	112.5405	0.409	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:4:4:	4:1:	C-4:C-2:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:N-1:	C(CC3)(CN)(NC)(H)	C(CCHN)(CH3)3	C(CCHN)(N)	C(CC3)(CN)(NC)(H)	C(CCHN)(CH3)3	C(CCHN)(N)	111.8745	0.624	2	111.8745	0.390	2	111.8745	0.390	2	111.8745	0.390	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:4:4:	4:2:	C-4:C-2:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(CC3)(CC)(NS)(H)	C(CCHN)(CH3)3	C(CCHN)(CP)	C(CC3)(CC)(NS)(H)	C(CCHN)(CH3)3	C(CCHN)(CP)	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	112.6995	2.387	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:1:	4:4:4:4:	4:2:	C-4:C-2:O-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(CC3)(CC)(OC)(H)	C(CCHO)(CHHO)(CH3)2	C(CCHO)(CC)	C(CC3)(CC)(OC)(H)	C(CCHO)(CHHO)(CH3)2	C(CCHO)(CC)	113.7920	0.000	1	113.7920	0.000	1	113.7920	0.000	1	112.6995	2.387	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:2:	4:1:1:1:	4:2:	C-4:C-2:C-2:O-2:	C-4:F-1:F-1:F-1:	C-4:C-2:	C(CF3)(CC)2(OC)	C(CCCO)(F)3	C(CCCO)(CC)	C(CF3)(CC)2(OC)	C(CCCO)(F)3	C(CCCO)(CC)	108.9560	0.096	2	108.9560	0.009	2	108.9560	0.009	2	108.9560	0.009	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:2:	4:4:1:1:	4:2:	C-4:C-2:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CC)2(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CC)	C(CCHH)(CC)2(OC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CC)	110.1660	0.815	2	110.1660	0.664	2	110.1660	0.664	2	110.1660	0.664	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:2:2:2:	4:4:4:4:	4:2:	C-4:C-2:C-2:O-2:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(CC3)(CC)2(OC)	C(CCCO)(CH3)3	C(CCCO)(CC)	C(CC3)(CC)2(OC)	C(CCCO)(CH3)3	C(CCCO)(CC)	110.9695	0.808	2	110.9695	0.653	2	110.9695	0.653	2	110.9695	0.653	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:C-2:H-1:	B[5]-3:C-4:H-1:H-1:	C-4:N-1:	C(CB[5]HH)(CCH)(CN)(H)	C(B[5]O[5]2)(CCCH)(H)2	C(CCCH)(N)	C(CB[5]HH)(CCH)(CN)(H)	C(B[5]O[5]2)(CCCH)(H)2	C(CCCH)(N)	108.7230	0.369	2	108.7230	0.136	2	108.7230	0.136	2	110.0768	1.813	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	3:4:1:1:	4:1:	C-4:C-3:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(CC[5a]O)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(N)	C(CC[6a]HH)(CC[5a]O)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(N)	110.7537	1.069	4	110.7537	1.143	4	110.7537	1.143	4	110.0768	1.813	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	3:4:1:1:	4:2:	C-4:N-3:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:	C(CC[6a]HH)(NCH)(CC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH)	C(CC[6a]HH)(NCH)(CC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	C(CCHN)(CH)	112.7690	0.000	1	112.7690	0.000	1	112.7690	0.000	1	112.7690	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	3:4:4:1:	4:1:	C-4:C-3:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-1:	C(CC[6a]CH)(COO)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(N)	C(CC[6a]CH)(COO)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(CCHH)(H)	C(CCCH)(N)	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.4075	0.607	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	3:4:4:1:	4:1:	C-4:N-3:C-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:N-1:	C(CC[6a]CH)(NHS)(CN)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CCHN)(N)	C(CC[6a]CH)(NHS)(CN)(H)	C(C[6a]C[6a]2)(CCHN)(CH3)(H)	C(CCHN)(N)	111.2163	0.831	3	111.2163	0.691	3	111.2163	0.691	3	111.4075	0.607	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:1:1:1:	2:4:	C-4:N-3:C-2:H-1:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)(NCH)(CC)(H)	C(CCHN)(H)3	C(CC[6a])(CCHN)	C(CH3)(NCH)(CC)(H)	C(CCHN)(H)3	C(CC[6a])(CCHN)	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:1:1:1:	4:1:	C-4:N-3:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)(NCH)(CH)(H)	C(CCHN)(H)3	C(CCHN)(H)	C(CH3)(NCH)(CH)(H)	C(CCHN)(H)3	C(CCHN)(H)	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	112.5320	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:2:1:1:	2:4:	C-4:C-3:C-2:H-1:	C-4:O-2:H-1:H-1:	C-2:C-4:	C(CHHO)(CCH)(CC)(H)	C(CCCH)(OC)(H)2	C(CC[6a])(CCCH)	C(CHHO)(CCH)(CC)(H)	C(CCCH)(OC)(H)2	C(CC[6a])(CCCH)	106.7765	0.692	2	106.7765	0.479	2	106.7765	0.479	2	106.7765	0.479	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:2:2:1:	2:4:	C-4:C-3:C-2:H-1:	C-4:C-2:O-2:H-1:	C-2:C-4:	C(CCHO)(CCH)(CC)(H)	C(CCCH)(CC)(OH)(H)	C(CC[6])(CCCH)	C(CCHO)(CCH)(CC)(H)	C(CCCH)(CC)(OH)(H)	C(CC[6])(CCCH)	105.1590	0.000	1	105.1590	0.000	1	105.1590	0.000	1	105.1590	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:3:1:1:	4:1:	C-4:N-3:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(CCHH)(NCH)(CN)(H)	C(CCHN)(CCC)(H)2	C(CCHN)(N)	C(CCHH)(NCH)(CN)(H)	C(CCHN)(CCC)(H)2	C(CCHN)(N)	109.5780	0.025	2	109.5780	0.001	2	109.5780	0.001	2	109.5780	0.001	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:3:1:1:	4:2:	C-4:N-3:C-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:	C(CCHH)(NHS)(CC)(H)	C(CCHN)(COO)(H)2	C(CCHN)(CSi)	C(CCHH)(NHS)(CC)(H)	C(CCHN)(COO)(H)2	C(CCHN)(CSi)	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:3:2:1:	4:1:	C-4:N-3:C-2:H-1:	C-4:N-3:C-2:H-1:	C-4:N-1:	C(CCHN)(NCC)(CN)(H)	C(CCHN)(NCC)(CN)(H)	C(CCHN)(N)	C(CCHN)(NCC)(CN)(H)	C(CCHN)(NCC)(CN)(H)	C(CCHN)(N)	108.4963	1.584	3	108.4963	2.510	3	108.4963	2.510	3	108.4963	2.510	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:4:1:1:	4:1:	C-4:N-3:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(NCC)(CN)(H)	C(CC[6a]HH)(CCHN)(H)2	C(CCHN)(N)	C(CCHH)(NCC)(CN)(H)	C(CC[6a]HH)(CCHN)(H)2	C(CCHN)(N)	112.2850	0.147	2	112.2850	0.022	2	111.2957	1.312	4	111.2957	1.312	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:4:1:1:	4:1:	C-4:N-3:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(NHS)(CN)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(N)	C(CCHH)(NHS)(CN)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(N)	110.3065	0.037	2	110.3065	0.001	2	111.2957	1.312	4	111.2957	1.312	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:4:4:1:	4:1:	C-4:N-3:C-2:H-1:	C-4:C-4:C-4:H-1:	C-4:N-1:	C(CCCH)(NCN)(CN)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(N)	C(CCCH)(NCN)(CN)(H)	C(CCHN)(CH3)2(H)	C(CCHN)(N)	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	109.1390	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:1:	4:4:4:4:	4:1:	C-4:N-3:C-2:H-1:	C-4:C-4:C-4:C-4:	C-4:N-1:	C(CC3)(NHS)(CN)(H)	C(CCHN)(CH3)3	C(CCHN)(N)	C(CC3)(NHS)(CN)(H)	C(CCHN)(CH3)3	C(CCHN)(N)	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:2:	3:4:1:1:	2:4:	C-4:C-3:C-2:O-2:	C[5a]-3:C-4:H-1:H-1:	C-2:C-4:	C(CC[5a]HH)(COO)(CC)(OH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C(CC[6a])(CCCO)	C(CC[5a]HH)(COO)(CC)(OH)	C(C[5a]C[5a]O[5a])(CCCO)(H)2	C(CC[6a])(CCCO)	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:2:	3:4:1:1:	4:1:	C-4:C-3:C-2:O-2:	C[6a]-3:C-4:Br-1:H-1:	C-4:N-1:	C(CC[6a]BrH)(CNO)(CN)(OH)	C(C[6a]C[6a]2)(CCCO)(Br)(H)	C(CCCO)(N)	C(CC[6a]BrH)(CNO)(CN)(OH)	C(C[6a]C[6a]2)(CCCO)(Br)(H)	C(CCCO)(N)	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:2:	3:4:3:1:	4:1:	C-4:C-3:C-2:O-2:	C[6a]-3:C-4:N-3:H-1:	C-4:N-1:	C(CC[6a]HN)(COO)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	C(CCCO)(N)	C(CC[6a]HN)(COO)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(NCH)(H)	C(CCCO)(N)	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:2:	4:1:1:1:	2:4:	C-4:C-3:C-2:O-2:	C-4:F-1:F-1:F-1:	C-2:C-4:	C(CF3)(COO)(CC)(OH)	C(CCCO)(F)3	C(CC[6a])(CCCO)	C(CF3)(COO)(CC)(OH)	C(CCCO)(F)3	C(CC[6a])(CCCO)	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:2:	4:1:1:1:	4:1:	C-4:C-3:C-2:N-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CH3)(CNO)(CN)(NC)	C(CCCN)(H)3	C(CCCN)(N)	C(CH3)(CNO)(CN)(NC)	C(CCCN)(H)3	C(CCCN)(N)	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:2:2:	4:4:1:1:	4:1:	C-4:C-3:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(COO)(CN)(OC)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(N)	C(CCHH)(COO)(CN)(OC)	C(CC[6a]HH)(CCCO)(H)2	C(CCCO)(N)	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:3:2:	3:4:1:1:	4:1:	C-4:C-3:C-3:C-2:	C[5a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[5a]HH)(CCN)(COO)(CN)	C(C[5a]C[5a]O[5a])(CC3)(H)2	C(CC3)(N)	C(CC[5a]HH)(CCN)(COO)(CN)	C(C[5a]C[5a]O[5a])(CC3)(H)2	C(CC3)(N)	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:3:2:	4:1:1:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CH3)(CCH)(CHH)(CN)	C(CC3)(H)3	C(CC3)(N)	C(CH3)(CCH)(CHH)(CN)	C(CC3)(H)3	C(CC3)(N)	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:3:2:	4:4:1:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CCC)(COO)(CN)	C(CClHH)(CC3)(H)2	C(CC3)(N)	C(CCHH)(CCC)(COO)(CN)	C(CClHH)(CC3)(H)2	C(CC3)(N)	109.0310	0.000	1	109.0310	0.000	1	109.4786	0.388	5	109.4786	0.388	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:3:2:	4:4:1:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CCH)(COO)(CN)	C(CC[6a]HH)(CC3)(H)2	C(CC3)(N)	C(CCHH)(CCH)(COO)(CN)	C(CC[6a]HH)(CC3)(H)2	C(CC3)(N)	109.7527	0.703	3	109.7527	0.494	3	109.4786	0.388	5	109.4786	0.388	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:3:2:	4:4:1:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CCH)(COO)(CN)	C(CSiHH)(CC3)(H)2	C(CC3)(N)	C(CCHH)(CCH)(COO)(CN)	C(CSiHH)(CC3)(H)2	C(CC3)(N)	109.1040	0.000	1	109.1040	0.000	1	109.4786	0.388	5	109.4786	0.388	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:3:2:	4:4:2:1:	4:2:	C-4:C-3:N-3:C-2:	C-4:C-4:O-2:H-1:	C-4:C-2:	C(CCHO)(CCO)(NHS)(CC)	C(CCCN)(CCHH)(OSi)(H)	C(CCCN)(CH)	C(CCHO)(CCO)(NHS)(CC)	C(CCCN)(CCHH)(OSi)(H)	C(CCCN)(CH)	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:3:2:	4:4:4:1:	4:1:	C-4:C-3:C-3:C-2:	C-4:C-4:C-4:H-1:	C-4:N-1:	C(CCCH)(CCC)(COO)(CN)	C(CC3)(CH3)2(H)	C(CC3)(N)	C(CCCH)(CCC)(COO)(CN)	C(CC3)(CH3)2(H)	C(CC3)(N)	108.2445	0.479	2	108.2445	0.229	2	108.2445	0.229	2	108.2445	0.229	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:4:2:	2:4:1:1:	4:1:	C-4:C-3:C-4:C-2:	S-2:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	C(SC[6a])(CC3)(H)2	C(CC3)(N)	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	C(SC[6a])(CC3)(H)2	C(CC3)(N)	105.6870	0.000	1	105.6870	0.000	1	105.6870	0.000	1	105.6870	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:4:2:	3:3:4:1:	4:1:	C-4:C-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-1:	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C(CC3)(N)	C(CC[6a]2H)(CC[6a]O)(CHHS)(CN)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC3)(H)	C(CC3)(N)	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:4:2:	4:1:1:1:	4:2:	C-4:N-3:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:O-2:	C(CHHO)(NNiC)(CH3)(CO)	C(CCCN)(H)3	C(CCCN)(OH)	C(CHHO)(NNiC)(CH3)(CO)	C(CCCN)(H)3	C(CCCN)(OH)	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:4:2:	4:3:1:1:	4:1:	C[6]-4:C[6a]-3:C-4:C-2:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]C[6]C)(CCH)(H)2	C(CC[6a]C[6]C)(N)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]C[6]C)(CCH)(H)2	C(CC[6a]C[6]C)(N)	106.3070	0.140	4	106.3070	0.020	4	106.3070	0.020	4	106.3070	0.020	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:3:4:2:	4:3:1:1:	4:2:	C-4:N-3:C-4:C-2:	C-4:O-3:H-1:H-1:	C-4:O-2:	C(CHHO)(NNiC)(CH3)(CO)	C(CCCN)(ONiH)(H)2	C(CCCN)(OH)	C(CHHO)(NNiC)(CH3)(CO)	C(CCCN)(ONiH)(H)2	C(CCCN)(OH)	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	3:3:3:4:	2:4:	C-4:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C-2:C-4:	C(CC[6a]3)(CH3)(CC)(H)	C(C[6a]C[6a]2)3(CCCH)	C(CC[6a])(CCCH)	C(CC[6a]3)(CH3)(CC)(H)	C(C[6a]C[6a]2)3(CCCH)	C(CC[6a])(CCCH)	113.0450	0.000	1	113.0450	0.000	1	113.0450	0.000	1	113.0450	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	3:3:4:1:	4:1:	C-4:C-4:C-2:H-1:	C[6a]-3:N-3:C-4:H-1:	C-4:N-1:	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CCCH)(N)	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)(H)	C(CCCH)(N)	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	3:4:1:1:	2:4:	C-4:C-4:C-2:H-1:	C-3:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CCHO)(CC)(H)	C(CC[6a]N)(CCCH)(H)2	C(CC[6a])(CCCH)	C(CCHH)(CCHO)(CC)(H)	C(CC[6a]N)(CCCH)(H)2	C(CC[6a])(CCCH)	110.7755	0.665	2	110.7755	0.443	2	110.7755	0.443	2	110.9878	0.239	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	3:4:1:1:	2:4:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-2:C-4:	C(CC[6a]HH)(CHHN)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a])(CCCH)	C(CC[6a]HH)(CHHN)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CC[6a])(CCCH)	111.4170	0.000	1	111.4170	0.000	1	111.4170	0.000	1	110.9878	0.239	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	3:4:1:1:	2:4:	C-4:C-4:C-2:H-1:	N-3:C-4:H-1:H-1:	C-2:C-4:	C(CC[6a]HH)(CHHN)(CC)(H)	C(NC[6a]H)(CCCH)(H)2	C(CC[6a])(CCCH)	C(CC[6a]HH)(CHHN)(CC)(H)	C(NC[6a]H)(CCCH)(H)2	C(CC[6a])(CCCH)	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	110.9878	0.239	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(N)	C(CC[6a]HH)(CC[6a]HN)(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(N)	111.0200	0.000	1	111.0200	0.000	1	110.9260	0.755	3	110.9260	0.755	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:1:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)2(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(N)	C(CC[6a]HH)2(CN)(H)	C(C[6a]C[6a]2)(CCCH)(H)2	C(CCCH)(N)	110.8790	1.223	2	110.8790	1.496	2	110.9260	0.755	3	110.9260	0.755	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	3:4:1:1:	4:2:	C-4:C-4:C-2:F-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:	C(CC[6a]HH)(CCHH)(CC)(F)	C(C[6a]C[6a]2)(CCCF)(H)2	C(CCCF)(CC)	C(CC[6a]HH)(CCHH)(CC)(F)	C(C[6a]C[6a]2)(CCCF)(H)2	C(CCCF)(CC)	115.7100	0.000	1	115.7100	0.000	1	115.7100	0.000	1	115.7100	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	3:4:2:1:	2:4:	C-4:C-4:C-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-2:C-4:	C(CC[6a]HO)(CHHO)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a])(CCCH)	C(CC[6a]HO)(CHHO)(CC)(H)	C(C[6a]C[6a]2)(CCCH)(OH)(H)	C(CC[6a])(CCCH)	111.8440	2.126	2	111.8440	4.518	2	111.8440	4.518	2	111.8440	4.518	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	2:4:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CC[6a]3)(CH3)(CC)(H)	C(CCCH)(H)3	C(CC[6a])(CCCH)	C(CC[6a]3)(CH3)(CC)(H)	C(CCCH)(H)3	C(CC[6a])(CCCH)	108.5090	0.000	1	108.5090	0.000	1	109.6938	7.028	5	110.2436	5.581	7	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	2:4:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)2(CC)(H)	C(CCCH)(H)3	C(CC[6a])(CCCH)	C(CH3)2(CC)(H)	C(CCCH)(H)3	C(CC[6a])(CCCH)	109.9900	2.964	4	109.9900	8.786	4	109.6938	7.028	5	110.2436	5.581	7	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	2:4:	C-4:N-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)(NC3)(CC)(H)	C(CCHN)(H)3	C(CC[6a])(CCHN)	C(CH3)(NC3)(CC)(H)	C(CCHN)(H)3	C(CC[6a])(CCHN)	111.6180	0.291	2	111.6180	0.085	2	111.6180	0.085	2	110.2436	5.581	7	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CHHP)(CH3)(CN)(H)	C(CCCH)(H)3	C(CCCH)(N)	C(CHHP)(CH3)(CN)(H)	C(CCCH)(H)3	C(CCCH)(N)	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	109.4253	4.498	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:	C[5]-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[5]C[5]2H)(CH3)(CN)(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(N)	C(C[5]C[5]2H)(CH3)(CN)(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(N)	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	109.4253	4.498	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:	P-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(PIrCC)(CH3)(CH)(H)	C(CCHP)(H)3	C(CCHP)(H)	C(PIrCC)(CH3)(CH)(H)	C(CCHP)(H)3	C(CCHP)(H)	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	109.4253	4.498	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:1:	S-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(SC[6a]OO)(CH3)(CN)(H)	C(CCHS)(H)3	C(CCHS)(N)	C(SC[6a]OO)(CH3)(CN)(H)	C(CCHS)(H)3	C(CCHS)(N)	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	109.4253	4.498	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:C-2:Cl-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CCHN)(CH3)(CC)(Cl)	C(CClCC)(H)3	C(CClCC)(CH)	C(CCHN)(CH3)(CC)(Cl)	C(CClCC)(H)3	C(CClCC)(CH)	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	110.3758	1.882	26	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CCCO)(CH3)(CC)(H)	C(CCCH)(H)3	C(CCCH)(CSi)	C(CCCO)(CH3)(CC)(H)	C(CCCH)(H)3	C(CCCH)(CSi)	108.9430	0.000	1	108.9430	0.000	1	109.5472	2.392	6	110.3758	1.882	26	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CCHH)(CH3)(CC)(H)	C(CCCH)(H)3	C(CCCH)(CH)	C(CCHH)(CH3)(CC)(H)	C(CCCH)(H)3	C(CCCH)(CH)	107.8200	0.000	2	107.8200	0.000	2	109.5472	2.392	6	110.3758	1.882	26	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CCHO)(CH3)(CC)(H)	C(CCCH)(H)3	C(CCCH)(CH)	C(CCHO)(CH3)(CC)(H)	C(CCCH)(H)3	C(CCCH)(CH)	110.7470	0.000	2	110.7470	0.000	2	109.5472	2.392	6	110.3758	1.882	26	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CC[5]HO)(CH3)(CC)(H)	C(CCCH)(H)3	C(CCCH)(CH)	C(CC[5]HO)(CH3)(CC)(H)	C(CCCH)(H)3	C(CCCH)(CH)	111.2060	0.000	1	111.2060	0.000	1	109.5472	2.392	6	110.3758	1.882	26	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)2(CN)(H)	C(CCCH)(H)3	C(CCCH)(NSn)	C(CH3)2(CN)(H)	C(CCCH)(H)3	C(CCCH)(NSn)	109.8702	1.237	8	109.8702	1.530	8	109.8702	1.530	8	110.3758	1.882	26	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:C-2:O-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(CC)(O)	C(CCCO)(H)3	C(CCCO)(CC)	C(CH3)2(CC)(O)	C(CCCO)(H)3	C(CCCO)(CC)	110.0598	0.757	4	110.0598	0.574	4	110.0598	0.574	4	110.3758	1.882	26	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:	C[5]-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[5]C[5]2H)(CH3)(CC)(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(CSi)	C(C[5]C[5]2H)(CH3)(CC)(H)	C(CC[5]CH)(H)3	C(CC[5]CH)(CSi)	111.9040	0.377	4	111.9040	0.142	4	111.9040	0.142	4	110.3758	1.882	26	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:	C[6]-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(CH)	C(C[6]C[6]N[6]H)(CH3)(CC)(H)	C(CC[6]CH)(H)3	C(CC[6]CH)(CH)	110.8550	0.223	2	110.8550	0.050	2	110.8550	0.050	2	110.3758	1.882	26	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:1:1:1:	4:2:	S-4:C-4:C-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(SC[6a]OO)(CH3)(CC)(H)	C(CCHS)(H)3	C(CCHS)(CH)	C(SC[6a]OO)(CH3)(CC)(H)	C(CCHS)(H)3	C(CCHS)(CH)	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	110.3758	1.882	26	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:2:1:1:	2:4:	C-4:C-4:C-2:H-1:	C-4:O-2:H-1:H-1:	C-2:C-4:	C(CC[6a]HO)(CHHO)(CC)(H)	C(CCCH)(OH)(H)2	C(CC[6a])(CCCH)	C(CC[6a]HO)(CHHO)(CC)(H)	C(CCCH)(OH)(H)2	C(CC[6a])(CCCH)	109.5330	1.731	2	109.5330	2.996	2	109.5330	2.996	2	109.5330	2.996	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:3:1:1:	4:2:	C[5]-4:C-4:C-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-2:	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C(CC[5]CH)(NOO)(H)2	C(CC[5]CH)(CC[6a])	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C(CC[5]CH)(NOO)(H)2	C(CC[5]CH)(CC[6a])	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:3:3:1:	4:2:	C-4:C-4:C-2:Cl-1:	C-4:C-3:N-3:H-1:	C-4:C-2:	C(CCHN)(CH3)(CC)(Cl)	C(CClCC)(CNO)(NHS)(H)	C(CClCC)(CH)	C(CCHN)(CH3)(CC)(Cl)	C(CClCC)(CNO)(NHS)(H)	C(CClCC)(CH)	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	108.8560	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:1:1:	2:4:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)2(CC)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a])(CCCH)	C(CCHH)2(CC)(H)	C(CCCH)(CCHH)(H)2	C(CC[6a])(CCCH)	111.7800	0.000	1	111.7800	0.000	1	111.1560	0.779	2	111.1560	0.779	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:1:1:	2:4:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)2(CC)(H)	C(CCCH)(CH3)(H)2	C(CC[6a])(CCCH)	C(CCHH)2(CC)(H)	C(CCCH)(CH3)(H)2	C(CC[6a])(CCCH)	110.5320	0.000	1	110.5320	0.000	1	111.1560	0.779	2	111.1560	0.779	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)2(CN)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(N)	C(CCHH)2(CN)(H)	C(CCCH)(CCHH)(H)2	C(CCCH)(N)	109.8770	0.000	1	109.8770	0.000	1	110.6865	1.311	2	111.2696	3.510	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)2(CN)(H)	C(CCCH)(CF3)(H)2	C(CCCH)(N)	C(CCHH)2(CN)(H)	C(CCCH)(CF3)(H)2	C(CCCH)(N)	111.4960	0.000	1	111.4960	0.000	1	110.6865	1.311	2	111.2696	3.510	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:C-2:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CCHN)(CN)(H)	C(C[5]O[5]2H)(CCCH)(H)2	C(CCCH)(N)	C(CC[5]HH)(CCHN)(CN)(H)	C(C[5]O[5]2H)(CCCH)(H)2	C(CCCH)(N)	111.1470	0.000	1	111.1470	0.000	1	111.1470	0.000	1	111.2696	3.510	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:	C-4:C-4:C-2:H-1:	P-4:C-4:H-1:H-1:	C-4:N-1:	C(CHHP)(CH3)(CN)(H)	C(PPdCC)(CCCH)(H)2	C(CCCH)(N)	C(CHHP)(CH3)(CN)(H)	C(PPdCC)(CCCH)(H)2	C(CCCH)(N)	114.2810	0.000	1	114.2810	0.000	1	114.2810	0.000	1	111.2696	3.510	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:1:	C[5]-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(C[5]C[5]2Fe)(CCHH)(CN)(H)	C(CC[5]CH)2(H)2	C(CC[5]CH)(N)	C(C[5]C[5]2Fe)(CCHH)(CN)(H)	C(CC[5]CH)2(H)2	C(CC[5]CH)(N)	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	111.2696	3.510	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:	C-4:C-4:C-2:F-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CC[6a]HH)(CCHH)(CC)(F)	C(CCCF)(CCHH)(H)2	C(CCCF)(CC)	C(CC[6a]HH)(CCHH)(CC)(F)	C(CCCF)(CCHH)(H)2	C(CCCF)(CC)	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	110.9442	7.282	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:	C-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CH3)(CC)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(CH)	C(CCHH)(CH3)(CC)(H)	C(CC[6]HH)(CCCH)(H)2	C(CCCH)(CH)	112.2620	0.000	2	112.2620	0.000	2	112.2620	0.000	2	110.9442	7.282	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:1:1:	4:2:	N-4:C-4:C-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(NC[6a]CH)(CCHH)(CC)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CH)	C(NC[6a]CH)(CCHH)(CC)(H)	C(CCHH)(CCHN)(H)2	C(CCHN)(CH)	112.3560	0.000	1	112.3560	0.000	1	112.3560	0.000	1	110.9442	7.282	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:2:1:	2:4:	C-4:C-4:C-2:H-1:	C-4:C-4:O-2:H-1:	C-2:C-4:	C(CCHH)(CCHO)(CC)(H)	C(CCCH)(CC3)(OC)(H)	C(CC[6a])(CCCH)	C(CCHH)(CCHO)(CC)(H)	C(CCCH)(CC3)(OC)(H)	C(CC[6a])(CCCH)	113.6670	0.880	2	113.6670	0.774	2	113.6670	0.774	2	113.6670	0.774	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:	C-4:C-4:C-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-2:	C(CCHO)(CH3)(CC)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(CH)	C(CCHO)(CH3)(CC)(H)	C(CCCH)(CC3)(OH)(H)	C(CCCH)(CH)	112.0540	0.000	2	112.0540	0.000	2	112.0540	0.000	2	112.1036	0.766	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:	C-4:C-4:C-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-2:	C(CC[5]HO)(CH3)(CC)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CCCH)(CH)	C(CC[5]HO)(CH3)(CC)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C(CCCH)(CH)	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	112.1036	0.766	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:2:1:	4:2:	C-4:C-4:C-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:C-2:	C(CC[6]HO)2(CC)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CCCH)(CC)	C(CC[6]HO)2(CC)(H)	C(C[6]C[6]2H)(CCCH)(OH)(H)	C(CCCH)(CC)	112.1115	1.747	2	112.1115	3.053	2	112.1115	3.053	2	112.1036	0.766	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:3:1:	4:1:	C-4:C-4:C-2:H-1:	C-4:C-4:N-3:H-1:	C-4:N-1:	C(CC[5]HH)(CCHN)(CN)(H)	C(CCCH)(CCHH)(NHS)(H)	C(CCCH)(N)	C(CC[5]HH)(CCHN)(CN)(H)	C(CCCH)(CCHH)(NHS)(H)	C(CCCH)(N)	106.6310	0.000	1	106.6310	0.000	1	106.6310	0.000	1	106.6310	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:1:	4:4:3:2:	4:2:	C-4:C-4:C-2:H-1:	C-4:C-4:C-3:O-2:	C-4:C-2:	C(CCCO)(CH3)(CC)(H)	C(CCCH)(CH3)(CCH)(OC)	C(CCCH)(CSi)	C(CCCO)(CH3)(CC)(H)	C(CCCH)(CH3)(CCH)(OC)	C(CCCH)(CSi)	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	109.6930	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:	C-4:C-4:C-2:C-2:	C[5a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[5a]HH)(CCCH)(CN)2	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CC3)(N)	C(CC[5a]HH)(CCCH)(CN)2	C(C[5a]C[5a,6a]C[5a])(CC3)(H)2	C(CC3)(N)	107.8275	4.300	2	107.8275	18.489	2	107.8275	18.489	2	109.2387	2.657	21	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]CH)(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(N)	C(CC[6a]CH)(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(N)	109.2640	1.141	2	109.2640	1.302	2	109.0544	1.334	14	109.2387	2.657	21	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(CCHH)(CN)2	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(CC3)(N)	C(CC[6a]HH)(CCHH)(CN)2	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(CC3)(N)	109.7205	0.639	2	109.7205	0.408	2	109.0544	1.334	14	109.2387	2.657	21	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(N)	C(CC[6a]HH)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(N)	108.1825	0.733	4	108.1825	0.538	4	109.0544	1.334	14	109.2387	2.657	21	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(CCHN)(CN)2	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(CC3)(N)	C(CC[6a]HH)(CCHN)(CN)2	C(C[6a]C[6a,6a]C[6a])(CC3)(H)2	C(CC3)(N)	109.7550	1.288	2	109.7550	1.660	2	109.0544	1.334	14	109.2387	2.657	21	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(CH3)(CN)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(N)	C(CC[6a]HH)(CH3)(CN)2	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(N)	109.1380	1.564	4	109.1380	2.445	4	109.0544	1.334	14	109.2387	2.657	21	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:	C[5]-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CC[5]CC)(H)2	C(CC[5]CC)(N)	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CC[5]CC)(H)2	C(CC[5]CC)(N)	111.2700	1.249	2	111.2700	1.559	2	110.7775	0.936	4	109.2387	2.657	21	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:	C[5]-4:C-4:C-2:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(C[5]C[5]2H)(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CC[5]CC)(H)2	C(CC[5]CC)(N)	C(C[5]C[5]2H)(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CC[5]CC)(H)2	C(CC[5]CC)(N)	110.2850	0.529	2	110.2850	0.280	2	110.7775	0.936	4	109.2387	2.657	21	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:1:1:	4:1:	C[6]-4:C-4:C-2:N-2:	C[5a]-3:C-4:H-1:H-1:	C-4:N-1:	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	C(CC[6]CN)(N)	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	C(CC[6]CN)(N)	108.4870	0.000	1	108.4870	0.000	1	108.4870	0.000	1	109.2387	2.657	21	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:2:1:	2:4:	C-4:C-4:C-2:O-2:	C-3:C-4:N-2:H-1:	C-2:C-4:	C(CCHN)(CF3)(CC)(OH)	C(CN[5]O)(CCCO)(NN)(H)	C(CC[6a])(CCCO)	C(CCHN)(CF3)(CC)(OH)	C(CN[5]O)(CCCO)(NN)(H)	C(CC[6a])(CCCO)	108.8685	0.035	2	108.8685	0.001	2	108.8685	0.001	2	108.8685	0.001	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:3:1:	4:1:	C-4:C-4:C-2:O-2:	C[6a]-3:C-4:C-3:H-1:	C-4:N-1:	C(CC[6a]CH)(CH3)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CCCO)(N)	C(CC[6a]CH)(CH3)(CN)(OC)	C(C[6a]C[6a]2)(CCCO)(CCH)(H)	C(CCCO)(N)	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:4:1:	4:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:C-4:H-1:	C-4:N-1:	C(CC[6a]CH)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(CC3)(N)	C(CC[6a]CH)(CCHH)(CN)2	C(C[6a]C[6a]2)(CC[6a]CC)(CC3)(H)	C(CC3)(N)	113.5175	0.977	2	113.5175	0.954	2	111.3385	8.434	4	112.0664	4.224	14	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:4:1:	4:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:C-4:H-1:	C-4:N-1:	C(CC[6a]CH)(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC3)(N)	C(CC[6a]CH)(CC[6a]HH)(CN)2	C(C[6a]C[6a]2)(CCHH)(CC3)(H)	C(CC3)(N)	109.1595	2.314	2	109.1595	5.356	2	111.3385	8.434	4	112.0664	4.224	14	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:4:1:	4:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C-4:P-4:H-1:	C-4:N-1:	C(CC[6a]HP)(CH3)(CN)2	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C(CC3)(N)	C(CC[6a]HP)(CH3)(CN)2	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C(CC3)(N)	112.2105	0.274	2	112.2105	0.075	2	112.2105	0.075	2	112.0664	4.224	14	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:4:1:	4:1:	C-4:C-4:C-2:C-2:	C[6a]-3:C[6]-4:C-4:H-1:	C-4:N-1:	C(CC[6a]C[6]H)(CCHH)(CN)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C(CC3)(N)	C(CC[6a]C[6]H)(CCHH)(CN)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(CC3)(H)	C(CC3)(N)	113.3883	0.730	6	113.3883	0.533	6	113.3883	0.533	6	112.0664	4.224	14	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	3:4:4:1:	4:1:	C-4:C-4:C-2:C-2:	N-3:C-4:C-4:H-1:	C-4:N-1:	C(CC[6a]HH)(CCHN)(CN)2	C(NC[6a]C)(CC3)(CH3)(H)	C(CC3)(N)	C(CC[6a]HH)(CCHN)(CN)2	C(NC[6a]C)(CC3)(CH3)(H)	C(CC3)(N)	109.4125	0.367	2	109.4125	0.135	2	109.4125	0.135	2	112.0664	4.224	14	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	2:4:	C-4:C-4:C-2:O-2:	C-4:F-1:F-1:F-1:	C-2:C-4:	C(CCHN)(CF3)(CC)(OH)	C(CCCO)(F)3	C(CC[6a])(CCCO)	C(CCHN)(CF3)(CC)(OH)	C(CCCO)(F)3	C(CC[6a])(CCCO)	107.0730	0.503	2	107.0730	0.253	2	107.0730	0.253	2	109.8258	0.789	85	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	2:4:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)2(CC)(OH)	C(CCCO)(H)3	C(CC[5])(CCCO)	C(CH3)2(CC)(OH)	C(CCCO)(H)3	C(CC[5])(CCCO)	109.1393	0.706	4	109.1393	0.499	4	109.8922	0.616	83	109.8258	0.789	85	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	2:4:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)2(CC)(OH)	C(CCCO)(H)3	C(CC[6a])(CCCO)	C(CH3)2(CC)(OH)	C(CCCO)(H)3	C(CC[6a])(CCCO)	109.9303	0.773	79	109.9303	0.598	79	109.8922	0.616	83	109.8258	0.789	85	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:C-2:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(CH3)(CN)2	C(CC3)(H)3	C(CC3)(N)	C(CC[6a]HH)(CH3)(CN)2	C(CC3)(H)3	C(CC3)(N)	109.3427	0.614	4	109.3427	0.377	4	109.1365	1.131	6	109.4361	1.039	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:C-2:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[6a]HP)(CH3)(CN)2	C(CC3)(H)3	C(CC3)(N)	C(CC[6a]HP)(CH3)(CN)2	C(CC3)(H)3	C(CC3)(N)	108.7240	2.004	2	108.7240	4.016	2	109.1365	1.131	6	109.4361	1.039	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:C-2:N-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CH3)2(CN)(NC)	C(CCCN)(H)3	C(CCCN)(N)	C(CH3)2(CN)(NC)	C(CCCN)(H)3	C(CCCN)(N)	108.5070	1.816	2	108.5070	3.297	2	109.1933	1.747	4	109.4361	1.039	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:C-2:N-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CH3)2(CN)(NN)	C(CCCN)(H)3	C(CCCN)(N)	C(CH3)2(CN)(NN)	C(CCCN)(H)3	C(CCCN)(N)	109.8795	0.247	2	109.8795	0.061	2	109.1933	1.747	4	109.4361	1.039	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[6a]CH)(CH3)(CN)(OC)	C(CCCO)(H)3	C(CCCO)(N)	C(CC[6a]CH)(CH3)(CN)(OC)	C(CCCO)(H)3	C(CCCO)(N)	110.5250	0.000	1	110.5250	0.000	1	110.1800	0.246	3	109.4361	1.039	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CH3)2(CN)(OO)	C(CCCO)(H)3	C(CCCO)(N)	C(CH3)2(CN)(OO)	C(CCCO)(H)3	C(CCCO)(N)	110.0075	0.561	2	110.0075	0.314	2	110.1800	0.246	3	109.4361	1.039	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-2:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[5]C[5,6a]O[5]H)(CH3)(CN)2	C(CC[5]CC)(H)3	C(CC[5]CC)(N)	C(C[5]C[5,6a]O[5]H)(CH3)(CN)2	C(CC[5]CC)(H)3	C(CC[5]CC)(N)	109.7045	0.763	2	109.7045	0.582	2	109.7045	0.582	2	109.4361	1.039	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(H)3	C(CCCO)(CC)	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(H)3	C(CCCO)(CC)	110.7610	2.126	2	110.7610	4.518	2	109.8053	0.913	20	109.8238	0.811	23	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(CC)(OC)	C(CCCO)(H)3	C(CCCO)(CC)	C(CH3)2(CC)(OC)	C(CCCO)(H)3	C(CCCO)(CC)	110.0345	0.718	4	110.0345	0.516	4	109.8053	0.913	20	109.8238	0.811	23	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(CC)(OH)	C(CCCO)(H)3	C(CCCO)(CC)	C(CH3)2(CC)(OH)	C(CCCO)(H)3	C(CCCO)(CC)	109.6182	0.887	12	109.6182	0.787	12	109.8053	0.913	20	109.8238	0.811	23	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(CC)(OH)	C(CCCO)(H)3	C(CCCO)(CNi)	C(CH3)2(CC)(OH)	C(CCCO)(H)3	C(CCCO)(CNi)	109.5140	0.027	2	109.5140	0.001	2	109.8053	0.913	20	109.8238	0.811	23	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:O-2:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(H)3	C(CCCO)(CH)	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(H)3	C(CCCO)(CH)	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	109.8238	0.811	23	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:2:	C-4:P-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)(PO3)(CC)(OH)	C(CCOP)(H)3	C(CCOP)(CSi)	C(CH3)(PO3)(CC)(OH)	C(CCOP)(H)3	C(CCOP)(CSi)	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	109.8238	0.811	23	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:1:1:1:	4:2:	C[5]-4:C-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[5]C[5]O[5]H)(CH3)(CC)(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(CH)	C(C[5]C[5]O[5]H)(CH3)(CC)(OH)	C(CC[5]CO)(H)3	C(CC[5]CO)(CH)	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.8238	0.811	23	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:3:1:1:	4:1:	C-4:C-4:C-2:C-2:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(CCHH)2(CN)2	C(CC3)(CCC)(H)2	C(CC3)(N)	C(CCHH)2(CN)2	C(CC3)(CCC)(H)2	C(CC3)(N)	107.5583	1.699	4	107.5583	2.886	4	107.4823	1.606	12	107.4823	1.606	12	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:3:1:1:	4:1:	C-4:C-4:C-2:C-2:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(CC[6a]CH)(CCHH)(CN)2	C(CC3)(CCH)(H)2	C(CC3)(N)	C(CC[6a]CH)(CCHH)(CN)2	C(CC3)(CCH)(H)2	C(CC3)(N)	106.4790	1.922	2	106.4790	3.694	2	107.4823	1.606	12	107.4823	1.606	12	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:3:1:1:	4:1:	C-4:C-4:C-2:C-2:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(CC[6a]C[6]H)(CCHH)(CN)2	C(CC3)(CCH)(H)2	C(CC3)(N)	C(CC[6a]C[6]H)(CCHH)(CN)2	C(CC3)(CCH)(H)2	C(CC3)(N)	107.7660	0.748	6	107.7660	0.559	6	107.4823	1.606	12	107.4823	1.606	12	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:4:1:1:	2:4:	C-4:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C-2:C-4:	C(CCHH)(CCHN)(CC)(OH)	C(CCCO)(CH3)(H)2	C(CC[6a])(CCCO)	C(CCHH)(CCHN)(CC)(OH)	C(CCCO)(CH3)(H)2	C(CC[6a])(CCCO)	109.2355	0.063	2	109.2355	0.004	2	109.2355	0.004	2	109.2355	0.004	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:1:	C-4:C-4:C-2:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)2(CN)2	C(CC[6a]CH)(CC3)(H)2	C(CC3)(N)	C(CCHH)2(CN)2	C(CC[6a]CH)(CC3)(H)2	C(CC3)(N)	109.2425	1.826	4	109.2425	3.336	4	109.8147	1.850	10	109.8147	1.850	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:1:	C-4:C-4:C-2:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(CCHH)(CN)2	C(CCCH)(CC3)(H)2	C(CC3)(N)	C(CC[6a]HH)(CCHH)(CN)2	C(CCCH)(CC3)(H)2	C(CC3)(N)	110.1962	0.945	6	110.1962	0.892	6	109.8147	1.850	10	109.8147	1.850	10	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:2:	C-4:C-4:C-2:O-2:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CC)	C(CCHH)(CH3)(CC)(OH)	C(CCCO)(CCHH)(H)2	C(CCCO)(CC)	109.6425	0.763	2	109.6425	0.582	2	109.6425	0.582	2	109.8193	0.385	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:4:1:1:	4:2:	C-4:C-4:O-2:C-2:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CH)	C(CCHH)(CH3)(OSi)(CC)	C(CCCO)(CCHH)(H)2	C(CCCO)(CH)	110.1730	0.000	1	110.1730	0.000	1	110.1730	0.000	1	109.8193	0.385	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:4:3:1:	2:4:	C-4:C-4:C-2:O-2:	C-4:C-4:N-3:H-1:	C-2:C-4:	C(CCHH)(CCHN)(CC)(OH)	C(CCCH)(CCCO)(NHS)(H)	C(CC[6a])(CCCO)	C(CCHH)(CCHN)(CC)(OH)	C(CCCH)(CCCO)(NHS)(H)	C(CC[6a])(CCCO)	111.5540	0.386	2	111.5540	0.149	2	111.5540	0.149	2	111.5540	0.149	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:4:4:1:	4:1:	C-4:C-4:C-2:C-2:	C-4:C-4:C-4:H-1:	C-4:N-1:	C(CC[5a]HH)(CCCH)(CN)2	C(CCHH)2(CC3)(H)	C(CC3)(N)	C(CC[5a]HH)(CCCH)(CN)2	C(CCHH)2(CC3)(H)	C(CC3)(N)	109.7150	0.656	2	109.7150	0.431	2	109.7150	0.431	2	109.7150	0.431	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:4:4:1:	4:2:	C[3]-4:C-4:C-2:O-2:	C-4:C-4:C-4:H-1:	C-4:C-2:	C(C[3]C[3]2H)(CCCH)(CC)(OH)	C(CC[3]CO)(CH3)2(H)	C(CC[3]CO)(CH)	C(C[3]C[3]2H)(CCCH)(CC)(OH)	C(CC[3]CO)(CH3)2(H)	C(CC[3]CO)(CH)	110.9135	0.114	2	110.9135	0.013	2	110.9135	0.013	2	110.9135	0.013	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:4:4:4:	4:2:	C[3]-4:C-4:C-2:O-2:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(C[3]C[3]2H)(CC3)(CC)(OH)	C(CC[3]CO)(CH3)3	C(CC[3]CO)(CH)	C(C[3]C[3]2H)(CC3)(CC)(OH)	C(CC[3]CO)(CH3)3	C(CC[3]CO)(CH)	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	110.4110	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:2:2:	4:4:4:4:	4:3:	C-4:C-4:O-2:C-2:	C-4:C-4:C-4:C-4:	C-4:N-3:	C(CC3)2(OCr)(CN)	C(CCCO)(CH3)3	C(CCCO)(NCrC)	C(CC3)2(OCr)(CN)	C(CCCO)(CH3)3	C(CCCO)(NCrC)	106.0005	0.251	2	106.0005	0.063	2	106.0005	0.063	2	106.0005	0.063	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	2:4:1:1:	4:1:	C-4:C-4:N-3:C-2:	O-2:C-4:H-1:H-1:	C-4:N-1:	C(CHHO)(CH3)(NCH)(CN)	C(OC[6a])(CCCN)(H)2	C(CCCN)(N)	C(CHHO)(CH3)(NCH)(CN)	C(OC[6a])(CCCN)(H)2	C(CCCN)(N)	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:1:	C-4:C-4:C-3:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)2(COO)(CN)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(N)	C(CC[6a]HH)2(COO)(CN)	C(C[6a]C[6a]2)(CC3)(H)2	C(CC3)(N)	109.1390	0.590	2	109.1390	0.348	2	109.1390	0.348	2	109.7640	1.346	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	3:4:1:1:	4:1:	C-4:S-4:C-3:C-2:	C[6a]-3:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HH)(SC[6a]OO)(COO)(CN)	C(C[6a]C[6a]2)(CCCS)(H)2	C(CCCS)(N)	C(CC[6a]HH)(SC[6a]OO)(COO)(CN)	C(C[6a]C[6a]2)(CCCS)(H)2	C(CCCS)(N)	111.0140	0.000	1	111.0140	0.000	1	111.0140	0.000	1	109.7640	1.346	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	2:4:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)2(COO)(CC)	C(CC3)(H)3	C(CC[6a])(CC3)	C(CH3)2(COO)(CC)	C(CC3)(H)3	C(CC[6a])(CC3)	109.0940	0.581	2	109.0940	0.338	2	109.0940	0.338	2	108.6220	0.569	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	2:4:	C-4:P-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-2:C-4:	C(CF3)(PO3)(NCH)(CC)	C(CCNP)(F)3	C(CC[6a])(CCNP)	C(CF3)(PO3)(NCH)(CC)	C(CCNP)(F)3	C(CC[6a])(CCNP)	108.1500	0.692	2	108.1500	0.478	2	108.1500	0.478	2	108.6220	0.569	4	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)2(CNO)(CH)	C(CC3)(H)3	C(CC3)(H)	C(CH3)2(CNO)(CH)	C(CC3)(H)3	C(CC3)(H)	109.5420	4.052	2	109.5420	16.416	2	109.5202	9.531	6	108.3677	3.354	28	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)2(COO)(CH)	C(CC3)(H)3	C(CC3)(H)	C(CH3)2(COO)(CH)	C(CC3)(H)3	C(CC3)(H)	109.5092	3.227	4	109.5092	10.412	4	109.5202	9.531	6	108.3677	3.354	28	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CH3)2(CCS)(CN)	C(CC3)(H)3	C(CC3)(N)	C(CH3)2(CCS)(CN)	C(CC3)(H)3	C(CC3)(N)	106.3845	1.210	4	106.3845	1.465	4	107.3258	3.015	6	108.3677	3.354	28	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CH3)2(CNO)(CN)	C(CC3)(H)3	C(CC3)(N)	C(CH3)2(CNO)(CN)	C(CC3)(H)3	C(CC3)(N)	109.2085	0.221	2	109.2085	0.049	2	107.3258	3.015	6	108.3677	3.354	28	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-4:N-1:	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(F)3	C(CCCN)(N)	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(F)3	C(CCCN)(N)	107.6150	0.465	2	107.6150	0.216	2	107.6150	0.216	2	108.3677	3.354	28	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CCCH)(CH3)(NCH)(CN)	C(CCCN)(H)3	C(CCCN)(N)	C(CCCH)(CH3)(NCH)(CN)	C(CCCN)(H)3	C(CCCN)(N)	109.0590	0.000	1	109.0590	0.000	1	108.4279	0.920	14	108.3677	3.354	28	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(H)3	C(CCCN)(N)	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(H)3	C(CCCN)(N)	107.9735	1.496	2	107.9735	2.237	2	108.4279	0.920	14	108.3677	3.354	28	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(H)3	C(CCCN)(N)	C(CF3)(CH3)(NHS)(CN)	C(CCCN)(H)3	C(CCCN)(N)	109.9575	0.743	2	109.9575	0.552	2	108.4279	0.920	14	108.3677	3.354	28	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CH3)2(NCH)(CN)	C(CCCN)(H)3	C(CCCN)(N)	C(CH3)2(NCH)(CN)	C(CCCN)(H)3	C(CCCN)(N)	108.3270	0.588	6	108.3270	0.346	6	108.4279	0.920	14	108.3677	3.354	28	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CHHO)(CH3)(NCH)(CN)	C(CCCN)(H)3	C(CCCN)(N)	C(CHHO)(CH3)(NCH)(CN)	C(CCCN)(H)3	C(CCCN)(N)	107.7023	0.392	3	107.7023	0.154	3	108.4279	0.920	14	108.3677	3.354	28	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:2:	C-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(CHO)(CC)	C(CC3)(H)3	C(CC3)(CC)	C(CH3)2(CHO)(CC)	C(CC3)(H)3	C(CC3)(CC)	110.2530	1.260	2	110.2530	1.588	2	110.2530	1.588	2	109.1648	4.061	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:2:	C-4:C-4:N-3:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(NCH)(CC)	C(CCCN)(H)3	C(CCCN)(CH)	C(CH3)2(NCH)(CC)	C(CCCN)(H)3	C(CCCN)(CH)	109.5750	1.724	2	109.5750	2.972	2	109.5750	2.972	2	109.1648	4.061	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:1:1:1:	4:2:	C[5]-4:C-4:C-3:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[5]C[5]2H)(CH3)(CNO)(CC)	C(CC[5]CC)(H)3	C(CC[5]CC)(CH)	C(C[5]C[5]2H)(CH3)(CNO)(CC)	C(CC[5]CC)(H)3	C(CC[5]CC)(CH)	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	109.1648	4.061	5	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:2:1:1:	4:1:	C-4:C-4:N-3:C-2:	C-4:O-2:H-1:H-1:	C-4:N-1:	C(CHHO)(CH3)(NCH)(CN)	C(CCCN)(OH)(H)2	C(CCCN)(N)	C(CHHO)(CH3)(NCH)(CN)	C(CCCN)(OH)(H)2	C(CCCN)(N)	109.2040	0.115	2	109.2040	0.013	2	109.2040	0.013	2	109.2040	0.013	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:C-3:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)2(CCH)(CN)	C(CCHH)(CC3)(H)2	C(CC3)(N)	C(CCHH)2(CCH)(CN)	C(CCHH)(CC3)(H)2	C(CC3)(N)	109.0305	0.046	2	109.0305	0.002	2	109.0305	0.002	2	109.0232	0.851	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CH3)(NCH)(CN)	C(CCCH)(CCCN)(H)2	C(CCCN)(N)	C(CCHH)(CH3)(NCH)(CN)	C(CCCH)(CCCN)(H)2	C(CCCN)(N)	110.3120	0.000	1	110.3120	0.000	1	109.0055	3.414	2	109.0232	0.851	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(CCHH)(H)2	C(CCCN)(N)	C(CCHH)(CH3)(NCH)(CN)	C(CCCN)(CCHH)(H)2	C(CCCN)(N)	107.6990	0.000	1	107.6990	0.000	1	109.0055	3.414	2	109.0232	0.851	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:1:	C-4:C-4:N-3:C-2:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)2(NHH)(CN)	C(C[6]C[6,6a]2H)(CCCN)(H)2	C(CCCN)(N)	C(CC[6]HH)2(NHH)(CN)	C(C[6]C[6,6a]2H)(CCCN)(H)2	C(CCCN)(N)	109.0335	0.916	2	109.0335	0.839	2	109.0335	0.839	2	109.0232	0.851	6	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:4:1:1:	4:2:	C-4:C-4:N-3:C-2:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCCH)(CCHH)(NCH)(CC)	C(CCCN)(CCHH)(H)2	C(CCCN)(CSi)	C(CCCH)(CCHH)(NCH)(CC)	C(CCCN)(CCHH)(H)2	C(CCCN)(CSi)	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:4:4:1:	4:1:	C-4:C-4:N-3:C-2:	C-4:C-4:C-4:H-1:	C-4:N-1:	C(CCCH)(CH3)(NCH)(CN)	C(CCCN)(CH3)2(H)	C(CCCN)(N)	C(CCCH)(CH3)(NCH)(CN)	C(CCCN)(CH3)2(H)	C(CCCN)(N)	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:3:2:	4:4:4:1:	4:2:	C-4:C-4:N-3:C-2:	C-4:C-4:C-4:H-1:	C-4:C-2:	C(CCCH)(CCHH)(NCH)(CC)	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(CCCN)(CSi)	C(CCCH)(CCHH)(NCH)(CC)	C(CC[6a]HH)(CCCN)(CHHO)(H)	C(CCCN)(CSi)	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	3:3:3:4:	4:1:	C-4:C-4:C-4:C-2:	C[5a]-3:C[6a]-3:C[6a]-3:C-4:	C-4:N-1:	C(CC[5a]C[6a]2)(CH3)2(CN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC3)	C(CC3)(N)	C(CC[5a]C[6a]2)(CH3)2(CN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CC3)	C(CC3)(N)	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	3:3:4:1:	4:1:	C-4:C-4:C-4:C-2:	C[6a]-3:C[6a]-3:C-4:H-1:	C-4:N-1:	C(CC[6a]2H)(CH3)2(CN)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(N)	C(CC[6a]2H)(CH3)2(CN)	C(C[6a]C[6a]2)2(CC3)(H)	C(CC3)(N)	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	112.4480	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	3:4:2:1:	4:1:	C-4:C-4:C-4:C-2:	C[6a]-3:C-4:O-2:H-1:	C-4:N-1:	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(N)	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(N)	108.7770	0.000	1	108.7770	0.000	1	108.7770	0.000	1	108.7770	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	3:4:2:1:	4:2:	C-4:C-4:C-4:C-2:	C[6a]-3:C-4:O-2:H-1:	C-4:C-2:	C(CC[6a]HO)(CH3)2(CC)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(CSi)	C(CC[6a]HO)(CH3)2(CC)	C(C[6a]C[6a]2)(CC3)(OH)(H)	C(CC3)(CSi)	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	107.7850	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	3:4:3:1:	4:1:	C-4:S-4:C-4:C-2:	C[6a]-3:C-4:N-3:H-1:	C-4:N-1:	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C(CCCS)(N)	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	C(C[6a]C[6a]2)(CCCS)(NCH)(H)	C(CCCS)(N)	111.4657	1.059	3	111.4657	1.122	3	111.4657	1.122	3	111.4657	1.122	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:	C-4:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:H-1:	C-4:N-1:	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC3)(N)	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(C[6a]C[6a]2)(CC3)(CH3)(H)	C(CC3)(N)	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	107.8920	0.190	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	3:4:4:1:	4:1:	C[6]-4:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:H-1:	C-4:N-1:	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C(CC[6]CC)(N)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	C(C[6a]C[6a]2)(CC[6]CC)(CH3)(H)	C(CC[6]CC)(N)	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	107.8920	0.190	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	3:4:4:2:	4:2:	C-4:C-4:C-4:C-2:	C[6a]-3:C-4:C-4:O-2:	C-4:C-2:	C(CC[6a]CO)(CH3)2(CC)	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C(CC3)(CC)	C(CC[6a]CO)(CH3)2(CC)	C(C[6a]C[6a]2)(CC3)(CH3)(OC)	C(CC3)(CC)	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	109.4020	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	3:4:4:4:	4:1:	C-4:C-4:C-4:C-2:	C[5a]-3:C-4:C-4:C-4:	C-4:N-1:	C(CC[5a]CC)(CH3)2(CN)	C(C[5a]N[5a]2)(CC3)(CH3)2	C(CC3)(N)	C(CC[5a]CC)(CH3)2(CN)	C(C[5a]N[5a]2)(CC3)(CH3)2	C(CC3)(N)	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(CC)	C(CC3)(H)3	C(CC[4])(CC3)	C(CH3)3(CC)	C(CC3)(H)3	C(CC[4])(CC3)	109.0767	0.392	3	109.0767	0.154	3	109.1164	0.412	30	108.8678	0.718	36	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(CC)	C(CC3)(H)3	C(CC[5a])(CC3)	C(CH3)3(CC)	C(CC3)(H)3	C(CC[5a])(CC3)	108.7460	0.083	3	108.7460	0.007	3	109.1164	0.412	30	108.8678	0.718	36	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(CC)	C(CC3)(H)3	C(CC[6a])(CC3)	C(CH3)3(CC)	C(CC3)(H)3	C(CC[6a])(CC3)	109.2575	0.690	15	109.2575	0.476	15	109.1164	0.412	30	108.8678	0.718	36	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(CC)	C(CC3)(H)3	C(CGe[6])(CC3)	C(CH3)3(CC)	C(CC3)(H)3	C(CGe[6])(CC3)	108.9403	1.193	3	108.9403	1.424	3	109.1164	0.412	30	108.8678	0.718	36	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(CC)	C(CC3)(H)3	C(CNb[6])(CC3)	C(CH3)3(CC)	C(CC3)(H)3	C(CNb[6])(CC3)	109.3497	0.260	3	109.3497	0.068	3	109.1164	0.412	30	108.8678	0.718	36	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(CC)	C(CC3)(H)3	C(CSi[4])(CC3)	C(CH3)3(CC)	C(CC3)(H)3	C(CSi[4])(CC3)	108.7640	0.570	3	108.7640	0.325	3	109.1164	0.412	30	108.8678	0.718	36	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	N-2:C-4:	C(CH3)3(CN)	C(CC3)(H)3	C(NB[3x3,3x5,12x6])(CC3)	C(CH3)3(CN)	C(CC3)(H)3	C(NB[3x3,3x5,12x6])(CC3)	107.6120	0.590	3	107.6120	0.349	3	107.6248	0.411	6	108.8678	0.718	36	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	N-2:C-4:	C(CH3)3(CN)	C(CC3)(H)3	C(NC[6a])(CC3)	C(CH3)3(CN)	C(CC3)(H)3	C(NC[6a])(CC3)	107.6377	0.824	3	107.6377	0.679	3	107.6248	0.411	6	108.8678	0.718	36	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(CC)	C(CC3)(H)3	C(COsC)(CC3)	C(CH3)3(CC)	C(CC3)(H)3	C(COsC)(CC3)	109.5870	1.915	3	109.5870	3.668	3	109.5870	3.668	3	109.5870	3.668	3	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CCHH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	C(CCHH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	108.1330	0.699	4	108.1330	0.488	4	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CCHH)2(CH3)(CN)	C(CC3)(H)3	C(CC3)(N)	C(CCHH)2(CH3)(CN)	C(CC3)(H)3	C(CC3)(N)	107.4475	2.896	2	107.4475	8.385	2	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(CC3)(H)3	C(CC3)(N)	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(CC3)(H)3	C(CC3)(N)	107.7843	0.733	3	107.7843	0.537	3	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CCHH)(CH3)(CN)	C(CC3)(H)3	C(CC3)(N)	C(CC[5]HH)(CCHH)(CH3)(CN)	C(CC3)(H)3	C(CC3)(N)	108.3200	0.000	1	108.3200	0.000	1	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	C(CC[5]HH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	107.9330	1.069	2	107.9330	1.143	2	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[5a]CC)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	C(CC[5a]CC)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	107.0430	0.008	2	107.0430	0.000	2	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[5a]C[6a]2)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	C(CC[5a]C[6a]2)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	106.5145	0.777	2	106.5145	0.604	2	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	C(CC[6]HH)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	107.2085	0.163	2	107.2085	0.027	2	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[6a]2H)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	C(CC[6a]2H)(CH3)2(CN)	C(CC3)(H)3	C(CC3)(N)	107.8580	0.250	2	107.8580	0.063	2	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(CC3)(H)3	C(CC3)(N)	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(CC3)(H)3	C(CC3)(N)	108.9390	0.000	1	108.9390	0.000	1	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(CC3)(H)3	C(CC3)(N)	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(CC3)(H)3	C(CC3)(N)	107.0540	0.000	1	107.0540	0.000	1	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(N)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(N)	108.3612	13.872	6	108.3612	192.437	6	107.7991	36.476	28	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C-4:S-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	C(CCCS)(H)3	C(CCCS)(N)	C(CC[6a]HN)(SC[6a]OO)(CH3)(CN)	C(CCCS)(H)3	C(CCCS)(N)	108.9810	0.619	3	108.9810	0.383	3	108.9810	0.383	3	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[5]C[5,6a]C[5]H)(CH3)2(CN)	C(CC[5]CC)(H)3	C(CC[5]CC)(N)	C(C[5]C[5,6a]C[5]H)(CH3)2(CN)	C(CC[5]CC)(H)3	C(CC[5]CC)(N)	106.9882	0.315	4	106.9882	0.099	4	107.5099	0.492	8	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[5]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[5]C[5]2H)(CH3)2(CN)	C(CC[5]CC)(H)3	C(CC[5]CC)(N)	C(C[5]C[5]2H)(CH3)2(CN)	C(CC[5]CC)(H)3	C(CC[5]CC)(N)	108.0315	0.568	4	108.0315	0.323	4	107.5099	0.492	8	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[6]C[6]2H)(CH3)2(CN)	C(CC[6]CC)(H)3	C(CC[6]CC)(N)	C(C[6]C[6]2H)(CH3)2(CN)	C(CC[6]CC)(H)3	C(CC[6]CC)(N)	108.0230	1.520	4	108.0230	2.309	4	107.4341	2.132	7	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	C(CC[6]CC)(H)3	C(CC[6]CC)(N)	C(C[6]C[6]2O)(CC[6a]CH)(CH3)(CN)	C(CC[6]CC)(H)3	C(CC[6]CC)(N)	106.2320	0.000	1	106.2320	0.000	1	107.4341	2.132	7	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:1:	C[6]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-1:	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	C(CC[6]CC)(H)3	C(CC[6]CC)(N)	C(C[6]C[6a]C[6]N[6])(CH3)2(CN)	C(CC[6]CC)(H)3	C(CC[6]CC)(N)	106.8575	1.538	2	106.8575	2.365	2	107.4341	2.132	7	107.7703	22.391	46	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CCHO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(CSi)	C(CCHO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(CSi)	110.0925	0.791	4	110.0925	0.626	4	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CC[6a]CO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(CC)	C(CC[6a]CO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(CC)	108.3660	1.158	2	108.3660	1.342	2	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CC[6a]HO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(CSi)	C(CC[6a]HO)(CH3)2(CC)	C(CC3)(H)3	C(CC3)(CSi)	109.1865	1.921	2	109.1865	3.691	2	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CAu)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CAu)	109.6023	1.770	6	109.6023	3.132	6	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CB)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CB)	109.7347	1.273	3	109.7347	1.621	3	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CBr)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CBr)	108.6280	1.682	3	108.6280	2.830	3	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CC)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CC)	109.1727	0.970	43	109.1727	0.942	43	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CFe)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CFe)	109.7998	0.920	20	109.7998	0.846	20	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CGa)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CGa)	109.4442	0.295	5	109.4442	0.087	5	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CGe)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CGe)	109.0997	0.754	14	109.0997	0.568	14	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CI)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CI)	109.3103	0.734	6	109.3103	0.538	6	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CMo)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CMo)	109.3923	0.209	3	109.3923	0.044	3	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CP)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CP)	108.8631	1.042	34	108.8631	1.086	34	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CPt)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CPt)	109.1091	0.823	9	109.1091	0.677	9	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CRh)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CRh)	109.3320	0.282	3	109.3320	0.080	3	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CRu)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CRu)	110.1926	0.889	21	110.1926	0.791	21	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CS)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CS)	110.1027	1.692	3	110.1027	2.863	3	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CSi)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CSi)	109.1187	0.360	3	109.1187	0.130	3	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CSn)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CSn)	109.5767	0.543	6	109.5767	0.295	6	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CW)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CW)	109.5453	0.870	3	109.5453	0.757	3	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CZr)	C(CH3)3(CC)	C(CC3)(H)3	C(CC3)(CZr)	109.7712	0.872	6	109.7712	0.760	6	109.3719	1.047	199	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NB)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NB)	107.7620	0.853	6	107.7620	0.728	6	108.1063	0.813	67	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NCu)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NCu)	108.3642	0.685	12	108.3642	0.470	12	108.1063	0.813	67	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NFe)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NFe)	108.1290	0.637	6	108.1290	0.406	6	108.1063	0.813	67	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NLa)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NLa)	108.3242	0.448	12	108.3242	0.201	12	108.1063	0.813	67	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NMn)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NMn)	108.2557	0.560	3	108.2557	0.314	3	108.1063	0.813	67	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NRe)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NRe)	107.9630	1.130	3	107.9630	1.277	3	108.1063	0.813	67	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NRu)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NRu)	108.0709	1.244	14	108.0709	1.548	14	108.1063	0.813	67	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NSm)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NSm)	108.0523	0.172	3	108.0523	0.030	3	108.1063	0.813	67	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NU)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NU)	107.0680	2.462	2	107.0680	6.062	2	108.1063	0.813	67	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NZr)	C(CH3)3(CN)	C(CC3)(H)3	C(CC3)(NZr)	107.9293	1.148	6	107.9293	1.317	6	108.1063	0.813	67	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	C[5]-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[5]C[5]O[5]C)(CH3)2(CC)	C(CC[5]CC)(H)3	C(CC[5]CC)(CC)	C(C[5]C[5]O[5]C)(CH3)2(CC)	C(CC[5]CC)(H)3	C(CC[5]CC)(CC)	109.4240	1.998	2	109.4240	3.993	2	109.4240	3.993	2	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:1:1:1:	4:2:	P-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(PC[6a]3)(CH3)2(CC)	C(CCCP)(H)3	C(CCCP)(CRu)	C(PC[6a]3)(CH3)2(CC)	C(CCCP)(H)3	C(CCCP)(CRu)	110.7875	0.899	2	110.7875	0.808	2	110.7875	0.808	2	109.0687	1.309	270	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:2:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:O-2:H-1:H-1:	C-4:N-1:	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(CC3)(OC)(H)2	C(CC3)(N)	C(CC[6a]CH)(CHHO)(CH3)(CN)	C(CC3)(OC)(H)2	C(CC3)(N)	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(CCHH)(CH3)2(CN)	C(CC3)(CCO)(H)2	C(CC3)(N)	C(CCHH)(CH3)2(CN)	C(CC3)(CCO)(H)2	C(CC3)(N)	110.1370	0.000	1	110.1370	0.000	1	109.6655	0.445	2	109.6655	0.445	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:3:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:C-3:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CCHH)(CH3)(CN)	C(CC3)(CCH)(H)2	C(CC3)(N)	C(CC[5]HH)(CCHH)(CH3)(CN)	C(CC3)(CCH)(H)2	C(CC3)(N)	109.1940	0.000	1	109.1940	0.000	1	109.6655	0.445	2	109.6655	0.445	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:3:2:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:C-3:O-2:H-1:	C-4:C-2:	C(CCHO)(CH3)2(CC)	C(CC3)(CCH)(OH)(H)	C(CC3)(CSi)	C(CCHO)(CH3)2(CC)	C(CC3)(CCH)(OH)(H)	C(CC3)(CSi)	107.4875	0.422	2	107.4875	0.178	2	107.4875	0.178	2	107.4875	0.178	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)(CH3)2(CN)	C(CC[6a]CH)(CC3)(H)2	C(CC3)(N)	C(CCHH)(CH3)2(CN)	C(CC[6a]CH)(CC3)(H)2	C(CC3)(N)	111.9340	0.000	1	111.9340	0.000	1	110.1080	5.766	6	109.7149	2.913	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)2(CH3)(CN)	C(CCCH)(CC3)(H)2	C(CC3)(N)	C(CCHH)2(CH3)(CN)	C(CCCH)(CC3)(H)2	C(CC3)(N)	108.6850	0.788	2	108.6850	0.620	2	110.1080	5.766	6	109.7149	2.913	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CCHH)2(CH3)(CN)	C(CC[6a]CH)(CC3)(H)2	C(CC3)(N)	C(CCHH)2(CH3)(CN)	C(CC[6a]CH)(CC3)(H)2	C(CC3)(N)	111.7255	3.269	2	111.7255	10.686	2	110.1080	5.766	6	109.7149	2.913	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(CCHO)(CC3)(H)2	C(CC3)(N)	C(CC[6a]HO)(CCHH)(CH3)(CN)	C(CCHO)(CC3)(H)2	C(CC3)(N)	107.8930	0.000	1	107.8930	0.000	1	110.1080	5.766	6	109.7149	2.913	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:C-2:	C[3]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(C[3]C[3]2H)(CC3)(H)2	C(CC3)(N)	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(C[3]C[3]2H)(CC3)(H)2	C(CC3)(N)	109.0990	0.533	3	109.0990	0.284	3	109.0990	0.284	3	109.7149	2.913	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(N)	C(CC[3]HH)(CC[5]HH)(CH3)(CN)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(N)	108.7883	0.476	3	108.7883	0.226	3	109.2940	1.472	5	109.7149	2.913	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CCHH)(CH3)(CN)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(N)	C(CC[5]HH)(CCHH)(CH3)(CN)	C(C[5]C[5]2H)(CC3)(H)2	C(CC3)(N)	108.7260	0.000	1	108.7260	0.000	1	109.2940	1.472	5	109.7149	2.913	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[5]HH)(CH3)2(CN)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC3)(N)	C(CC[5]HH)(CH3)2(CN)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C(CC3)(N)	111.3790	0.000	1	111.3790	0.000	1	109.2940	1.472	5	109.7149	2.913	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:1:	C-4:C-4:C-4:C-2:	C[6]-4:C-4:H-1:H-1:	C-4:N-1:	C(CC[6]HH)(CH3)2(CN)	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C(CC3)(N)	C(CC[6]HH)(CH3)2(CN)	C(C[6]C[6,6a]C[6a]C[6])(CC3)(H)2	C(CC3)(N)	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	109.7149	2.913	15	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:1:1:	4:2:	C-4:C-4:C-4:C-2:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)2(CC3)(CC)	C(CCHH)(CC3)(H)2	C(CC3)(CSi)	C(CCHH)2(CC3)(CC)	C(CCHH)(CC3)(H)2	C(CC3)(CSi)	106.4355	2.676	2	106.4355	7.163	2	106.4355	7.163	2	106.4355	7.163	2	110.5339	9.308	1697	110.5339	9.308	1697
490	490	983	0:SP3_SP1_SP3	C	C	C	4:4:4:2:	4:4:4:2:	4:2:	C-4:C-4:C-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(CCHH)2(CC3)(CC)	C(CCHH)2(CC3)(CC)	C(CC3)(CSi)	C(CCHH)2(CC3)(CC)	C(CCHH)2(CC3)(CC)	C(CC3)(CSi)	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	110.5339	9.308	1697	110.5339	9.308	1697
490	490	984	0:SP3_SP-NON_SP3	C	C	Ga	4:4:1:1:	4:1:1:1:	3:4:4:2:	Ga-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:C-2:	C(GaN[6]CC)(CH3)(H)2	C(CGaHH)(H)3	Ga(N[6]C[6]2)(CCHH)2(CC)	C(GaN[6]CC)(CH3)(H)2	C(CGaHH)(H)3	Ga(N[6]C[6]2)(CCHH)2(CC)	115.9090	2.120	2	115.9090	4.494	2	115.9090	4.494	2	115.9090	4.494	2	111.5714	6.073	64	111.5714	6.073	64
490	490	984	0:SP3_SP-NON_SP3	C	C	Ga	4:4:1:1:	4:1:1:1:	4:4:2:2:	Ga-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C(GaCOO)(CH3)(H)2	C(CGaHH)(H)3	Ga(CCHH)2(OP)2	C(GaCOO)(CH3)(H)2	C(CGaHH)(H)3	Ga(CCHH)2(OP)2	114.3815	1.679	4	114.3815	2.821	4	114.3815	2.821	4	114.3815	2.821	4	111.5714	6.073	64	111.5714	6.073	64
490	490	984	0:SP3_SP-NON_SP3	C	C	Ga	4:4:1:1:	4:1:1:1:	4:4:3:3:	Ga-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-3:S-3:	C(GaCSS)(CH3)(H)2	C(CGaHH)(H)3	Ga(CCHH)2(SCuC)2	C(GaCSS)(CH3)(H)2	C(CGaHH)(H)3	Ga(CCHH)2(SCuC)2	115.3088	2.365	4	115.3088	5.594	4	115.3088	5.594	4	115.3088	5.594	4	111.5714	6.073	64	111.5714	6.073	64
490	490	984	0:SP3_SP-NON_SP3	C	C	Ga	4:4:1:1:	4:3:1:1:	4:4:1:1:	Ga-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	P-4:C-4:Cl-1:Cl-1:	C(GaCl2P)(CCHH)(H)2	C(CGaHH)(CCC)(H)2	Ga(PC[6a]2C)(CCHH)(Cl)2	C(GaCl2P)(CCHH)(H)2	C(CGaHH)(CCC)(H)2	Ga(PC[6a]2C)(CCHH)(Cl)2	111.3850	0.000	1	111.3850	0.000	1	111.3850	0.000	1	111.3850	0.000	1	111.5714	6.073	64	111.5714	6.073	64
490	490	984	0:SP3_SP-NON_SP3	C	C	Ga	4:4:4:1:	4:1:1:1:	4:4:3:3:	Ga-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-3:S-3:	C(GaCSS)(CH3)2(H)	C(CGaCH)(H)3	Ga(CCCH)2(SCuC)2	C(GaCSS)(CH3)2(H)	C(CGaCH)(H)3	Ga(CCCH)2(SCuC)2	111.4806	0.595	8	111.4806	0.354	8	111.4806	0.354	8	111.4806	0.354	8	111.5714	6.073	64	111.5714	6.073	64
490	490	984	0:SP3_SP-NON_SP3	C	C	Ga	4:4:4:4:	4:1:1:1:	2:4:4:2:	Ga-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:O-2:	C(GaCOO)(CH3)3	C(CGaCC)(H)3	Ga(ON[6])(CC3)2(ON)	C(GaCOO)(CH3)3	C(CGaCC)(H)3	Ga(ON[6])(CC3)2(ON)	110.5377	3.189	6	110.5377	10.168	6	110.5377	10.168	6	110.5377	10.168	6	111.5714	6.073	64	111.5714	6.073	64
490	490	984	0:SP3_SP-NON_SP3	C	C	Ga	4:4:4:4:	4:1:1:1:	3:3:4:4:	Ga-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:P-3:C-4:C-4:	C(GaC[5]CP)(CH3)3	C(CGaCC)(H)3	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	C(GaC[5]CP)(CH3)3	C(CGaCC)(H)3	Ga(C[5]C[5]N[5])(PSiH)(CC3)2	111.1572	0.794	6	111.1572	0.631	6	111.1572	0.631	6	111.1572	0.631	6	111.5714	6.073	64	111.5714	6.073	64
490	490	984	0:SP3_SP-NON_SP3	C	C	Ga	4:4:4:4:	4:1:1:1:	4:4:4:1:	Ga-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Cl-1:	C(GaClCC)(CH3)3	C(CGaCC)(H)3	Ga(CHHN)(CC3)2(Cl)	C(GaClCC)(CH3)3	C(CGaCC)(H)3	Ga(CHHN)(CC3)2(Cl)	110.4467	3.815	6	110.4467	14.555	6	110.4467	14.555	6	110.4467	14.555	6	111.5714	6.073	64	111.5714	6.073	64
490	490	984	0:SP3_SP-NON_SP3	C	C	Ga	4:4:4:4:	4:1:1:1:	4:4:4:2:	Ga-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-2:	C(GaC3)(CH3)3	C(CGaCC)(H)3	Ga(CC3)3(CN)	C(GaC3)(CH3)3	C(CGaCC)(H)3	Ga(CC3)3(CN)	110.8856	1.649	27	110.8856	2.719	27	110.8856	2.719	27	110.8856	2.719	27	111.5714	6.073	64	111.5714	6.073	64
490	490	990	0:SP3_SP2_SP3	C	C	As	3:4:2:1:	4:4:1:1:	4:3:	C[6]-3:C-4:As-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:	C(C[6]N[6]2)(CCHH)(AsN)(H)	C(CC[6]AsH)(CCHH)(H)2	As(CC[6]CH)(NC[6a]H)	C(C[6]N[6]2)(CCHH)(AsN)(H)	C(CC[6]AsH)(CCHH)(H)2	As(CC[6]CH)(NC[6a]H)	120.8240	0.000	1	120.8240	0.000	1	120.8240	0.000	1	120.8240	0.000	1	120.8240	0.000	1	120.8240	0.000	1
490	490	991	0:SP3_SP-NON_SP3	C	C	Br	2:4:4:1:	4:1:1:1:	6:4:	Br-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:	C(BrB[5x3,5x5,20x6])(CH3)2(H)	C(CBrCH)(H)3	Br(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCCH)	C(BrB[5x3,5x5,20x6])(CH3)2(H)	C(CBrCH)(H)3	Br(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCCH)	105.1370	2.121	2	105.1370	4.500	2	105.1370	4.500	2	105.1370	4.500	2	105.1370	4.500	2	105.1370	4.500	2
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	3:4:1:1:	3:4:4:1:	C[6a]-3:C-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:S-1:	C(C[6a]C[6a]2)(CC[6a]HH)(PC[6a]CS)(H)	C(C[6a]C[6a]2)(CC[6a]HP)(H)2	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)	C(C[6a]C[6a]2)(CC[6a]HP)(H)2	P(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]HH)(S)	111.3200	0.000	1	111.3200	0.000	1	111.3200	0.000	1	111.3200	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	4:2:2:1:	C[6a]-3:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CH3)(PO3)(H)	C(CC[6a]HP)(H)3	P(CC[6a]CH)(OH)2(O)	C(C[6a]C[6a]2)(CH3)(PO3)(H)	C(CC[6a]HP)(H)3	P(CC[6a]CH)(OH)2(O)	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:3:3:4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	P(C[6a]C[6a]2)3(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]3)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	P(C[6a]C[6a]2)3(CC[6a]CH)	111.6365	2.071	4	111.6365	4.288	4	111.6365	4.288	4	111.6365	4.288	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:3:4:1:	C[6]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C(CC[6]HP)(CC[6a]O)(H)2	P(C[6a]C[6a]2)2(CC[6]CH)(S)	C(C[6]C[6]2)(PC[6a]2S)(CCHH)(H)	C(CC[6]HP)(CC[6a]O)(H)2	P(C[6a]C[6a]2)2(CC[6]CH)(S)	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	110.0969	1.213	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	109.3890	0.000	1	109.3890	0.000	1	110.2110	1.138	5	110.0969	1.213	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	110.0470	1.778	2	110.0470	3.160	2	110.2110	1.138	5	110.0969	1.213	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(COO)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(COO)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	110.7860	0.000	2	110.7860	0.000	2	110.2110	1.138	5	110.0969	1.213	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(S)	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(S)	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	110.0969	1.213	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	C(CC[6a]HP)(NOO)(H)2	P(C[6a]C[6a,6a]C[6a])2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CHHN)(H)	C(CC[6a]HP)(NOO)(H)2	P(C[6a]C[6a,6a]C[6a])2(CC[6a]CH)(O)	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	110.0969	1.213	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:3:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	C(CC[6a]HP)(NOO)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	C(C[6a]C[6a]2)(PC[6a]2B)(CHHN)(H)	C(CC[6a]HP)(NOO)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:4:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:B-4:C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	P(C[6a]C[6a]2)(CC[6a]CH)(BH3)(CH3)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CCO)(H)2	P(C[6a]C[6a]2)(CC[6a]CH)(BH3)(CH3)	110.7700	0.793	2	110.7700	0.629	2	110.1897	1.325	3	109.7565	1.634	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:4:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:B-4:C-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CN[5a]O)(H)2	P(C[6a]C[6a]2)(CC[6a]CH)(BH3)(CH3)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CN[5a]O)(H)2	P(C[6a]C[6a]2)(CC[6a]CH)(BH3)(CH3)	109.0290	0.000	1	109.0290	0.000	1	110.1897	1.325	3	109.7565	1.634	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	3:4:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	P(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(BH3)	C(C[6a]C[6a]2)(PC[6a]BC)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	P(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(BH3)	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	109.7565	1.634	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	4:2:1:1:	C[6]-3:C-4:P-4:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:O-1:O-1:	C(C[6]C[6]2)(CCHH)(PO3)(H)	C(CC[6]HP)(COO)(H)2	P(CC[6]CH)(OH)(O)2	C(C[6]C[6]2)(CCHH)(PO3)(H)	C(CC[6]HP)(COO)(H)2	P(CC[6]CH)(OH)(O)2	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.2353	0.076	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	4:2:1:1:	C[6a]-3:C-4:P-4:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:O-1:O-1:	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	C(CC[6a]HP)(COO)(H)2	P(CC[6a]CH)(OH)(O)2	C(C[6a]C[6a]2)(CCHH)(PO3)(H)	C(CC[6a]HP)(COO)(H)2	P(CC[6a]CH)(OH)(O)2	110.1380	0.310	2	110.1380	0.096	2	110.1380	0.096	2	110.2353	0.076	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:3:1:1:	4:4:4:1:	C[6a]-3:C-4:P-4:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	C(CC[6a]HP)(CN[5a]O)(H)2	P(CC[6a]CH)(CCHH)2(O)	C(C[6a]C[6a]2)(CCHH)(PCCO)(H)	C(CC[6a]HP)(CN[5a]O)(H)2	P(CC[6a]CH)(CCHH)2(O)	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:3:4:1:	C[5]-3:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	P(C[6a]C[6a]2)2(CC[5]CH)(S)	C(C[5]C[5]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	P(C[6a]C[6a]2)2(CC[5]CH)(S)	109.3655	0.631	2	109.3655	0.399	2	109.3655	0.399	2	109.6420	2.320	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	111.4220	0.000	1	111.4220	0.000	1	111.0215	0.321	2	109.6420	2.320	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CHHO)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCHH)(H)	C(CC[6a]HP)(CHHO)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(O)	110.6210	0.000	1	110.6210	0.000	1	111.0215	0.321	2	109.6420	2.320	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:3:4:1:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(S)	C(C[6a]C[6a]2)(PC[6a]2S)(CCHH)(H)	C(CC[6a]HP)(CC[5]HP)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)(S)	108.5390	2.118	2	108.5390	4.488	2	108.5390	4.488	2	109.6420	2.320	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	4:2:2:1:	C[5a]-3:C-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	C(CC[5a]HP)(CHHO)(H)2	P(CC[5a]CH)(OC)2(O)	C(C[5a]C[5a,6a]C[5a])(CCHH)(PO3)(H)	C(CC[5a]HP)(CHHO)(H)2	P(CC[5a]CH)(OC)2(O)	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:2:1:	3:3:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	C(C[6a]C[6a]2)(PC[6a]2B)(CCHO)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)(BH3)	113.7170	0.000	1	113.7170	0.000	1	113.7170	0.000	1	113.7170	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:2:1:	4:4:4:4:	C[6a]-3:P-4:C-4:H-1:	C-4:C-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:B-4:	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	P(C[6]C[6]2H)2(CC[6a]CH)(BH3)	C(C[6a]C[6a]2)(PC[6]2B)(CCHO)(H)	C(CC[6a]HP)(CHHO)(OH)(H)	P(C[6]C[6]2H)2(CC[6a]CH)(BH3)	110.0470	0.088	2	110.0470	0.008	2	110.0470	0.008	2	110.0470	0.008	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:2:2:	4:2:2:1:	C[6a]-3:C-4:P-4:H-1:	C-4:C-4:C-2:C-2:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C(CC[6a]HP)(CH3)(CN)2	P(CC[6a]CH)(OC)2(O)	C(C[6a]C[6a]2)(CC3)(PO3)(H)	C(CC[6a]HP)(CH3)(CN)2	P(CC[6a]CH)(OC)2(O)	117.2640	0.000	1	117.2640	0.000	1	117.2640	0.000	1	117.2640	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:2:	3:4:1:1:	4:2:2:1:	C[6a]-3:C-4:P-4:O-2:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]HH)(PO3)(OH)	C(C[6a]C[6a]2)(CC[6a]OP)(H)2	P(CC[6a]CO)(OC)2(O)	C(C[6a]C[6a]2)(CC[6a]HH)(PO3)(OH)	C(C[6a]C[6a]2)(CC[6a]OP)(H)2	P(CC[6a]CO)(OC)2(O)	109.3040	0.648	2	109.3040	0.420	2	109.3040	0.420	2	109.3040	0.420	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:2:	4:1:1:1:	3:4:2:1:	C[6a]-3:P-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)	C(CC[6a]OP)(H)3	P(C[6a]C[6a]2)(CC[6a]CO)(OC[6])(O)	C(C[6a]C[6a]2)(PC[6a]OO)(CH3)(OH)	C(CC[6a]OP)(H)3	P(C[6a]C[6a]2)(CC[6a]CO)(OC[6])(O)	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	108.9190	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:2:	4:1:1:1:	4:2:2:1:	C[6a]-3:C-4:P-4:N-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	C(CC[6a]NP)(H)3	P(CC[6a]CN)(OC[6a])2(O)	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	C(CC[6a]NP)(H)3	P(CC[6a]CN)(OC[6a])2(O)	105.5850	0.000	1	105.5850	0.000	1	105.5850	0.000	1	108.4800	6.313	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:2:	4:1:1:1:	4:2:2:1:	C[6a]-3:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CH3)(PO3)(OH)	C(CC[6a]OP)(H)3	P(CC[6a]CO)(OC)2(O)	C(C[6a]C[6a]2)(CH3)(PO3)(OH)	C(CC[6a]OP)(H)3	P(CC[6a]CO)(OC)2(O)	109.9275	0.235	2	109.9275	0.055	2	109.9275	0.055	2	108.4800	6.313	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:2:	4:1:1:1:	4:4:4:4:	C-3:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CFeO)(CH3)(PC3)(OC)	C(CCOP)(H)3	P(CCCO)(CCHH)3	C(CFeO)(CH3)(PC3)(OC)	C(CCOP)(H)3	P(CCCO)(CCHH)3	110.9536	0.353	5	110.9536	0.124	5	110.9536	0.124	5	110.9536	0.124	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:2:	4:2:1:1:	4:2:2:1:	C[6a]-3:C-4:P-4:O-2:	C-4:N-2:H-1:H-1:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	C(CC[6a]OP)(NN)(H)2	P(CC[6a]CO)(OC)2(O)	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	C(CC[6a]OP)(NN)(H)2	P(CC[6a]CO)(OC)2(O)	109.1535	0.375	2	109.1535	0.141	2	109.1535	0.141	2	109.1535	0.141	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:2:	4:3:1:1:	3:4:2:1:	C[6a]-3:P-4:C-4:O-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CCHH)(OH)	C(CC[6a]OP)(CCO)(H)2	P(C[6a]C[6a]2)(CC[6a]CO)(OC)(O)	C(C[6a]C[6a]2)(PC[6a]OO)(CCHH)(OH)	C(CC[6a]OP)(CCO)(H)2	P(C[6a]C[6a]2)(CC[6a]CO)(OC)(O)	106.2900	0.000	2	106.2900	0.000	2	106.2900	0.000	2	106.2900	0.000	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:3:	4:1:1:1:	4:2:1:1:	C[6a]-3:P-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:H-1:O-1:	C(C[6a]C[6a]2)(PHOO)(CH3)(NHS)	C(CC[6a]NP)(H)3	P(CC[6a]CN)(OC)(H)(O)	C(C[6a]C[6a]2)(PHOO)(CH3)(NHS)	C(CC[6a]NP)(H)3	P(CC[6a]CN)(OC)(H)(O)	107.7540	0.000	1	107.7540	0.000	1	107.7540	0.000	1	107.7540	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:3:	4:1:1:1:	4:2:2:1:	C[6a]-3:C-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CH3)(PO3)(NHS)	C(CC[6a]NP)(H)3	P(CC[6a]CN)(OC)2(O)	C(C[6a]C[6a]2)(CH3)(PO3)(NHS)	C(CC[6a]NP)(H)3	P(CC[6a]CN)(OC)2(O)	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:3:	4:1:1:1:	4:4:2:1:	C[6a]-3:P-4:C-4:N-3:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-1:	C(C[6a]C[6a]2)(PCOO)(CH3)(NCH)	C(CC[6a]NP)(H)3	P(CC[6a]CN)(CHHO)(OC)(O)	C(C[6a]C[6a]2)(PCOO)(CH3)(NCH)	C(CC[6a]NP)(H)3	P(CC[6a]CN)(CHHO)(OC)(O)	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:3:	4:3:1:1:	4:2:2:1:	C[6a]-3:C-4:P-4:N-3:	C-4:N-3:H-1:H-1:	C-4:O-2:O-2:O-1:	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	C(CC[6a]NP)(NOO)(H)2	P(CC[6a]CN)(OC)2(O)	C(C[6a]C[6a]2)(CHHN)(PO3)(NHS)	C(CC[6a]NP)(NOO)(H)2	P(CC[6a]CN)(OC)2(O)	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:1:	C[6a]-3:C-4:P-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	C(CC[6a]CP)(H)3	P(CC[6a]CC)(CCHH)2(O)	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	C(CC[6a]CP)(H)3	P(CC[6a]CC)(CCHH)2(O)	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:4:	C-3:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5]C)(CH3)2(PC3)	C(CCCP)(H)3	P(CC3)(CH3)3	C(CC[5]C)(CH3)2(PC3)	C(CCCP)(H)3	P(CC3)(CH3)3	107.7700	0.570	2	107.7700	0.325	2	107.7700	0.325	2	107.7700	0.325	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:3:1:1:	4:4:4:1:	C[6a]-3:C-4:P-4:C-4:	C-4:C-3:H-1:H-1:	C-4:C-4:C-4:O-1:	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	C(CC[6a]CP)(CC[6a]O)(H)2	P(CC[6a]CC)(CCHH)2(O)	C(C[6a]C[6a]2)(CCHH)(PCCO)(CH3)	C(CC[6a]CP)(CC[6a]O)(H)2	P(CC[6a]CC)(CCHH)2(O)	103.3180	0.000	1	103.3180	0.000	1	103.3180	0.000	1	103.3180	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:2:4:1:	4:4:1:1:	3:4:4:1:	P-4:S-2:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(SC[6a])(CCHH)(H)	C(CHPS)(CC3)(H)2	P(C[6a]C[6a]2)(CCHS)(CH3)(O)	C(PC[6a]CO)(SC[6a])(CCHH)(H)	C(CHPS)(CC3)(H)2	P(C[6a]C[6a]2)(CCHS)(CH3)(O)	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:3:4:1:	3:4:1:1:	4:2:2:1:	C-4:N-3:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	P(CCHN)(OC)2(O)	C(CC[6a]HH)(NC[6a]H)(PO3)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	P(CCHN)(OC)2(O)	111.2853	1.710	3	111.2853	2.923	3	111.2853	2.923	3	111.2853	2.923	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:3:4:1:	4:3:1:1:	3:4:4:1:	P-4:C[6a]-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C(PC[6a]C[6]O)(C[6a]C[6a]2)(CCHH)(H)	C(CC[6a]HP)(CC[6a]O)(H)2	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)	C(CC[6a]HP)(CC[6a]O)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]CH)(O)	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:3:4:1:	4:4:1:1:	3:3:4:1:	P-4:C-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	C(CCHO)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CC[6a]O)(CCHH)(H)	C(CCHO)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)(O)	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:3:4:4:	4:1:1:1:	3:3:3:4:	P-4:Ge-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(GeCl2)(CH3)2	C(CGeCP)(H)3	P(C[6a]C[6a]2)3(CGeCC)	C(PC[6a]3)(GeCl2)(CH3)2	C(CGeCP)(H)3	P(C[6a]C[6a]2)3(CGeCC)	109.8840	1.418	2	109.8840	2.012	2	109.8840	2.012	2	109.8840	2.012	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	2:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-4:B-4:C-4:	C(CHHO)(PBCC)(H)2	C(OC[6a])(CHHP)(H)2	P(CCHH)2(BH3)(CC3)	C(CHHO)(PBCC)(H)2	C(OC[6a])(CHHP)(H)2	P(CCHH)2(BH3)(CC3)	118.4375	1.423	2	118.4375	2.026	2	118.4375	2.026	2	118.4375	2.026	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:3:4:1:	3:3:3:4:	C-4:P-4:F-1:F-1:	C[6a]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(CC[6a]C[6]H)(PC[6a]3)(F)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	P(C[6a]C[6a]2)3(CCFF)	C(CC[6a]C[6]H)(PC[6a]3)(F)2	C(C[6a]C[6a]2)(C[6]C[6]2)(CFFP)(H)	P(C[6a]C[6a]2)3(CCFF)	119.9020	0.000	1	119.9020	0.000	1	119.9020	0.000	1	119.9020	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:3:4:2:	3:4:4:4:	C-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C-4:C-4:B-4:	C(CC[6a]2O)(PC[6a]BC)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	P(C[6a]C[6a]2)(CCHH)2(BH3)	C(CC[6a]2O)(PC[6a]BC)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	P(C[6a]C[6a]2)(CCHH)2(BH3)	119.4570	1.351	2	119.4570	1.824	2	119.4570	1.824	2	119.4570	1.824	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:3:4:2:	4:4:4:1:	C-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-4:C-4:S-1:	C(CC[6a]2O)(PCCS)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	P(CCHH)(CC3)(CH3)(S)	C(CC[6a]2O)(PCCS)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	P(CCHH)(CC3)(CH3)(S)	118.2250	0.000	1	118.2250	0.000	1	118.2250	0.000	1	118.2250	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:3:4:2:	4:4:4:4:	C-4:P-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:B-4:C-4:C-4:	C(CC[6a]2O)(PBCC)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	P(CCHH)(BH3)(CC3)(CH3)	C(CC[6a]2O)(PBCC)(H)2	C(C[6a]C[6a]2)2(CHHP)(OH)	P(CCHH)(BH3)(CC3)(CH3)	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	118.3450	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	3:2:4:1:	P-4:C-4:H-1:H-1:	S-3:C-4:H-1:H-1:	C[6a]-3:O-2:C-4:O-1:	C(PC[6a]OO)(CHHS)(H)2	C(SC[6a]O)(CHHP)(H)2	P(C[6a]C[6a]2)(OC[6])(CCHH)(O)	C(PC[6a]OO)(CHHS)(H)2	C(SC[6a]O)(CHHP)(H)2	P(C[6a]C[6a]2)(OC[6])(CCHH)(O)	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	3:3:4:1:	C-4:P-4:Cl-1:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	P(C[6a]C[6a]2)2(CClCH)(O)	C(CC[6a]ClH)(PC[6a]2O)(Cl)(H)	C(C[6a]C[6a]2)(CClHP)(Cl)(H)	P(C[6a]C[6a]2)2(CClCH)(O)	113.3820	0.000	1	113.3820	0.000	1	113.3820	0.000	1	110.8331	3.219	7	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[4]HH)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CC[4]HH)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	110.8331	3.219	7	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CC[4]HH)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(S)	C(PC[6a]2S)(CC[4]HH)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(S)	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	110.8331	3.219	7	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[5]HH)(H)2	C(C[5]B[5]C[5])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CC[5]HH)(H)2	C(C[5]B[5]C[5])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	110.0390	1.710	4	110.0390	2.925	4	110.0390	2.925	4	110.8331	3.219	7	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(BH3)	C(PC[6a]2B)(CC[5]HH)(H)2	C(C[5]C[5,6a]C[5])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(BH3)	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	111.8110	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	3:4:1:1:	P-4:C-4:H-1:H-1:	B[5]-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(PC[6a]HH)(CB[5]HH)(H)2	C(B[5]O[5]2)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(H)2	C(PC[6a]HH)(CB[5]HH)(H)2	C(B[5]O[5]2)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(H)2	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	3:4:4:4:	C-4:P-4:H-1:H-1:	N-3:C-4:H-1:H-1:	N-3:C-4:C-4:C-4:	C(CHHN)(PCCN)(H)2	C(NC[6a]Co)(CHHP)(H)2	P(NC[6a]Co)(CCCH)2(CCHH)	C(CHHN)(PCCN)(H)2	C(NC[6a]Co)(CHHP)(H)2	P(NC[6a]Co)(CCCH)2(CCHH)	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	4:2:1:1:	C-4:P-4:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CC[5]HH)(PO3)(H)2	C(C[5]N[5]2)(CHHP)(H)2	P(CCHH)(OH)(O)2	C(CC[5]HH)(PO3)(H)2	C(C[5]N[5]2)(CHHP)(H)2	P(CCHH)(OH)(O)2	112.9160	1.034	3	112.9160	1.070	3	112.9160	1.070	3	112.9160	1.070	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[6]HH)(PO3)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	P(CCHH)(OH)2(O)	C(CC[6]HH)(PO3)(H)2	C(C[6]C[6]N[6])(CHHP)(H)2	P(CCHH)(OH)2(O)	113.9110	0.870	2	113.9110	0.756	2	113.9110	0.756	2	113.2320	1.850	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[6a]HH)(PO3)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHP)(H)2	P(CCHH)(OC)2(O)	C(CC[6a]HH)(PO3)(H)2	C(C[6a]C[6a,6a]C[6a])(CHHP)(H)2	P(CCHH)(OC)2(O)	112.8925	1.540	4	112.8925	2.370	4	112.8925	2.370	4	113.2320	1.850	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	4:4:2:2:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:Se-2:Se-2:	C(CC[6a]HH)(PSe2C)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	P(CCHH)2(SeAu)2	C(CC[6a]HH)(PSe2C)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	P(CCHH)2(SeAu)2	115.9420	1.293	2	115.9420	1.671	2	115.9420	1.671	2	115.9420	1.671	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C(CC[6a]HH)(PCCO)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	P(CCHH)2(CCHO)(O)	C(CC[6a]HH)(PCCO)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	P(CCHH)2(CCHO)(O)	112.7185	2.501	2	112.7185	6.255	2	112.7185	6.255	2	112.7185	6.255	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:B-4:C-4:C-4:	C(CC[6a]HH)(PBCC)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	P(CCHH)(BH3)(CC3)(CH3)	C(CC[6a]HH)(PBCC)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	P(CCHH)(BH3)(CC3)(CH3)	112.4330	0.178	2	112.4330	0.032	2	112.4330	0.032	2	112.5507	0.057	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C[6]-4:C-4:B-4:C-4:	C(CC[6a]HH)(PC[6]BC)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	P(C[6]C[6]2H)(CCHH)(BH3)(CH3)	C(CC[6a]HH)(PC[6]BC)(H)2	C(C[6a]C[6a]2)(CHHP)(H)2	P(C[6]C[6]2H)(CCHH)(BH3)(CH3)	112.7860	0.000	1	112.7860	0.000	1	112.7860	0.000	1	112.5507	0.057	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:2:1:	3:3:4:4:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:B-4:	C(CC[6a]HO)(PC[6a]2B)(H)2	C(C[6a]C[6a]2)(CHHP)(OH)(H)	P(C[6a]C[6a]2)2(CCHH)(BH3)	C(CC[6a]HO)(PC[6a]2B)(H)2	C(C[6a]C[6a]2)(CHHP)(OH)(H)	P(C[6a]C[6a]2)2(CCHH)(BH3)	110.7730	0.000	1	110.7730	0.000	1	110.7730	0.000	1	110.7730	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:2:1:	4:2:2:1:	C-4:P-4:Cl-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	C(CC[6a]HO)(PO3)(Cl)(H)	C(C[6a]C[6a]2)(CClHP)(OH)(H)	P(CClCH)(OC)2(O)	C(CC[6a]HO)(PO3)(Cl)(H)	C(C[6a]C[6a]2)(CClHP)(OH)(H)	P(CClCH)(OC)2(O)	111.0857	0.852	3	111.0857	0.726	3	111.0857	0.726	3	111.0857	0.726	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	3:4:4:1:	2:2:4:1:	C-4:P-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	O-2:O-2:C-4:Se-1:	C(CC[6a]CH)(PSeOO)(H)2	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	P(OC[6a])2(CCHH)(Se)	C(CC[6a]CH)(PSeOO)(H)2	C(C[6a]C[6a]2)(CHHP)(CH3)(H)	P(OC[6a])2(CCHH)(Se)	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	114.4620	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	2:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(OB[5])(CCHH)3	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(OB[5])(CCHH)3	113.1319	1.141	9	113.1319	1.302	9	113.8610	1.949	24	113.8610	1.949	24	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	2:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:C-4:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(OSi[5,5])(CCHH)3	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(OSi[5,5])(CCHH)3	114.2984	1.383	15	114.2984	1.911	15	113.8610	1.949	24	113.8610	1.949	24	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C(PC[5a]3)(CH3)(H)2	C(CHHP)(H)3	P(C[5a]C[5a]O[5a])3(CCHH)	C(PC[5a]3)(CH3)(H)2	C(CHHP)(H)3	P(C[5a]C[5a]O[5a])3(CCHH)	114.3100	0.000	1	114.3100	0.000	1	114.3100	0.000	1	113.8720	2.235	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C(PC[5a]2C[6a])(CH3)(H)2	C(CHHP)(H)3	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(CCHH)	C(PC[5a]2C[6a])(CH3)(H)2	C(CHHP)(H)3	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(CCHH)	113.4440	0.703	2	113.4440	0.494	2	113.4440	0.494	2	113.8720	2.235	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)3(CCHH)	113.8869	1.563	28	113.8869	2.444	28	113.8869	2.444	28	113.8720	2.235	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-1:	C(PC[6]2O)(CH3)(H)2	C(CHHP)(H)3	P(C[6]C[6]N[6])2(CCHH)(O)	C(PC[6]2O)(CH3)(H)2	C(CHHP)(H)3	P(C[6]C[6]N[6])2(CCHH)(O)	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	115.4550	20.339	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)2(CCHH)(O)	118.6440	0.000	1	118.6440	0.000	1	118.6440	0.000	1	115.4550	20.339	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:3:4:3:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)2(CCHH)(COO)	C(PC[6a]2C)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)2(CCHH)(COO)	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	111.5070	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)2(CCHH)2	C(PC[6a]2C)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)2(CCHH)2	110.9455	0.392	2	110.9455	0.154	2	110.9455	0.154	2	112.1617	4.514	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P-4:C-4:	C(PC[6a]2P)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)2(PClSS)(CCHH)	C(PC[6a]2P)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)2(PClSS)(CCHH)	114.5940	0.000	1	114.5940	0.000	1	114.5940	0.000	1	112.1617	4.514	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:2:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)(OH)(O)	C(PC[6a]OO)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)(OH)(O)	116.2650	0.000	1	116.2650	0.000	1	116.2650	0.000	1	116.2650	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:3:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)(CCH)(O)	C(PC[6a]CO)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)(CCH)(O)	113.8330	0.000	1	113.8330	0.000	1	113.8330	0.000	1	113.8330	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:3:3:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)(CAlC)(CCP)	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)(CAlC)(CCP)	114.3195	0.449	2	114.3195	0.202	2	113.1566	1.504	5	113.1566	1.504	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:3:3:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)(CAlC)(CNO)	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)(CAlC)(CNO)	111.9410	0.378	2	111.9410	0.143	2	113.1566	1.504	5	113.1566	1.504	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:3:3:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:C-3:	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)(CAlC)(COO)	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)(CAlC)(COO)	113.2620	0.000	1	113.2620	0.000	1	113.1566	1.504	5	113.1566	1.504	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C(PC[6a]C[6]O)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(O)	C(PC[6a]C[6]O)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(O)	111.7960	0.000	1	111.7960	0.000	1	111.7960	0.000	1	111.9855	0.900	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:P-4:C-4:S-1:	C(PC[6a]PS)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(PC[6a]CS)(CCHH)(S)	C(PC[6a]PS)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(PC[6a]CS)(CCHH)(S)	111.1900	0.000	1	111.1900	0.000	1	111.1900	0.000	1	111.9855	0.900	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:O-1:	C(PN[5a]CO)(CH3)(H)2	C(CHHP)(H)3	P(N[5a]C[5a,6a]C[5a])(CCHH)2(O)	C(PN[5a]CO)(CH3)(H)2	C(CHHP)(H)3	P(N[5a]C[5a,6a]C[5a])(CCHH)2(O)	112.4780	1.243	2	112.4780	1.545	2	112.4780	1.545	2	111.9855	0.900	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BC[5]Cl)(CCHH)3	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BC[5]Cl)(CCHH)3	114.2983	1.473	3	114.2983	2.170	3	114.2983	2.170	3	114.5214	2.483	27	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:B-4:	C(PC[5a]BC)(CH3)(H)2	C(CHHP)(H)3	P(C[5a]C[5a]N[5a])(CCHH)2(BH3)	C(PC[5a]BC)(CH3)(H)2	C(CHHP)(H)3	P(C[5a]C[5a]N[5a])(CCHH)2(BH3)	114.4297	1.641	6	114.4297	2.692	6	114.4297	2.692	6	114.5214	2.483	27	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6,6a]C[6a])(CCHH)3	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6,6a]C[6a])(CCHH)3	114.9527	1.475	6	114.9527	2.174	6	114.5867	2.870	12	114.5214	2.483	27	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCHH)3	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCHH)3	115.0093	2.183	3	115.0093	4.766	3	114.5867	2.870	12	114.5214	2.483	27	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)3	C(PC[6a]CC)(CH3)(H)2	C(CHHP)(H)3	P(C[6a]C[6a]2)(CCHH)3	113.4323	1.708	3	113.4323	2.917	3	114.5867	2.870	12	114.5214	2.483	27	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ge[5]-3:C-4:C-4:C-4:	C(PGe[5]CC)(CH3)(H)2	C(CHHP)(H)3	P(Ge[5]Ge[5]2)(CCHH)3	C(PGe[5]CC)(CH3)(H)2	C(CHHP)(H)3	P(Ge[5]Ge[5]2)(CCHH)3	113.9553	2.416	3	113.9553	5.838	3	113.9553	5.838	3	114.5214	2.483	27	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[4]-3:C-4:C-4:C-4:	C(PN[4]CC)(CH3)(H)2	C(CHHP)(H)3	P(N[4]B[4]2)(CCHH)3	C(PN[4]CC)(CH3)(H)2	C(CHHP)(H)3	P(N[4]B[4]2)(CCHH)3	115.2330	0.621	3	115.2330	0.386	3	115.2330	0.386	3	114.5214	2.483	27	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:1:1:1:	C-4:P-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C-4:O-1:O-1:O-1:	C(CF3)(PO3)(F)2	C(CFFP)(F)3	P(CCFF)(O)3	C(CF3)(PO3)(F)2	C(CFFP)(F)3	P(CCFF)(O)3	116.5130	0.000	1	116.5130	0.000	1	116.5130	0.000	1	116.5130	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C(PBCH)(CH3)(H)2	C(CHHP)(H)3	P(BC[6a]2H)(CCHH)2(H)	C(PBCH)(CH3)(H)2	C(CHHP)(H)3	P(BC[6a]2H)(CCHH)2(H)	114.5403	1.797	4	114.5403	3.230	4	113.9906	2.125	8	113.9310	2.975	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C(PBCH)(CH3)(H)2	C(CHHP)(H)3	P(BC[6a]3)(CCHH)2(H)	C(PBCH)(CH3)(H)2	C(CHHP)(H)3	P(BC[6a]3)(CCHH)2(H)	113.4410	0.961	4	113.4410	0.923	4	113.9906	2.125	8	113.9310	2.975	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(H)	C(PCCH)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(H)	111.9660	0.454	2	111.9660	0.206	2	111.9660	0.206	2	113.9310	2.975	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CC[6a]CC)(CCHH)2(O)	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CC[6a]CC)(CCHH)2(O)	116.3635	0.605	2	116.3635	0.366	2	114.4032	4.525	8	113.9310	2.975	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CC[6a]CH)(CCHH)2(O)	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CC[6a]CH)(CCHH)2(O)	114.8685	2.941	2	114.8685	8.649	2	114.4032	4.525	8	113.9310	2.975	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CC[6a]HH)(CCHH)2(O)	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CC[6a]HH)(CCHH)2(O)	113.1905	1.699	4	113.1905	2.887	4	114.4032	4.525	8	113.9310	2.975	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-1:	C(PCCS)(CH3)(H)2	C(CHHP)(H)3	P(CC[6a]HO)(CCHH)2(S)	C(PCCS)(CH3)(H)2	C(CHHP)(H)3	P(CC[6a]HO)(CCHH)2(S)	113.7680	0.430	2	113.7680	0.185	2	113.7680	0.185	2	113.9310	2.975	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(NB)	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(NB)	114.2758	1.662	6	114.2758	2.762	6	114.7164	2.527	12	114.5042	2.803	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(NC)	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(NC)	115.2800	2.158	3	115.2800	4.655	3	114.7164	2.527	12	114.5042	2.803	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(NP)	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(NP)	115.0340	1.063	3	115.0340	1.130	3	114.7164	2.527	12	114.5042	2.803	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OAl)	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OAl)	114.8849	1.784	12	114.8849	3.182	12	114.3981	3.022	24	114.5042	2.803	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OB)	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OB)	114.8858	1.753	6	114.8858	3.073	6	114.3981	3.022	24	114.5042	2.803	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OMg)	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OMg)	113.2410	0.692	3	113.2410	0.479	3	114.3981	3.022	24	114.5042	2.803	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OSi)	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OSi)	112.6327	0.517	3	112.6327	0.268	3	114.3981	3.022	24	114.5042	2.803	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:3:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)3(CCC)	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)3(CCC)	113.0577	0.572	3	113.0577	0.327	3	114.9190	3.521	12	114.9505	3.499	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:3:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)3(CCH)	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)3(CCH)	114.5175	0.594	6	114.5175	0.353	6	114.9190	3.521	12	114.9505	3.499	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:3:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)3(CNiW)	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)3(CNiW)	117.5833	1.351	3	117.5833	1.826	3	114.9190	3.521	12	114.9505	3.499	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:3:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(NBC)	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(NBC)	116.7400	2.270	3	116.7400	5.151	3	116.5538	3.534	6	114.9505	3.499	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:3:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(NYbC)	C(PCCN)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(NYbC)	116.3677	1.892	3	116.3677	3.580	3	116.5538	3.534	6	114.9505	3.499	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:3:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-3:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OLi2)	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OLi2)	114.4370	1.643	18	114.4370	2.700	18	114.4370	2.700	18	114.9505	3.499	36	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCCO)(CCHH)3	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCCO)(CCHH)3	116.3777	2.323	15	116.3777	5.397	15	115.0488	5.278	46	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)(CH3)3	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)(CH3)3	114.4963	0.563	4	114.4963	0.317	4	115.0488	5.278	46	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)2(CH3)2	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)2(CH3)2	114.4520	0.000	1	114.4520	0.000	1	115.0488	5.278	46	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)3(CH3)	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)3(CH3)	114.2184	0.355	5	114.2184	0.126	5	115.0488	5.278	46	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)3(CHHO)	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)3(CHHO)	113.4047	0.733	3	113.4047	0.537	3	115.0488	5.278	46	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)4	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CCHH)4	114.0982	1.593	15	114.0982	2.539	15	115.0488	5.278	46	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CC[5]RuH)(CCHH)3	C(CH3)(PC3)(H)2	C(CHHP)(H)3	P(CC[5]RuH)(CCHH)3	117.1217	5.376	3	117.1217	28.903	3	115.0488	5.278	46	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BBr3)(CCHH)3	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BBr3)(CCHH)3	115.5365	1.049	2	115.5365	1.100	2	116.9856	3.078	22	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BC[6a]3)(CCHH)3	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BC[6a]3)(CCHH)3	117.9876	1.497	12	117.9876	2.242	12	116.9856	3.078	22	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BC[6a]ClB)(CCHH)3	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BC[6a]ClB)(CCHH)3	115.2530	0.427	3	115.2530	0.182	3	116.9856	3.078	22	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BCl3)(CCHH)3	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BCl3)(CCHH)3	114.9790	0.103	2	114.9790	0.011	2	116.9856	3.078	22	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BClBC)(CCHH)3	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(BClBC)(CCHH)3	117.0140	1.612	3	117.0140	2.600	3	116.9856	3.078	22	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[3]-4:C-4:C-4:C-4:	C(PB[3]CC)(CH3)(H)2	C(CHHP)(H)3	P(B[3]C[6a]B[3]I[3])(CCHH)3	C(PB[3]CC)(CH3)(H)2	C(CHHP)(H)3	P(B[3]C[6a]B[3]I[3])(CCHH)3	115.9677	1.711	3	115.9677	2.928	3	115.9677	2.928	3	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	B[5a]-4:C-4:C-4:C-4:	C(PB[5a]CC)(CH3)(H)2	C(CHHP)(H)3	P(B[5a]O[5a]2Cl)(CCHH)3	C(PB[5a]CC)(CH3)(H)2	C(CHHP)(H)3	P(B[5a]O[5a]2Cl)(CCHH)3	113.9690	0.752	3	113.9690	0.566	3	113.9690	0.566	3	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:B-4:	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(BF3)	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(BF3)	113.0232	1.057	5	113.0232	1.116	5	114.8099	3.344	12	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:B-4:	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(BI3)	C(PBCC)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(BI3)	116.0861	0.909	7	116.0861	0.826	7	114.8099	3.344	12	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Ga-4:	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(GaI3)	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(GaI3)	114.9175	0.518	2	114.9175	0.269	2	114.9175	0.269	2	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-4:	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OLi3)	C(PCCO)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(OLi3)	114.2545	1.410	6	114.2545	1.988	6	114.2545	1.988	6	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-4:	C(PCCP)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(PC3)	C(PCCP)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(PC3)	114.5595	1.526	6	114.5595	2.327	6	114.5927	1.380	18	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-4:	C(PCCP)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(PCCN)	C(PCCP)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(PCCN)	114.3741	0.931	9	114.3741	0.868	9	114.5927	1.380	18	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-4:	C(PCCP)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(PNOO)	C(PCCP)(CH3)(H)2	C(CHHP)(H)3	P(CCHH)3(PNOO)	115.3150	1.201	3	115.3150	1.443	3	114.5927	1.380	18	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	P(GaBr2Ga)(CCHH)3	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	P(GaBr2Ga)(CCHH)3	113.4343	0.165	3	113.4343	0.027	3	113.4553	0.347	11	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	P(GaBr3)(CCHH)3	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	P(GaBr3)(CCHH)3	114.4215	0.213	2	114.4215	0.045	2	113.4553	0.347	11	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	P(GaCl2Ga)(CCHH)3	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	P(GaCl2Ga)(CCHH)3	113.1060	0.445	3	113.1060	0.198	3	113.4553	0.347	11	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	P(GaCl3)(CCHH)3	C(PGaCC)(CH3)(H)2	C(CHHP)(H)3	P(GaCl3)(CCHH)3	113.1813	0.507	3	113.1813	0.257	3	113.4553	0.347	11	115.1179	4.158	123	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:1:1:1:	7:4:4:4:	P-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	Nb[5]-7:C-4:C-4:C-4:	C(PNb[5]CC)(CH3)(H)2	C(CHHP)(H)3	P(Nb[5]P[5]2Cl3O)(CCHH)3	C(PNb[5]CC)(CH3)(H)2	C(CHHP)(H)3	P(Nb[5]P[5]2Cl3O)(CCHH)3	115.3600	1.868	2	115.3600	3.490	2	115.3600	3.490	2	115.3600	3.490	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	3:3:4:1:	C-4:P-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-3:C-3:C-4:O-1:	C(CCHH)(PCCO)(H)2	C(CHHP)(CN)(H)2	P(CC[6a]O)2(CCHH)(O)	C(CCHH)(PCCO)(H)2	C(CHHP)(CN)(H)2	P(CC[6a]O)2(CCHH)(O)	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	111.1360	8.545	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:N-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CHHN)(H)2	C(CHHP)(NC)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CHHN)(H)2	C(CHHP)(NC)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	109.0690	0.000	1	109.0690	0.000	1	109.0690	0.000	1	111.1360	8.545	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CHHS)(H)2	C(CHHP)(SC)(H)2	P(C[6a]C[6a]2)(CCHH)2(O)	C(PC[6a]CO)(CHHS)(H)2	C(CHHP)(SC)(H)2	P(C[6a]C[6a]2)(CCHH)2(O)	113.1860	3.239	2	113.1860	10.488	2	113.1860	10.488	2	114.5925	6.834	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-4:S-1:	C(PC[6a]CS)(CHHS)(H)2	C(CHHP)(SC)(H)2	P(C[6a]C[6a]2)(CCHH)2(S)	C(PC[6a]CS)(CHHS)(H)2	C(CHHP)(SC)(H)2	P(C[6a]C[6a]2)(CCHH)2(S)	115.9990	1.450	2	115.9990	2.101	2	115.9990	2.101	2	114.5925	6.834	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	3:4:4:2:	P-4:C-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(CHHS)(H)2	C(CHHP)(SC)(H)2	P(C[6a]C[6a]2)(CCHH)2(ONi)	C(PC[6a]CO)(CHHS)(H)2	C(CHHP)(SC)(H)2	P(C[6a]C[6a]2)(CCHH)2(ONi)	116.1370	0.000	1	116.1370	0.000	1	116.1370	0.000	1	116.1370	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CHHO)(H)2	C(CHHP)(OC)(H)2	P(C[6a]C[6a]2)(CCHH)2(BH3)	C(PC[6a]BC)(CHHO)(H)2	C(CHHP)(OC)(H)2	P(C[6a]C[6a]2)(CCHH)2(BH3)	116.0958	2.019	10	116.0958	4.074	10	116.0958	4.074	10	116.0958	4.074	10	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-4:C-4:O-1:	C(CHHS)(PCCO)(H)2	C(CHHP)(SC)(H)2	P(CCHH)(CHHO)2(O)	C(CHHS)(PCCO)(H)2	C(CHHP)(SC)(H)2	P(CCHH)(CHHO)2(O)	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	114.4490	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CHHP)(CN)(H)2	P(CCHH)3(CFHH)	C(CCHH)(PC3)(H)2	C(CHHP)(CN)(H)2	P(CCHH)3(CFHH)	114.5583	1.650	3	114.5583	2.724	3	114.5583	2.724	3	115.2857	3.862	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:B-4:C-4:	C(CHHO)(PBCC)(H)2	C(CHHP)(OC)(H)2	P(CCHH)2(BH3)(CC3)	C(CHHO)(PBCC)(H)2	C(CHHP)(OC)(H)2	P(CCHH)2(BH3)(CC3)	114.0498	1.123	4	114.0498	1.261	4	114.0498	1.261	4	115.2857	3.862	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(PC3)(H)2	C(CHHP)(OC)(H)2	P(CCHH)4	C(CHHO)(PC3)(H)2	C(CHHP)(OC)(H)2	P(CCHH)4	116.7910	0.211	2	116.7910	0.044	2	117.0673	2.999	4	115.2857	3.862	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHO)(PC3)(H)2	C(CHHP)(OH)(H)2	P(CCHH)(CH3)3	C(CHHO)(PC3)(H)2	C(CHHP)(OH)(H)2	P(CCHH)(CH3)3	117.3435	2.941	2	117.3435	8.649	2	117.0673	2.999	4	115.2857	3.862	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:2:2:1:	4:2:2:1:	C-4:P-4:F-1:F-1:	C-4:O-2:O-2:H-1:	C-4:O-2:O-2:O-1:	C(CHOO)(PO3)(F)2	C(CFFP)(OH)2(H)	P(CCFF)(OC)2(O)	C(CHOO)(PO3)(F)2	C(CFFP)(OH)2(H)	P(CCFF)(OC)2(O)	116.4730	0.000	1	116.4730	0.000	1	116.4730	0.000	1	116.4730	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(COO)(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(COO)(H)2	P(C[6a]C[6a]2)3(CCHH)	112.0520	2.284	5	112.0520	5.217	5	112.0520	5.217	5	112.0520	5.217	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(H)2	C(CHHP)(CNO)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCHH)(H)2	C(CHHP)(CNO)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	110.8040	17.146	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CCHH)(H)2	C(CHHP)(CCP)(H)2	P(C[6a]C[6a]2)2(CCHH)(S)	C(PC[6a]2S)(CCHH)(H)2	C(CHHP)(CCP)(H)2	P(C[6a]C[6a]2)2(CCHH)(S)	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	110.8040	17.146	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CCHH)(H)2	C(CHHP)(COO)(H)2	P(C[6a]C[6a]2)2(CCHH)2	C(PC[6a]2C)(CCHH)(H)2	C(CHHP)(COO)(H)2	P(C[6a]C[6a]2)2(CCHH)2	114.8010	0.000	1	114.8010	0.000	1	114.8010	0.000	1	114.8010	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	3:4:1:1:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-1:O-1:	C(PC[6a]OO)(CCHH)(H)2	C(CHHP)(COO)(H)2	P(C[6a]C[6a]2)(CCHH)(O)2	C(PC[6a]OO)(CCHH)(H)2	C(CHHP)(COO)(H)2	P(C[6a]C[6a]2)(CCHH)(O)2	114.0495	1.718	2	114.0495	2.950	2	114.0495	2.950	2	114.0495	2.950	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	3:4:2:1:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(CCHH)(H)2	C(CHHP)(COO)(H)2	P(C[6a]C[6a]2)(CCHH)(OH)(O)	C(PC[6a]OO)(CCHH)(H)2	C(CHHP)(COO)(H)2	P(C[6a]C[6a]2)(CCHH)(OH)(O)	113.4360	0.371	2	113.4360	0.137	2	113.4360	0.137	2	113.4360	0.137	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	3:4:4:2:	P-4:C-4:H-1:H-1:	C-4:S-3:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(CHHS)(H)2	C(CHHP)(SNiC)(H)2	P(C[6a]C[6a]2)(CCHH)2(ONi)	C(PC[6a]CO)(CHHS)(H)2	C(CHHP)(SNiC)(H)2	P(C[6a]C[6a]2)(CCHH)2(ONi)	114.3220	0.000	1	114.3220	0.000	1	114.3220	0.000	1	114.3220	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CCHH)(H)2	C(CHHP)(COO)(H)2	P(C[6a]C[6a]2)(CCCH)2(CCHH)	C(PC[6a]CC)(CCHH)(H)2	C(CHHP)(COO)(H)2	P(C[6a]C[6a]2)(CCCH)2(CCHH)	115.1820	0.000	1	115.1820	0.000	1	115.1820	0.000	1	115.1820	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(PO3)(H)2	C(CHHP)(COO)(H)2	P(CCHH)(OH)(O)2	C(CCHH)(PO3)(H)2	C(CHHP)(COO)(H)2	P(CCHH)(OH)(O)2	111.4557	1.199	3	111.4557	1.437	3	111.4557	1.437	3	111.4557	1.437	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	C(CHHP)(COO)(H)2	P(CCHH)(OH)2(O)	C(CCHH)(PO3)(H)2	C(CHHP)(COO)(H)2	P(CCHH)(OH)2(O)	111.1860	0.000	1	111.1860	0.000	1	111.9295	1.106	2	111.9295	1.106	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	C(CHHP)(COO)(H)2	P(CCHH)(OZn)(OH)(O)	C(CCHH)(PO3)(H)2	C(CHHP)(COO)(H)2	P(CCHH)(OZn)(OH)(O)	112.6730	0.000	1	112.6730	0.000	1	111.9295	1.106	2	111.9295	1.106	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	4:4:2:1:	C-4:P-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:O-2:O-1:	C(CCHH)(PCOO)(H)2	C(CHHP)(COO)(H)2	P(CCHH)(CCHN)(OC)(O)	C(CCHH)(PCOO)(H)2	C(CHHP)(COO)(H)2	P(CCHH)(CCHN)(OC)(O)	113.8700	0.000	1	113.8700	0.000	1	113.8700	0.000	1	113.8700	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:I-1:	C(CHHP)(PCCI)(H)2	C(CHHP)(PCI)(H)2	P(CCHH)(CC3)2(I)	C(CHHP)(PCCI)(H)2	C(CHHP)(PCI)(H)2	P(CCHH)(CC3)2(I)	116.9920	0.000	1	116.9920	0.000	1	116.9920	0.000	1	114.0630	17.158	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:Ge-1:	C(PGeCC)(CHHP)(H)2	C(CHHP)(PCC)(H)2	P(CCHH)(CH3)2(Ge)	C(PGeCC)(CHHP)(H)2	C(CHHP)(PCC)(H)2	P(CCHH)(CH3)2(Ge)	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	114.0630	17.158	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:B-4:	C(PC[6]2B)(CHHN)(H)2	C(CHHP)(NBC)(H)2	P(C[6]C[6]2H)2(CCHH)(BH3)	C(PC[6]2B)(CHHN)(H)2	C(CHHP)(NBC)(H)2	P(C[6]C[6]2H)2(CCHH)(BH3)	114.0720	0.194	2	114.0720	0.038	2	115.4313	2.620	4	114.5156	6.157	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:B-4:	C(PC[6]2B)(CHHN)(H)2	C(CHHP)(NCH)(H)2	P(C[6]C[6]2H)2(CCHH)(BH3)	C(PC[6]2B)(CHHN)(H)2	C(CHHP)(NCH)(H)2	P(C[6]C[6]2H)2(CCHH)(BH3)	116.7905	0.658	2	116.7905	0.433	2	115.4313	2.620	4	114.5156	6.157	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CHHN)(H)2	C(CHHP)(NSiC)(H)2	P(GaCl2N)(CCCH)2(CCHH)	C(PGaCC)(CHHN)(H)2	C(CHHP)(NSiC)(H)2	P(GaCl2N)(CCCH)2(CCHH)	110.8530	0.000	1	110.8530	0.000	1	110.8530	0.000	1	114.5156	6.157	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:3:2:1:	4:2:2:1:	C-4:P-4:F-1:F-1:	C-4:C-3:O-2:H-1:	C-4:O-2:O-2:O-1:	C(CCHO)(PO3)(F)2	C(CFFP)(CCH)(OH)(H)	P(CCFF)(OC)2(O)	C(CCHO)(PO3)(F)2	C(CFFP)(CCH)(OH)(H)	P(CCFF)(OC)2(O)	113.0200	0.000	1	113.0200	0.000	1	113.0200	0.000	1	113.0200	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:2:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:Se-2:C-4:	C(PC[6a]2Se)(CHHP)(H)2	C(PC[6a]2Se)(CHHP)(H)2	P(C[6a]C[6a]2)2(SeC[6a])(CCHH)	C(PC[6a]2Se)(CHHP)(H)2	C(PC[6a]2Se)(CHHP)(H)2	P(C[6a]C[6a]2)2(SeC[6a])(CCHH)	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[5,6]C[6a]2)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	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	C(BC[6a]2C)(CHHP)(H)2	P(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)2(CCHH)	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C(PC[6a]C[6]2)(CCHH)(H)2	C(CHHP)(CH3)(H)2	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CCHH)	C(PC[6a]C[6]2)(CCHH)(H)2	C(CHHP)(CH3)(H)2	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CCHH)	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CCCH)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CCCH)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	114.0720	0.000	1	114.0720	0.000	1	114.4936	4.625	25	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	112.5380	1.417	6	112.5380	2.009	6	114.4936	4.625	25	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CClHH)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CClHH)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	112.1810	0.000	1	112.1810	0.000	1	114.4936	4.625	25	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	116.9820	0.000	1	116.9820	0.000	1	114.4936	4.625	25	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(CH3)(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(CH3)(H)2	P(C[6a]C[6a]2)3(CCHH)	113.5370	0.923	3	113.5370	0.852	3	114.4936	4.625	25	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(CHHS)(H)2	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(CCHH)	115.5620	0.000	1	115.5620	0.000	1	114.4936	4.625	25	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(COOU)(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CHHP)(COOU)(H)2	P(C[6a]C[6a]2)3(CCHH)	112.1120	0.000	1	112.1120	0.000	1	114.4936	4.625	25	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6a]C[6a]2)3(CCHH)	115.2376	2.306	5	115.2376	5.319	5	114.4936	4.625	25	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CN[5]HH)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	116.6190	1.130	5	116.6190	1.276	5	114.4936	4.625	25	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCHH)(H)2	C(CN[5a]HH)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	116.3080	0.000	1	116.3080	0.000	1	114.4936	4.625	25	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:C-4:	C(PC[6a]2P)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(PC[6a]2)(CCHH)	C(PC[6a]2P)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(PC[6a]2)(CCHH)	114.9840	0.000	2	114.9840	0.000	2	114.9840	0.000	2	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:N-3:P-3:C-4:	C(PC[6a]NP)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(NC[6a]Zn)(PC[6a]N)(CCHH)	C(PC[6a]NP)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(NC[6a]Zn)(PC[6a]N)(CCHH)	114.4010	0.000	1	114.4010	0.000	1	114.4010	0.000	1	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CC[6a]C)(CCHH)	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CC[6a]C)(CCHH)	111.8770	0.000	1	111.8770	0.000	1	112.7885	1.662	2	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CC[6a]N)(CCHH)	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CC[6a]N)(CCHH)	113.7000	0.000	1	113.7000	0.000	1	112.7885	1.662	2	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CHHP)(H)2	C(PC[6a]3)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CHHP)(H)2	C(PC[6a]3)(CHHP)(H)2	P(C[6a]C[6a]2)3(CCHH)	112.1145	1.720	2	112.1145	2.960	2	112.1145	2.960	2	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:C-4:	C(PC[6a]2P)(CHHP)(H)2	C(PC[6a]2P)(CHHP)(H)2	P(C[6a]C[6a]2)2(PC[6a]2)(CCHH)	C(PC[6a]2P)(CHHP)(H)2	C(PC[6a]2P)(CHHP)(H)2	P(C[6a]C[6a]2)2(PC[6a]2)(CCHH)	111.5000	0.000	1	111.5000	0.000	1	111.5000	0.000	1	114.1727	4.140	35	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(PC[6a]2H)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(H)	C(PC[6a]2H)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(H)	110.9330	0.000	1	110.9330	0.000	1	110.2190	1.020	2	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(PC[6a]2H)(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(H)	C(PC[6a]2H)(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(H)	109.5050	0.000	1	109.5050	0.000	1	110.2190	1.020	2	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C[6]-3:C-4:O-1:	C(PC[6]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6]C[6]N[6])2(CCHH)(O)	C(PC[6]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6]C[6]N[6])2(CCHH)(O)	113.9384	2.626	5	113.9384	6.898	5	113.9384	6.898	5	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:Cl-1:	C(PC[6a]2Cl)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6a]C[6a]2)2(CCHH)(Cl)	C(PC[6a]2Cl)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6a]C[6a]2)2(CCHH)(Cl)	114.3340	0.369	2	114.3340	0.136	2	114.3340	0.136	2	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(PC[6a]2H)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(H)	C(PC[6a]2H)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(H)	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	113.0288	2.068	4	113.0288	4.277	4	113.0288	4.277	4	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(PC[6a]2Se)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(Se)	C(PC[6a]2Se)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(Se)	113.4060	0.000	1	113.4060	0.000	1	113.4060	0.000	1	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6]-3:C-4:I-1:	C(PC[6a]C[6]I)(CHHP)(H)2	C(PC[6a]C[6]I)(CHHP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	C(PC[6a]C[6]I)(CHHP)(H)2	C(PC[6a]C[6]I)(CHHP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:Br-1:	C(PC[6a]2Br)(CHHP)(H)2	C(PC[6a]2Br)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(Br)	C(PC[6a]2Br)(CHHP)(H)2	C(PC[6a]2Br)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(Br)	111.6455	2.132	2	111.6455	4.545	2	111.3917	2.466	3	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:Br-1:	C(PC[6a]2Br)(CHHP)(H)2	C(PC[6a]2S)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(Br)	C(PC[6a]2Br)(CHHP)(H)2	C(PC[6a]2S)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(Br)	110.8840	0.000	1	110.8840	0.000	1	111.3917	2.466	3	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(PC[6a]2H)(CHHP)(H)2	C(PC[6a]2H)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(H)	C(PC[6a]2H)(CHHP)(H)2	C(PC[6a]2H)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(H)	112.2670	0.000	1	112.2670	0.000	1	112.2670	0.000	1	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2Cu)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2Cu)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	111.5670	0.000	1	111.5670	0.000	1	111.4119	1.805	16	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	111.3914	1.635	11	111.3914	2.674	11	111.4119	1.805	16	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]N[6a])2(CCHH)(O)	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]N[6a])2(CCHH)(O)	111.1580	0.057	2	111.1580	0.003	2	111.4119	1.805	16	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(O)	111.7015	0.084	2	111.7015	0.007	2	111.4119	1.805	16	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CHHP)(H)2	C(PC[6a]2Br)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(S)	C(PC[6a]2S)(CHHP)(H)2	C(PC[6a]2Br)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(S)	109.9950	0.000	1	109.9950	0.000	1	111.2615	3.208	2	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(S)	C(PC[6a]2S)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(S)	112.5280	0.000	1	112.5280	0.000	1	111.2615	3.208	2	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:Se-1:	C(PC[6a]2Se)(CHHP)(H)2	C(PC[6a]2Se)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(Se)	C(PC[6a]2Se)(CHHP)(H)2	C(PC[6a]2Se)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(Se)	111.9273	1.726	8	111.9273	2.977	8	111.9273	2.977	8	112.0463	3.298	46	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(OB)	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(OB)	110.4550	0.000	1	110.4550	0.000	1	113.3635	16.919	2	113.8546	4.177	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(OSn)	C(PC[6a]2O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(OSn)	116.2720	0.000	1	116.2720	0.000	1	113.3635	16.919	2	113.8546	4.177	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:2:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-2:	C(PC[6a]2S)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(SCu)	C(PC[6a]2S)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(SCu)	114.3210	0.378	2	114.3210	0.143	2	114.3210	0.143	2	113.8546	4.177	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:2:	P-4:C-4:H-1:H-1:	N-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CHHN)(H)2	C(NRuCH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(ORu)	C(PC[6a]2O)(CHHN)(H)2	C(NRuCH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(ORu)	114.0920	2.229	3	114.0920	4.970	3	114.0920	4.970	3	113.8546	4.177	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:2:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-2:	C(PC[6a]2N)(CHHP)(H)2	C(PC[6a]2N)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(NS)	C(PC[6a]2N)(CHHP)(H)2	C(PC[6a]2N)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(NS)	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	113.8546	4.177	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:2:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(OH)	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(OH)	113.2890	1.308	3	113.2890	1.711	3	114.0841	3.739	10	113.8546	4.177	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:2:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(OMn)	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(OMn)	114.7100	2.196	6	114.7100	4.821	6	114.0841	3.739	10	113.8546	4.177	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:2:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(OSn)	C(PC[6a]2O)(CHHP)(H)2	C(PC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(OSn)	112.7140	0.000	1	112.7140	0.000	1	114.0841	3.739	10	113.8546	4.177	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:3:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(COO)	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(COO)	115.6520	0.000	1	115.6520	0.000	1	115.6520	0.000	1	115.6520	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)2	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)2	110.7910	0.000	1	110.7910	0.000	1	111.5145	5.192	4	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(CH3)	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(CH3)	113.9890	0.000	1	113.9890	0.000	1	111.5145	5.192	4	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2I)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(CH3)	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]2I)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(CH3)	108.7160	0.000	1	108.7160	0.000	1	111.5145	5.192	4	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]3)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)2	C(PC[6a]2C)(CBHH)(H)2	C(BC[6a]3)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)2	112.5620	0.000	1	112.5620	0.000	1	111.5145	5.192	4	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CC[6a]HH)(CCHH)	C(PC[6a]2C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CC[6a]HH)(CCHH)	112.9700	0.000	1	112.9700	0.000	1	113.1320	0.052	2	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CC[6a]3)(CCHH)	C(PC[6a]2C)(CCHH)(H)2	C(CSiHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CC[6a]3)(CCHH)	113.2940	0.000	1	113.2940	0.000	1	113.1320	0.052	2	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)2	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)2	110.6490	0.000	1	110.6490	0.000	1	112.8985	3.670	6	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	P(C[6a]C[6a]2)2(CPdCH)(CCHH)	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]2Pd)(CHHP)(H)2	P(C[6a]C[6a]2)2(CPdCH)(CCHH)	114.0570	1.626	2	114.0570	2.645	2	112.8985	3.670	6	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]CC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(CH3)	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]CC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(CH3)	111.7375	0.429	2	111.7375	0.184	2	112.8985	3.670	6	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]RhC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(CH3)	C(PC[6a]2C)(CHHP)(H)2	C(PC[6a]RhC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)(CH3)	115.1530	0.000	1	115.1530	0.000	1	112.8985	3.670	6	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-4:C-4:	C(PC[6a]2Ga)(CHHP)(H)2	C(PC[6a]2Ga)(CHHP)(H)2	P(C[6a]C[6a]2)2(GaCl2C)(CCHH)	C(PC[6a]2Ga)(CHHP)(H)2	C(PC[6a]2Ga)(CHHP)(H)2	P(C[6a]C[6a]2)2(GaCl2C)(CCHH)	113.8890	0.000	1	113.8890	0.000	1	112.9137	0.714	3	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-4:C-4:	C(PC[6a]2Ga)(CHHP)(H)2	C(PC[6a]2Ga)(CHHP)(H)2	P(C[6a]C[6a]2)2(GaCl3)(CCHH)	C(PC[6a]2Ga)(CHHP)(H)2	C(PC[6a]2Ga)(CHHP)(H)2	P(C[6a]C[6a]2)2(GaCl3)(CCHH)	112.4540	0.000	1	112.4540	0.000	1	112.9137	0.714	3	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:Ga-4:C-4:	C(PC[6a]2Ga)(CHHP)(H)2	C(PC[6a]2Ga)(CHHP)(H)2	P(C[6a]C[6a]2)2(GaRuII)(CCHH)	C(PC[6a]2Ga)(CHHP)(H)2	C(PC[6a]2Ga)(CHHP)(H)2	P(C[6a]C[6a]2)2(GaRuII)(CCHH)	112.3980	0.000	1	112.3980	0.000	1	112.9137	0.714	3	112.5636	2.964	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:1:1:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C(PC[6a]HH)(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(H)2	C(PC[6a]HH)(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(H)2	108.9100	0.000	1	108.9100	0.000	1	108.9100	0.000	1	114.4273	68.830	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:1:1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-1:S-1:	C(PC[6a]OS)(CCHH)(H)2	C(CHHP)(CH3)(H)2	P(C[6a]C[6a]2)(CCHH)(O)(S)	C(PC[6a]OS)(CCHH)(H)2	C(CHHP)(CH3)(H)2	P(C[6a]C[6a]2)(CCHH)(O)(S)	126.7830	0.000	1	126.7830	0.000	1	126.7830	0.000	1	114.4273	68.830	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:1:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:O-1:	C(PC[6a]HO)(CHHP)(H)2	C(PC[6a]HO)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(H)(O)	C(PC[6a]HO)(CHHP)(H)2	C(PC[6a]HO)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(H)(O)	111.0080	0.038	2	111.0080	0.001	2	111.0080	0.001	2	114.4273	68.830	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:2:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(CHHP)(H)2	C(PC[6a]OO)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(OH)(O)	C(PC[6a]OO)(CHHP)(H)2	C(PC[6a]OO)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(OH)(O)	111.9770	0.000	1	111.9770	0.000	1	111.9770	0.000	1	111.9770	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:2:2:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	Se-3:C-4:Se-2:Se-2:	C(CCHH)(PSe3)(H)2	C(CHHP)(CH3)(H)2	P(SeMg2)(CCHH)(SeMg)2	C(CCHH)(PSe3)(H)2	C(CHHP)(CH3)(H)2	P(SeMg2)(CCHH)(SeMg)2	116.3690	0.000	1	116.3690	0.000	1	116.3690	0.000	1	115.0940	3.251	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:2:2:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:S-2:S-2:	C(PC[6a]SS)(CCHH)(H)2	C(CCCH)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(SNi)2	C(PC[6a]SS)(CCHH)(H)2	C(CCCH)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(SNi)2	113.8190	0.000	1	113.8190	0.000	1	113.8190	0.000	1	115.0940	3.251	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:P-4:N-3:C-4:	C(PC[6a]NP)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(PC[6a]NS)(NC[6a]Zn)(CCHH)	C(PC[6a]NP)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(PC[6a]NS)(NC[6a]Zn)(CCHH)	114.4340	2.267	2	114.4340	5.139	2	114.4340	5.139	2	114.4340	5.139	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(PC[6a]CH)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)2(H)	C(PC[6a]CH)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)2(H)	113.5190	0.000	1	113.5190	0.000	1	113.5555	0.003	2	113.7172	5.861	9	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(PC[6a]CH)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)2(H)	C(PC[6a]CH)(CBHH)(H)2	C(BC[6a]2H)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)2(H)	113.5920	0.000	1	113.5920	0.000	1	113.5555	0.003	2	113.7172	5.861	9	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:B-4:H-1:	C(PC[6a]BH)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6a]C[6a]2)(CCHH)(BH3)(H)	C(PC[6a]BH)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6a]C[6a]2)(CCHH)(BH3)(H)	116.5130	0.232	2	116.5130	0.054	2	116.5130	0.054	2	113.7172	5.861	9	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)2(O)	C(PC[6a]CO)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)2(O)	114.4995	0.395	2	114.4995	0.156	2	114.4995	0.156	2	113.7172	5.861	9	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:B-1:	C(PC[6a]BC)(CHHP)(H)2	C(PC[6a]BC)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(B)	C(PC[6a]BC)(CHHP)(H)2	C(PC[6a]BC)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(B)	112.9450	0.778	2	112.9450	0.605	2	112.9450	0.605	2	113.7172	5.861	9	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CHHP)(H)2	C(PC[6a]CO)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(O)	C(PC[6a]CO)(CHHP)(H)2	C(PC[6a]CO)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(O)	108.4290	0.000	1	108.4290	0.000	1	108.4290	0.000	1	113.7172	5.861	9	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	P-3:C-4:C-4:C-4:	C(CHHP)(PCCP)(H)2	C(CHHP)(PCCP)(H)2	P(PC[6a]2)(CCHH)(CH3)2	C(CHHP)(PCCP)(H)2	C(CHHP)(PCCP)(H)2	P(PC[6a]2)(CCHH)(CH3)2	112.6714	0.850	5	112.6714	0.722	5	112.6714	0.722	5	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CBHH)(H)2	C(BC[6a]3)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CC3)2	C(PC[6a]CC)(CBHH)(H)2	C(BC[6a]3)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CC3)2	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C(PC[6]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6]C[6]2)(CCHH)(CC3)2	C(PC[6]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6]C[6]2)(CCHH)(CC3)2	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:B-4:C-4:C-4:	C(PC[6a]BC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(BHHP)(CCHH)2	C(PC[6a]BC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(BHHP)(CCHH)2	113.3460	0.110	2	113.3460	0.012	2	113.3460	0.012	2	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	C(PC[6a]BC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	112.7495	0.136	2	112.7495	0.019	2	112.7495	0.019	2	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)3	C(PC[6a]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)3	116.1000	2.481	6	116.1000	6.156	6	116.1000	6.156	6	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6]-4:C-4:B-4:	C(PC[6a]C[6]B)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(BH3)	C(PC[6a]C[6]B)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)(BH3)	115.2870	0.000	1	115.2870	0.000	1	115.2870	0.000	1	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[6]-3:C-4:C-4:C-4:	C(PN[6]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(N[6]C[6,6a]Ge[6])(CCHH)3	C(PN[6]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(N[6]C[6,6a]Ge[6])(CCHH)3	114.9527	1.755	6	114.9527	3.080	6	114.9527	3.080	6	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CHHP)(H)2	C(PC[6a]BC)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)2(BH3)	C(PC[6a]BC)(CHHP)(H)2	C(PC[6a]BC)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)2(BH3)	112.6583	1.815	10	112.6583	3.294	10	112.6069	2.696	13	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CHHP)(H)2	C(PC[6a]BC)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	C(PC[6a]BC)(CHHP)(H)2	C(PC[6a]BC)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(BH3)	112.4357	1.137	3	112.4357	1.294	3	112.6069	2.696	13	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)2(CH3)	C(PC[6a]CC)(CHHP)(H)2	C(PC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)2(CH3)	112.9865	1.059	2	112.9865	1.121	2	112.9865	1.121	2	113.9850	5.568	39	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CCHH)(PO3)(H)2	C(CC[6a]3)(CHHP)(H)2	P(CCHH)(O)3	C(CCHH)(PO3)(H)2	C(CC[6a]3)(CHHP)(H)2	P(CCHH)(O)3	112.9890	0.000	1	112.9890	0.000	1	113.2520	0.138	2	113.2520	0.138	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:1:1:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CCHH)(PO3)(H)2	C(CHHP)(CNPP)(H)2	P(CCHH)(O)3	C(CCHH)(PO3)(H)2	C(CHHP)(CNPP)(H)2	P(CCHH)(O)3	113.5150	0.000	1	113.5150	0.000	1	113.2520	0.138	2	113.2520	0.138	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:P-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:O-2:O-1:O-1:	C(CCFF)(PO3)(F)2	C(CCFF)(CFFP)(F)2	P(CCFF)(OH)(O)2	C(CCFF)(PO3)(F)2	C(CCFF)(CFFP)(F)2	P(CCFF)(OH)(O)2	115.5600	0.000	1	115.5600	0.000	1	115.5600	0.000	1	114.4617	1.713	24	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(OH)(O)2	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(OH)(O)2	114.7743	1.319	17	114.7743	1.741	17	114.6339	1.792	19	114.4617	1.713	24	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(PO3)(H)2	C(CHHP)2(H)2	P(CCHH)(OH)(O)2	C(CCHH)(PO3)(H)2	C(CHHP)2(H)2	P(CCHH)(OH)(O)2	113.4405	1.107	2	113.4405	1.225	2	114.6339	1.792	19	114.4617	1.713	24	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:O-2:H-1:O-1:	C(CHHP)(PHOO)(H)2	C(CHHP)(PHOO)(H)2	P(CCHH)(OH)(H)(O)	C(CHHP)(PHOO)(H)2	C(CHHP)(PHOO)(H)2	P(CCHH)(OH)(H)(O)	112.7980	0.000	1	112.7980	0.000	1	112.7980	0.000	1	114.4617	1.713	24	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CHHP)(PO3)(H)2	C(CHHP)(PO3)(H)2	P(CCHH)(OH)(O)2	C(CHHP)(PO3)(H)2	C(CHHP)(PO3)(H)2	P(CCHH)(OH)(O)2	113.5597	0.287	3	113.5597	0.083	3	113.5597	0.083	3	114.4617	1.713	24	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(OH)2(O)	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(OH)2(O)	115.2776	1.365	20	115.2776	1.862	20	115.1098	2.242	30	115.0129	2.262	32	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(OZn)(OH)(O)	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(OZn)(OH)(O)	114.7265	0.462	4	114.7265	0.214	4	115.1098	2.242	30	115.0129	2.262	32	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	C(CC[6a]2C)(CHHP)(H)2	P(CCHH)(OC)2(O)	C(CCHH)(PO3)(H)2	C(CC[6a]2C)(CHHP)(H)2	P(CCHH)(OC)2(O)	116.5780	3.804	2	116.5780	14.472	2	115.1098	2.242	30	115.0129	2.262	32	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	C(CHHP)(CNPP)(H)2	P(CCHH)(OH)2(O)	C(CCHH)(PO3)(H)2	C(CHHP)(CNPP)(H)2	P(CCHH)(OH)2(O)	114.6580	0.000	1	114.6580	0.000	1	115.1098	2.242	30	115.0129	2.262	32	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	C(CHHP)2(H)2	P(CCHH)(OH)2(O)	C(CCHH)(PO3)(H)2	C(CHHP)2(H)2	P(CCHH)(OH)2(O)	114.1295	1.191	2	114.1295	1.420	2	115.1098	2.242	30	115.0129	2.262	32	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)(H)2	C(CMnOO)(CHHP)(H)2	P(CCHH)(OMn)(OH)(O)	C(CCHH)(PO3)(H)2	C(CMnOO)(CHHP)(H)2	P(CCHH)(OMn)(OH)(O)	112.7630	0.000	1	112.7630	0.000	1	115.1098	2.242	30	115.0129	2.262	32	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CHHP)(PO3)(H)2	C(CHHP)(PO3)(H)2	P(CCHH)(OC)(OH)(O)	C(CHHP)(PO3)(H)2	C(CHHP)(PO3)(H)2	P(CCHH)(OC)(OH)(O)	113.0090	0.000	1	113.0090	0.000	1	113.0090	0.000	1	115.0129	2.262	32	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[5]HH)(PO3)(H)2	C(C[5]C[5]2H)(CHHP)(H)2	P(CCHH)(OC)2(O)	C(CC[5]HH)(PO3)(H)2	C(C[5]C[5]2H)(CHHP)(H)2	P(CCHH)(OC)2(O)	114.1100	0.000	1	114.1100	0.000	1	114.1100	0.000	1	115.0129	2.262	32	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(OZn)(OH)2	C(CCHH)(PO3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(OZn)(OH)2	112.8445	0.228	2	112.8445	0.052	2	112.8445	0.052	2	113.0603	0.166	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:2:2:2:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CHHP)(PO3)(H)2	C(CHHP)(PO3)(H)2	P(CCHH)(OCu)2(OH)	C(CHHP)(PO3)(H)2	C(CHHP)(PO3)(H)2	P(CCHH)(OCu)2(OH)	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	113.0603	0.166	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:3:2:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-3:S-2:O-1:	C(CCHH)(PNOS)(H)2	C(CHHN)(CHHP)(H)2	P(CCHH)(NCH)(SC)(O)	C(CCHH)(PNOS)(H)2	C(CHHN)(CHHP)(H)2	P(CCHH)(NCH)(SC)(O)	113.8775	2.473	2	113.8775	6.115	2	113.8775	6.115	2	113.8775	6.115	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:3:3:4:	P-4:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2C[5])(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	P(C[5]B[5]O[5]H)(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2C[5])(CBHH)(H)2	C(BC[6a]2O)(CHHP)(H)2	P(C[5]B[5]O[5]H)(C[6a]C[6a]2)2(CCHH)	112.3775	0.091	2	112.3775	0.008	2	112.3775	0.008	2	112.3775	0.008	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:3:4:4:	C-4:P-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:P-3:C-4:C-4:	C(CHHP)(PCCP)(H)2	C(PMoCC)(CHHP)(H)2	P(CCHH)(PMoN)(CH3)2	C(CHHP)(PCCP)(H)2	C(PMoCC)(CHHP)(H)2	P(CCHH)(PMoN)(CH3)2	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	113.1950	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:1:1:	C-4:P-4:F-1:F-1:	C-4:C-4:F-1:F-1:	C-4:C-4:O-1:O-1:	C(CCFF)(PCOO)(F)2	C(CCFF)(CFFP)(F)2	P(CCFF)2(O)2	C(CCFF)(PCOO)(F)2	C(CCFF)(CFFP)(F)2	P(CCFF)2(O)2	114.3105	1.367	4	114.3105	1.868	4	114.3105	1.868	4	114.3105	1.868	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:2:1:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:O-2:O-1:	C(CHHP)(PCOO)(H)2	C(CHHP)(PCOO)(H)2	P(CCHH)(CH3)(OH)(O)	C(CHHP)(PCOO)(H)2	C(CHHP)(PCOO)(H)2	P(CCHH)(CH3)(OH)(O)	112.2100	0.585	2	112.2100	0.343	2	112.2100	0.343	2	112.2100	0.343	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(PCCH)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(CC3)2(H)	C(CCHH)(PCCH)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(CC3)2(H)	112.0800	0.000	1	112.0800	0.000	1	116.2536	4.637	10	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(PCCH)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)3(H)	C(CCHH)(PCCH)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)3(H)	118.9067	0.568	3	118.9067	0.322	3	116.2536	4.637	10	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CCHH)(PCCH)(H)2	C(CHHP)(CH3)(H)2	P(CCHH)3(H)	C(CCHH)(PCCH)(H)2	C(CHHP)(CH3)(H)2	P(CCHH)3(H)	115.6227	0.183	6	115.6227	0.034	6	116.2536	4.637	10	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C(CCHH)(PCCO)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)3(O)	C(CCHH)(PCCO)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)3(O)	115.6407	3.907	8	115.6407	15.262	8	115.5059	14.394	12	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C(CCHH)(PCCO)(H)2	C(CHHO)(CHHP)(H)2	P(CCHH)3(O)	C(CCHH)(PCCO)(H)2	C(CHHO)(CHHP)(H)2	P(CCHH)3(O)	113.1733	0.014	3	113.1733	0.000	3	115.5059	14.394	12	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C(CCHH)(PCCO)(H)2	C(CHHP)2(H)2	P(CCHH)3(O)	C(CCHH)(PCCO)(H)2	C(CHHP)2(H)2	P(CCHH)3(O)	121.4250	0.000	1	121.4250	0.000	1	115.5059	14.394	12	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C(CHHP)(PCCH)(H)2	C(CHHP)(PCCH)(H)2	P(CCHH)3(H)	C(CHHP)(PCCH)(H)2	C(CHHP)(PCCH)(H)2	P(CCHH)3(H)	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C(CHHP)(PCCO)(H)2	C(CHHP)(PCCO)(H)2	P(CCCH)2(CCHH)(O)	C(CHHP)(PCCO)(H)2	C(CHHP)(PCCO)(H)2	P(CCCH)2(CCHH)(O)	113.0260	0.000	1	113.0260	0.000	1	113.9905	1.861	2	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C(CHHP)(PCCO)(H)2	C(CHHP)(PCCO)(H)2	P(CCHH)(CH3)2(O)	C(CHHP)(PCCO)(H)2	C(CHHP)(PCCO)(H)2	P(CCHH)(CH3)2(O)	114.9550	0.000	1	114.9550	0.000	1	113.9905	1.861	2	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:Br-1:	C(PBrCC)(CHHP)(H)2	C(PBrCC)(CHHP)(H)2	P(CCCH)2(CCHH)(Br)	C(PBrCC)(CHHP)(H)2	C(PBrCC)(CHHP)(H)2	P(CCCH)2(CCHH)(Br)	114.2530	0.000	1	114.2530	0.000	1	114.2530	0.000	1	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:Se-1:	C(PSeCC)(CHHP)(H)2	C(PSeCC)(CHHP)(H)2	P(CCCH)2(CCHH)(Se)	C(PSeCC)(CHHP)(H)2	C(PSeCC)(CHHP)(H)2	P(CCCH)2(CCHH)(Se)	115.2883	1.477	3	115.2883	2.181	3	115.2883	2.181	3	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C(PC[6]2H)(CHHP)(H)2	C(PC[6]2H)(CHHP)(H)2	P(C[6]C[6]2H)2(CCHH)(H)	C(PC[6]2H)(CHHP)(H)2	C(PC[6]2H)(CHHP)(H)2	P(C[6]C[6]2H)2(CCHH)(H)	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:1:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C(PC[6]2O)(CHHP)(H)2	C(PC[6]2O)(CHHP)(H)2	P(C[6]C[6]2H)2(CCHH)(O)	C(PC[6]2O)(CHHP)(H)2	C(PC[6]2O)(CHHP)(H)2	P(C[6]C[6]2H)2(CCHH)(O)	112.9680	0.000	1	112.9680	0.000	1	112.9680	0.000	1	115.3347	7.937	31	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CCHH)(PCCO)(H)2	C(CHHP)(CH3)(H)2	P(CCHH)3(OCa)	C(CCHH)(PCCO)(H)2	C(CHHP)(CH3)(H)2	P(CCHH)3(OCa)	118.4299	3.359	15	118.4299	11.282	15	118.4299	11.282	15	118.0228	13.182	16	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:2:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C(CHHP)(PCCO)(H)2	C(CHHP)(PCCO)(H)2	P(CCHH)(CH3)2(OH)	C(CHHP)(PCCO)(H)2	C(CHHP)(PCCO)(H)2	P(CCHH)(CH3)2(OH)	111.9160	0.000	1	111.9160	0.000	1	111.9160	0.000	1	118.0228	13.182	16	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:3:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)3(CCO)	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)3(CCO)	113.5403	1.113	3	113.5403	1.239	3	113.5403	1.239	3	113.4525	0.857	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:3:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:P-3:	C(CHHP)(PCCP)(H)2	C(CHHP)(PCCW)(H)2	P(CCHH)(CH3)2(PNW)	C(CHHP)(PCCP)(H)2	C(CHHP)(PCCW)(H)2	P(CCHH)(CH3)2(PNW)	113.1890	0.000	1	113.1890	0.000	1	113.1890	0.000	1	113.4525	0.857	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C(CCHH)(PBCC)(H)2	C(CCHH)(CHHP)(H)2	P(BHHP)(CCHH)2(CC3)	C(CCHH)(PBCC)(H)2	C(CCHH)(CHHP)(H)2	P(BHHP)(CCHH)2(CC3)	118.9265	0.641	2	118.9265	0.411	2	118.9265	0.411	2	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:B-4:C-4:	C(CCHH)(PBCC)(H)2	C(CCHH)(CHHP)(H)2	P(CC[6a]HH)(CCHH)(BH3)(CC3)	C(CCHH)(PBCC)(H)2	C(CCHH)(CHHP)(H)2	P(CC[6a]HH)(CCHH)(BH3)(CC3)	113.7555	1.421	2	113.7555	2.018	2	113.7555	2.018	2	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:B-4:	C(CCHH)(PBCC)(H)2	C(CHHP)(CH3)(H)2	P(CSiCH)(CCHH)2(BH3)	C(CCHH)(PBCC)(H)2	C(CHHP)(CH3)(H)2	P(CSiCH)(CCHH)2(BH3)	115.8160	1.430	2	115.8160	2.044	2	115.8160	2.044	2	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(CC3)3	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(CC3)3	120.6270	0.000	1	120.6270	0.000	1	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(CH3)3	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)(CH3)3	113.3610	0.000	1	113.3610	0.000	1	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)3(CH3)	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)3(CH3)	115.5630	1.826	6	115.5630	3.335	6	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)4	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)4	115.3107	1.946	59	115.3107	3.788	59	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CC[6a]CH)(CCHH)3	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CC[6a]CH)(CCHH)3	116.0767	2.151	15	116.0767	4.627	15	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CC[6a]C[5]H)(CCHH)3	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CC[6a]C[5]H)(CCHH)3	114.9270	0.655	3	114.9270	0.429	3	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CC[6a]HH)(CCHH)3	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CC[6a]HH)(CCHH)3	117.5250	3.013	11	117.5250	9.077	11	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CC[6a]HO)(CCHH)3	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CC[6a]HO)(CCHH)3	114.5737	1.491	3	114.5737	2.224	3	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CPtCH)(CCHH)3	C(CCHH)(PC3)(H)2	C(CCHH)(CHHP)(H)2	P(CPtCH)(CCHH)3	114.8450	0.748	3	114.8450	0.559	3	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CFHH)(CHHP)(H)2	P(CCHH)(CC3)3	C(CCHH)(PC3)(H)2	C(CFHH)(CHHP)(H)2	P(CCHH)(CC3)3	122.2340	0.000	1	122.2340	0.000	1	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CHHO)(CHHP)(H)2	P(CCHH)3(CH3)	C(CCHH)(PC3)(H)2	C(CHHO)(CHHP)(H)2	P(CCHH)3(CH3)	114.6800	1.350	4	114.6800	1.822	4	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CHHO)(CHHP)(H)2	P(CCHH)4	C(CCHH)(PC3)(H)2	C(CHHO)(CHHP)(H)2	P(CCHH)4	114.5110	0.000	1	114.5110	0.000	1	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CHHP)(CH3)(H)2	P(CCHH)(CH3)3	C(CCHH)(PC3)(H)2	C(CHHP)(CH3)(H)2	P(CCHH)(CH3)3	114.6260	0.000	1	114.6260	0.000	1	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CHHP)(CH3)(H)2	P(CCHH)4	C(CCHH)(PC3)(H)2	C(CHHP)(CH3)(H)2	P(CCHH)4	114.7620	1.788	2	114.7620	3.195	2	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CHHP)(CHHS)(H)2	P(CCHH)4	C(CCHH)(PC3)(H)2	C(CHHP)(CHHS)(H)2	P(CCHH)4	112.8030	0.000	1	112.8030	0.000	1	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CCHH)(PC3)(H)2	C(CHHP)2(H)2	P(CC[6a]HH)(CCHH)3	C(CCHH)(PC3)(H)2	C(CHHP)2(H)2	P(CC[6a]HH)(CCHH)3	116.0510	0.000	1	116.0510	0.000	1	115.6295	4.924	113	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHN)(PC3)(H)2	C(CHHP)(NH3)(H)2	P(CCHH)(CH3)3	C(CHHN)(PC3)(H)2	C(CHHP)(NH3)(H)2	P(CCHH)(CH3)3	114.3305	0.565	2	114.3305	0.319	2	114.3305	0.319	2	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(BBr3)(CCHH)3	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(BBr3)(CCHH)3	114.1640	0.000	1	114.1640	0.000	1	113.8880	0.152	2	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	B-4:C-4:C-4:C-4:	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(BCl3)(CCHH)3	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(BCl3)(CCHH)3	113.6120	0.000	1	113.6120	0.000	1	113.8880	0.152	2	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:B-4:C-4:	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(CCHH)2(BH3)(CC3)	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(CCHH)2(BH3)(CC3)	113.5440	0.661	6	113.5440	0.437	6	113.5440	0.437	6	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:B-4:	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(CCHH)(CHHO)2(BH3)	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(CCHH)(CHHO)2(BH3)	112.0790	0.000	1	112.0790	0.000	1	113.8575	2.087	6	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:B-4:	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(CCHH)3(BF3)	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(CCHH)3(BF3)	111.9280	0.000	1	111.9280	0.000	1	113.8575	2.087	6	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:B-4:	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(CCHH)3(BI3)	C(CHHP)(PBCC)(H)2	C(CHHP)(PBCC)(H)2	P(CCHH)3(BI3)	114.7845	0.192	4	114.7845	0.037	4	113.8575	2.087	6	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHP)(PC3)(H)2	C(CHHP)(PC3)(H)2	P(CCHH)(CHHO)3	C(CHHP)(PC3)(H)2	C(CHHP)(PC3)(H)2	P(CCHH)(CHHO)3	112.6300	0.000	1	112.6300	0.000	1	113.1107	2.334	3	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHP)(PC3)(H)2	C(CHHP)(PC3)(H)2	P(CCHH)3(CH3)	C(CHHP)(PC3)(H)2	C(CHHP)(PC3)(H)2	P(CCHH)3(CH3)	113.3510	2.079	2	113.3510	4.322	2	113.1107	2.334	3	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CC[5]HH)(PC3)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	P(CCHH)4	C(CC[5]HH)(PC3)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	P(CCHH)4	112.2693	0.802	3	112.2693	0.643	3	112.2693	0.643	3	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	N[4]-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:B-4:	C(CN[4]HH)(PC[6]2B)(H)2	C(N[4]B[4]2C)(CHHP)(H)2	P(C[6]C[6]2H)2(CCHH)(BH3)	C(CN[4]HH)(PC[6]2B)(H)2	C(N[4]B[4]2C)(CHHP)(H)2	P(C[6]C[6]2H)2(CCHH)(BH3)	113.0975	0.118	2	113.0975	0.014	2	113.0975	0.014	2	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CHHP)(PC3)(H)2	C(PNiCC)(CHHP)(H)2	P(CC[6a]NiH)(CCHH)(CC3)2	C(CHHP)(PC3)(H)2	C(PNiCC)(CHHP)(H)2	P(CC[6a]NiH)(CCHH)(CC3)2	118.6400	0.000	1	118.6400	0.000	1	118.6400	0.000	1	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[4]-4:C-4:C-4:C-4:	C(PC[4]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[4]C[6a]C[4]2)(CCHH)3	C(PC[4]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[4]C[6a]C[4]2)(CCHH)3	114.5080	1.745	3	114.5080	3.047	3	114.5080	3.047	3	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[5]C[5]2Fe)(CCHH)3	C(PC[5]CC)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[5]C[5]2Fe)(CCHH)3	115.3310	1.275	3	115.3310	1.625	3	115.3310	1.625	3	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C-4:	C(PC[6]3)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6]C[6]2H)3(CCHH)	C(PC[6]3)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6]C[6]2H)3(CCHH)	117.1767	2.857	3	117.1767	8.161	3	117.1767	8.161	3	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:Ga-4:	C(PGaCC)(CHHP)(H)2	C(PGaCC)(CHHP)(H)2	P(CCHH)3(GaI3)	C(PGaCC)(CHHP)(H)2	C(PGaCC)(CHHP)(H)2	P(CCHH)3(GaI3)	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:C-4:	C(PC[6]2B)(CHHP)(H)2	C(PC[6]2B)(CHHP)(H)2	P(C[6]C[6]2H)2(BBr2H)(CCHH)	C(PC[6]2B)(CHHP)(H)2	C(PC[6]2B)(CHHP)(H)2	P(C[6]C[6]2H)2(BBr2H)(CCHH)	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CHHP)(H)2	C(PGaCC)(CHHP)(H)2	P(GaBr3)(CCHH)3	C(PGaCC)(CHHP)(H)2	C(PGaCC)(CHHP)(H)2	P(GaBr3)(CCHH)3	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	115.2939	4.975	156	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	7:4:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	Nb[5]-7:C-4:C-4:C-4:	C(PNb[5]CC)(CHHP)(H)2	C(PNb[5]CC)(CHHP)(H)2	P(Nb[5]P[5]2Cl3O)(CCHH)(CH3)2	C(PNb[5]CC)(CHHP)(H)2	C(PNb[5]CC)(CHHP)(H)2	P(Nb[5]P[5]2Cl3O)(CCHH)(CH3)2	115.6840	0.000	1	115.6840	0.000	1	113.9620	5.931	2	113.9620	5.931	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:1:1:	7:4:4:4:	P-4:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	Nb[5]-7:C-4:C-4:C-4:	C(PNb[5]CC)(CHHP)(H)2	C(PNb[5]CC)(CHHP)(H)2	P(Nb[5]P[5]2Cl3O)(CCHH)3	C(PNb[5]CC)(CHHP)(H)2	C(PNb[5]CC)(CHHP)(H)2	P(Nb[5]P[5]2Cl3O)(CCHH)3	112.2400	0.000	1	112.2400	0.000	1	113.9620	5.931	2	113.9620	5.931	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:2:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHO)(H)2	C(CCHH)(CHHP)(OH)(H)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCHO)(H)2	C(CCHH)(CHHP)(OH)(H)	P(C[6a]C[6a]2)2(CCHH)(O)	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:2:1:	4:4:4:1:	C-4:P-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:S-1:	C(CCHO)(PCCS)(H)2	C(CHHP)(CC3)(OH)(H)	P(CCHH)(CC3)(CH3)(S)	C(CCHO)(PCCS)(H)2	C(CHHP)(CC3)(OH)(H)	P(CCHH)(CC3)(CH3)(S)	113.9345	0.419	2	113.9345	0.176	2	113.9345	0.176	2	113.9345	0.176	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:3:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCCH)(H)2	C(CHHP)(CH3)(COO)(H)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCCH)(H)2	C(CHHP)(CH3)(COO)(H)	P(C[6a]C[6a]2)3(CCHH)	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:3:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCCH)(H)2	C(CC[6a]2N)(CHHP)(COO)(H)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCCH)(H)2	C(CC[6a]2N)(CHHP)(COO)(H)	P(C[6a]C[6a]2)2(CCHH)(O)	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:3:1:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(CCHN)(H)2	C(CHHP)(CC3)(NCH)(H)	P(C[6a]C[6a]2)2(CCHH)(BH3)	C(PC[6a]2B)(CCHN)(H)2	C(CHHP)(CC3)(NCH)(H)	P(C[6a]C[6a]2)2(CCHH)(BH3)	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:3:1:	4:1:1:1:	C-4:P-4:H-1:H-1:	C-4:N-4:C-3:H-1:	C-4:H-1:O-1:O-1:	C(CCHN)(PHOO)(H)2	C(CHHP)(NH3)(COO)(H)	P(CCHH)(H)(O)2	C(CCHN)(PHOO)(H)2	C(CHHP)(NH3)(COO)(H)	P(CCHH)(H)(O)2	115.8130	0.000	1	115.8130	0.000	1	115.8130	0.000	1	115.8130	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:3:1:	4:2:2:1:	C-4:P-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:O-2:O-2:O-1:	C(CCHN)(PO3)(H)2	C(CHHP)(CF3)(NHS)(H)	P(CCHH)(OC)2(O)	C(CCHN)(PO3)(H)2	C(CHHP)(CF3)(NHS)(H)	P(CCHH)(OC)2(O)	114.8430	0.000	1	114.8430	0.000	1	114.8430	0.000	1	114.8430	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:3:1:	4:4:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:N-3:H-1:	C[6]-4:C-4:C-4:B-4:	C(PC[6]BC)(CCHN)(H)2	C(CHHP)(CC3)(NHS)(H)	P(C[6]C[6]2H)(CCHH)2(BH3)	C(PC[6]BC)(CCHN)(H)2	C(CHHP)(CC3)(NHS)(H)	P(C[6]C[6]2H)(CCHH)2(BH3)	120.6835	2.466	2	120.6835	6.080	2	120.6835	6.080	2	120.6835	6.080	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:1:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCCH)(H)2	C(CHHP)(CH3)2(H)	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CCCH)(H)2	C(CHHP)(CH3)2(H)	P(C[6a]C[6a]2)3(CCHH)	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:N-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHN)(H)2	C(CHHP)(CC3)(NH3)(H)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CCHN)(H)2	C(CHHP)(CC3)(NH3)(H)	P(C[6a]C[6a]2)2(CCHH)(O)	114.5120	0.000	1	114.5120	0.000	1	114.5120	0.000	1	113.5098	1.071	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:1:	3:3:4:1:	P-4:C-4:H-1:H-1:	P-4:P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CHPP)(H)2	C(PC[6a]2O)2(CHHP)(H)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CHPP)(H)2	C(PC[6a]2O)2(CHHP)(H)	P(C[6a]C[6a]2)2(CCHH)(O)	113.2593	1.005	4	113.2593	1.010	4	113.2593	1.010	4	113.5098	1.071	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:1:	4:2:1:1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:O-2:O-1:O-1:	C(CCCH)(PO3)(H)2	C(CCHH)(CCHN)(CHHP)(H)	P(CCHH)(OH)(O)2	C(CCCH)(PO3)(H)2	C(CCHH)(CCHN)(CHHP)(H)	P(CCHH)(OH)(O)2	116.3970	0.082	2	116.3970	0.007	2	116.3970	0.007	2	116.3970	0.007	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:1:	4:2:2:1:	C-4:P-4:F-1:H-1:	C-4:C-4:N-4:H-1:	C-4:O-2:O-2:O-1:	C(CCHN)(PO3)(F)(H)	C(CCHH)(CFHP)(NH3)(H)	P(CCFH)(OC)2(O)	C(CCHN)(PO3)(F)(H)	C(CCHH)(CFHP)(NH3)(H)	P(CCFH)(OC)2(O)	113.5120	0.000	1	113.5120	0.000	1	113.5120	0.000	1	113.5120	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:1:	4:4:1:1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:S-1:S-1:	C(CCCH)(PCSS)(H)2	C(CCHH)(CHHP)(CH3)(H)	P(CCHH)2(S)2	C(CCCH)(PCSS)(H)2	C(CCHH)(CHHP)(CH3)(H)	P(CCHH)2(S)2	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:1:	4:4:2:1:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:S-2:S-1:	C(CCCH)(PCSS)(H)2	C(CCHH)(CHHP)(CH3)(H)	P(CCHH)2(SH)(S)	C(CCCH)(PCSS)(H)2	C(CCHH)(CHHP)(CH3)(H)	P(CCHH)2(SH)(S)	117.2285	0.628	4	117.2285	0.395	4	117.2285	0.395	4	117.2285	0.395	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:1:	4:4:2:2:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:S-2:S-2:	C(CCCH)(PCSS)(H)2	C(CHHP)(CH3)2(H)	P(CCHH)2(SBi)2	C(CCCH)(PCSS)(H)2	C(CHHP)(CH3)2(H)	P(CCHH)2(SBi)2	117.2398	1.448	6	117.2398	2.096	6	117.2398	2.096	6	117.2398	2.096	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C(CCCH)(PC3)(H)2	C(CHHP)(CH3)2(H)	P(CCHH)3(CH3)	C(CCCH)(PC3)(H)2	C(CHHP)(CH3)2(H)	P(CCHH)3(CH3)	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	118.5610	0.001	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:1:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C-4:C-4:C-4:C-4:	C(CCCO)(PC3)(H)2	C(CHHP)(CF3)2(O)	P(CCHH)(CC3)2(CH3)	C(CCCO)(PC3)(H)2	C(CHHP)(CF3)2(O)	P(CCHH)(CC3)2(CH3)	118.5860	0.000	1	118.5860	0.000	1	118.5860	0.000	1	118.5610	0.001	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:2:	4:3:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:N-3:C-4:C-4:	C(CCCO)(PCCN)(H)2	C(CHHP)(CF3)2(OSn)	P(CCHH)(NSnN)(CC3)2	C(CCCO)(PCCN)(H)2	C(CHHP)(CF3)2(OSn)	P(CCHH)(NSnN)(CC3)2	119.4350	0.000	1	119.4350	0.000	1	119.4350	0.000	1	119.4350	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:2:	4:4:4:2:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:S-2:	C(CCCO)(PCCS)(H)2	C(CHHP)(CF3)2(OSn)	P(CCHH)(CC3)2(SSn)	C(CCCO)(PCCS)(H)2	C(CHHP)(CF3)2(OSn)	P(CCHH)(CC3)2(SSn)	120.9900	0.366	2	120.9900	0.134	2	120.9900	0.134	2	120.9900	0.134	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:2:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:C-4:	C(CCCO)(PC3)(H)2	C(CHHP)(CF3)2(OH)	P(CCHH)(CC3)2(CH3)	C(CCCO)(PC3)(H)2	C(CHHP)(CF3)2(OH)	P(CCHH)(CC3)2(CH3)	120.6860	0.249	2	120.6860	0.062	2	120.6860	0.062	2	119.6487	3.259	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:2:	4:4:4:4:	C-4:P-4:H-1:H-1:	C-4:P-4:P-4:O-2:	C-4:C-4:C-4:C-4:	C(COPP)(PC3)(H)2	C(CHHP)(PO3)2(OH)	P(CCHH)(CH3)3	C(COPP)(PC3)(H)2	C(CHHP)(PO3)2(OH)	P(CCHH)(CH3)3	117.5740	0.000	1	117.5740	0.000	1	117.5740	0.000	1	119.6487	3.259	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:4:	3:3:3:4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CC3)(H)2	C(CHHP)2(CH3)2	P(C[6a]C[6a]2)3(CCHH)	C(PC[6a]3)(CC3)(H)2	C(CHHP)2(CH3)2	P(C[6a]C[6a]2)3(CCHH)	123.1125	0.098	2	123.1125	0.010	2	123.1125	0.010	2	123.1125	0.010	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:Cl-1:	C(PC[6a]2Cl)(CC3)(H)2	C(CHHP)3(CH3)	P(C[6a]C[6a]2)2(CCHH)(Cl)	C(PC[6a]2Cl)(CC3)(H)2	C(CHHP)3(CH3)	P(C[6a]C[6a]2)2(CCHH)(Cl)	121.1060	0.000	1	121.1060	0.000	1	121.1060	0.000	1	119.0595	3.206	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC3)(H)2	C(CCHH)(CHHP)3	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CC3)(H)2	C(CCHH)(CHHP)3	P(C[6a]C[6a]2)2(CCHH)(O)	119.7187	2.125	3	119.7187	4.517	3	118.7671	2.942	7	119.0595	3.206	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC3)(H)2	C(CHHP)(CH3)3	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CC3)(H)2	C(CHHP)(CH3)3	P(C[6a]C[6a]2)2(CCHH)(O)	119.6680	0.000	1	119.6680	0.000	1	118.7671	2.942	7	119.0595	3.206	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:4:	3:3:4:1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC3)(H)2	C(CHHP)3(CH3)	P(C[6a]C[6a]2)2(CCHH)(O)	C(PC[6a]2O)(CC3)(H)2	C(CHHP)3(CH3)	P(C[6a]C[6a]2)2(CCHH)(O)	117.5153	0.441	3	117.5153	0.195	3	118.7671	2.942	7	119.0595	3.206	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:1:1:	4:4:4:4:	3:3:4:4:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CC3)(H)2	C(CHHP)3(CH3)	P(C[6a]C[6a]2)2(CCHH)(CH3)	C(PC[6a]2C)(CC3)(H)2	C(CHHP)3(CH3)	P(C[6a]C[6a]2)2(CCHH)(CH3)	122.8123	2.152	3	122.8123	4.633	3	122.8123	4.633	3	122.8123	4.633	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	2:4:1:1:	4:4:4:1:	C-4:P-4:O-2:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:C-4:O-1:	C(CHHS)(PCCO)(OH)(H)	C(SC[6a])(CHOP)(H)2	P(CCHH)2(CCHO)(O)	C(CHHS)(PCCO)(OH)(H)	C(SC[6a])(CHOP)(H)2	P(CCHH)2(CCHO)(O)	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	2:4:4:1:	4:2:2:1:	C-4:P-4:O-2:H-1:	S-2:C-4:C-4:H-1:	C-4:O-2:O-2:O-1:	C(CCHS)(PO3)(OH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	P(CCHO)(OC)2(O)	C(CCHS)(PO3)(OH)(H)	C(SC[6a])(CCHN)(CHOP)(H)	P(CCHO)(OC)2(O)	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	113.0280	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	3:4:2:1:	4:2:2:1:	C-4:P-4:O-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	C(CC[6a]HO)(PO3)(OC)(H)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	P(CCHO)(OC)2(O)	C(CC[6a]HO)(PO3)(OC)(H)	C(C[6a]C[6a]2)(CHOP)(OH)(H)	P(CCHO)(OC)2(O)	112.2930	1.451	2	112.2930	2.105	2	112.2930	2.105	2	112.2930	2.105	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	3:4:4:1:	4:2:2:1:	C-4:P-4:O-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:O-2:O-2:O-1:	C(CC[6a]CH)(PO3)(OH)(H)	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	P(CCHO)(OC)2(O)	C(CC[6a]CH)(PO3)(OH)(H)	C(C[6a]C[6a]2)(CHOP)(CH3)(H)	P(CCHO)(OC)2(O)	112.7770	0.000	1	112.7770	0.000	1	112.7770	0.000	1	112.7770	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	4:1:1:1:	4:2:1:1:	C-4:P-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CH3)(PO3)(OC)(H)	C(CHOP)(H)3	P(CCHO)(OC)(O)2	C(CH3)(PO3)(OC)(H)	C(CHOP)(H)3	P(CCHO)(OC)(O)2	112.3660	0.000	1	112.3660	0.000	1	112.3660	0.000	1	112.3660	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	4:1:1:1:	4:2:2:1:	C-4:P-4:N-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:O-2:O-2:O-1:	C(CCl3)(PO3)(NC)(H)	C(CHNP)(Cl)3	P(CCHN)(OC)2(O)	C(CCl3)(PO3)(NC)(H)	C(CHNP)(Cl)3	P(CCHN)(OC)2(O)	116.8720	0.000	1	116.8720	0.000	1	116.8720	0.000	1	115.0600	6.567	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	4:1:1:1:	4:2:2:1:	C-4:P-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)(OC)(H)	C(CHOP)(H)3	P(CCHO)(OC)2(O)	C(CH3)(PO3)(OC)(H)	C(CHOP)(H)3	P(CCHO)(OC)2(O)	113.2480	0.000	1	113.2480	0.000	1	113.2480	0.000	1	115.0600	6.567	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:O-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)(OC)(H)	C(CHOP)(H)3	P(CCHO)(CC3)2(H)	C(PCCH)(CH3)(OC)(H)	C(CHOP)(H)3	P(CCHO)(CC3)2(H)	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(OH)(H)	C(CCHH)(CHOP)(H)2	P(C[6a]C[6a]2)2(CCHO)(O)	C(PC[6a]2O)(CCHH)(OH)(H)	C(CCHH)(CHOP)(H)2	P(C[6a]C[6a]2)2(CCHO)(O)	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	4:4:1:1:	3:4:2:1:	P-4:C-4:O-2:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(CCHH)(OP)(H)	C(CCCH)(CHOP)(H)2	P(C[6a]C[6a]2)(CCHO)(OC)(O)	C(PC[6a]OO)(CCHH)(OP)(H)	C(CCCH)(CHOP)(H)2	P(C[6a]C[6a]2)(CCHO)(OC)(O)	115.1450	0.000	1	115.1450	0.000	1	115.1450	0.000	1	115.1450	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	4:4:2:1:	4:2:2:1:	C-4:P-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OC)(H)	P(CCHO)(OC)2(O)	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OC)(H)	P(CCHO)(OC)2(O)	114.0130	2.951	2	114.0130	8.711	2	114.8107	6.264	3	114.8107	6.264	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	4:4:2:1:	4:2:2:1:	C-4:P-4:O-2:H-1:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OS)(H)	P(CCHO)(OC)2(O)	C(CCHO)(PO3)(OH)(H)	C(CCHO)(CHOP)(OS)(H)	P(CCHO)(OC)2(O)	116.4060	0.000	1	116.4060	0.000	1	114.8107	6.264	3	114.8107	6.264	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	4:4:3:1:	4:2:2:1:	C-4:P-4:O-2:H-1:	C-4:C-4:N-3:H-1:	C-4:O-2:O-2:O-1:	C(CCHN)(PO3)(OH)(H)	C(CC[6a]HH)(CHOP)(NCC)(H)	P(CCHO)(OC)2(O)	C(CCHN)(PO3)(OH)(H)	C(CC[6a]HH)(CHOP)(NCC)(H)	P(CCHO)(OC)2(O)	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:1:	4:4:4:1:	3:4:2:1:	P-4:C-4:O-2:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C-4:O-2:O-1:	C(PC[6a]OO)(CCCH)(OH)(H)	C(CHOP)(CH3)2(H)	P(C[6a]C[6a]2)(CCHO)(OC)(O)	C(PC[6a]OO)(CCCH)(OH)(H)	C(CHOP)(CH3)2(H)	P(C[6a]C[6a]2)(CCHO)(OC)(O)	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:2:2:	4:1:1:1:	4:2:2:1:	C-4:P-4:C-2:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)(CC)(OH)	C(CCOP)(H)3	P(CCCO)(OC)2(O)	C(CH3)(PO3)(CC)(OH)	C(CCOP)(H)3	P(CCCO)(OC)2(O)	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	111.7970	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	3:4:1:1:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(CCH)(H)	C(CC[6a]O)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCHH)(CCH)(H)	C(CC[6a]O)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)(O)	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	111.3240	4.283	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	3:4:1:1:	3:3:4:1:	P-4:C-4:C-3:H-1:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	C(C[6]C[6]N[6])(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	C(C[6]C[6]N[6])(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)(O)	111.8305	2.651	2	111.8305	7.028	2	111.8305	7.028	2	111.3240	4.283	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	3:4:1:1:	4:4:2:1:	C-4:P-4:N-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:O-2:O-1:	C(CC[6a]HH)(PCOO)(NHS)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	P(CCHH)(CCHN)(OC)(O)	C(CC[6a]HH)(PCOO)(NHS)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	P(CCHH)(CCHN)(OC)(O)	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	2:2:4:1:	C-4:P-4:N-3:H-1:	C-4:H-1:H-1:H-1:	O-2:O-2:C-4:O-1:	C(CH3)(PO3)(NCH)(H)	C(CHNP)(H)3	P(OC[6a])2(CCHN)(O)	C(CH3)(PO3)(NCH)(H)	C(CHNP)(H)3	P(OC[6a])2(CCHN)(O)	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CH3)(CCO)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CH3)(CCO)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)(O)	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)(CCH)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)(CC3)(O)	C(PC[6a]CO)(CH3)(CCH)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)(CC3)(O)	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:1:1:1:	P-4:C-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:H-1:O-1:O-1:	C(PHOO)(CH3)(NCC)(H)	C(CHNP)(H)3	P(CCHN)(H)(O)2	C(PHOO)(CH3)(NCC)(H)	C(CHNP)(H)3	P(CCHN)(H)(O)2	112.4275	0.187	2	112.4275	0.035	2	112.4275	0.035	2	112.4275	0.035	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:2:2:1:	C-4:P-4:N-3:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)(NCH)(H)	C(CHNP)(H)3	P(CCHN)(OC)2(O)	C(CH3)(PO3)(NCH)(H)	C(CHNP)(H)3	P(CCHN)(OC)2(O)	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:3:1:1:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(CNO)(H)	C(CCHP)(CNO)(H)2	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCHH)(CNO)(H)	C(CCHP)(CNO)(H)2	P(C[6a]C[6a]2)2(CCCH)(O)	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:3:3:1:	3:3:4:1:	P-4:C-4:C-3:H-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCCH)(CCH)(H)	C(CCHP)(COO)2(H)	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCCH)(CCH)(H)	C(CCHP)(COO)2(H)	P(C[6a]C[6a]2)2(CCCH)(O)	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:4:1:1:	2:2:4:1:	C-4:P-4:N-3:H-1:	C-4:C-4:H-1:H-1:	O-2:O-2:C-4:O-1:	C(CCHH)(PO3)(NCH)(H)	C(CC[6a]HH)(CHNP)(H)2	P(OC[6a])2(CCHN)(O)	C(CCHH)(PO3)(NCH)(H)	C(CC[6a]HH)(CHNP)(H)2	P(OC[6a])2(CCHN)(O)	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:4:1:1:	3:4:2:1:	P-4:C-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:O-2:O-1:	C(PC[6]OO)(CCHH)(NHS)(H)	C(CCCH)(CHNP)(H)2	P(C[6]C[6]2)(CCHN)(OC)(O)	C(PC[6]OO)(CCHH)(NHS)(H)	C(CCCH)(CHNP)(H)2	P(C[6]C[6]2)(CCHN)(OC)(O)	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:4:1:1:	4:4:2:1:	C-4:P-4:N-3:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:O-2:O-1:	C(CCHH)(PCOO)(NCH)(H)	C(CCCH)(CHNP)(H)2	P(CCHN)(CHHO)(OC)(O)	C(CCHH)(PCOO)(NCH)(H)	C(CCCH)(CHNP)(H)2	P(CCHN)(CHHO)(OC)(O)	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:4:4:1:	2:2:4:1:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:H-1:	O-2:O-2:C-4:O-1:	C(CCCH)(PO3)(NCH)(H)	C(CHNP)(CH3)2(H)	P(OC[6a])2(CCHN)(O)	C(CCCH)(PO3)(NCH)(H)	C(CHNP)(CH3)2(H)	P(OC[6a])2(CCHN)(O)	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:4:4:1:	3:3:3:4:	P-4:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CCCH)(COO)(H)	C(CPtCH)(CCHH)(CCHP)(H)	P(C[6a]C[6a]2)3(CCCH)	C(PC[6a]3)(CCCH)(COO)(H)	C(CPtCH)(CCHH)(CCHP)(H)	P(C[6a]C[6a]2)3(CCCH)	114.4080	0.000	1	114.4080	0.000	1	114.4080	0.000	1	114.4080	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:4:4:4:	2:2:4:1:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:C-4:	O-2:O-2:C-4:O-1:	C(CC3)(PO3)(NCH)(H)	C(CHNP)(CH3)3	P(OC[6a])2(CCHN)(O)	C(CC3)(PO3)(NCH)(H)	C(CHNP)(CH3)3	P(OC[6a])2(CCHN)(O)	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:4:4:4:	4:2:2:1:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:O-2:O-2:O-1:	C(CC3)(PO3)(NCO)(H)	C(CHNP)(CH3)3	P(CCHN)(OC)2(O)	C(CC3)(PO3)(NCO)(H)	C(CHNP)(CH3)3	P(CCHN)(OC)2(O)	113.2113	0.805	16	113.2113	0.648	16	113.2113	0.648	16	113.2113	0.648	16	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:4:4:4:	4:2:2:2:	C-4:P-4:N-3:H-1:	C-4:C-4:C-4:C-4:	C-4:O-2:O-2:O-2:	C(CC3)(PO3)(NCO)(H)	C(CHNP)(CH3)3	P(CCHN)(OZn)(OC)2	C(CC3)(PO3)(NCO)(H)	C(CHNP)(CH3)3	P(CCHN)(OZn)(OC)2	114.3440	0.622	2	114.3440	0.387	2	114.3440	0.387	2	114.3440	0.387	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:2:	4:1:1:1:	4:2:2:1:	C-4:P-4:N-3:C-2:	C-4:F-1:F-1:F-1:	C-4:O-2:O-2:O-1:	C(CF3)(PO3)(NCH)(CC)	C(CCNP)(F)3	P(CCCN)(OC)2(O)	C(CF3)(PO3)(NCH)(CC)	C(CCNP)(F)3	P(CCCN)(OC)2(O)	109.8800	0.345	2	109.8800	0.119	2	109.8800	0.119	2	109.8800	0.119	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:2:	4:1:1:1:	4:4:1:1:	P-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(PCOO)(CH3)(CNO)(OH)	C(CCOP)(H)3	P(CCCO)2(O)2	C(PCOO)(CH3)(CNO)(OH)	C(CCOP)(H)3	P(CCCO)2(O)2	113.5070	0.000	1	113.5070	0.000	1	114.7635	3.158	2	114.7635	3.158	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:2:	4:1:1:1:	4:4:1:1:	P-4:C-4:C-3:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(PCOO)(CH3)(COO)(OH)	C(CCOP)(H)3	P(CCCO)2(O)2	C(PCOO)(CH3)(COO)(OH)	C(CCOP)(H)3	P(CCCO)2(O)2	116.0200	0.000	1	116.0200	0.000	1	114.7635	3.158	2	114.7635	3.158	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:3:3:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-3:C-3:	C-4:H-1:H-1:H-1:	C-4:B-4:C-4:Cl-1:	C(PClBC)(CH3)(CHH)2	C(CCCP)(H)3	P(CC[6a]HH)(BH3)(CC3)(Cl)	C(PClBC)(CH3)(CHH)2	C(CCCP)(H)3	P(CC[6a]HH)(BH3)(CC3)(Cl)	105.4260	0.000	1	105.4260	0.000	1	105.4260	0.000	1	105.4260	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:1:1:	2:2:4:1:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	O-2:O-2:C-4:Se-1:	C(CC[6a]HH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	P(OC[6a])2(CCCH)(Se)	C(CC[6a]HH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(H)2	P(OC[6a])2(CCCH)(Se)	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:1:1:	3:3:4:1:	B-4:P-4:C-4:H-1:	B-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	C(BC[6a]2)(CBHP)(H)2	P(C[6a]C[6a]2)2(CBCH)(H)	C(BC[6a]2H)(PC[6a]2H)(CBHH)(H)	C(BC[6a]2)(CBHP)(H)2	P(C[6a]C[6a]2)2(CBCH)(H)	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:1:1:	4:1:1:1:	C-4:N-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:H-1:O-1:O-1:	C(CC[6a]HH)(NCCH)(PHOO)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	P(CCHN)(H)(O)2	C(CC[6a]HH)(NCCH)(PHOO)(H)	C(C[6a]C[6a]2)(CHNP)(H)2	P(CCHN)(H)(O)2	114.2720	0.000	1	114.2720	0.000	1	114.2720	0.000	1	114.2720	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:C-4:P-4:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CC[6]HH)(CCHH)(PO3)(H)	C(C[6]C[6]2)(CCHP)(H)2	P(CCCH)(OH)(O)2	C(CC[6]HH)(CCHH)(PO3)(H)	C(C[6]C[6]2)(CCHP)(H)2	P(CCCH)(OH)(O)2	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	110.9427	6.474	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:P-4:P-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CC[5]HH)(PO3)2(H)	C(C[5]N[5]S[5])(CHPP)(H)2	P(CCHP)(OH)(O)2	C(CC[5]HH)(PO3)2(H)	C(C[5]N[5]S[5])(CHPP)(H)2	P(CCHP)(OH)(O)2	113.6470	0.000	1	113.6470	0.000	1	113.6470	0.000	1	110.9427	6.474	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:1:1:	4:2:1:1:	C-4:P-4:P-4:H-1:	N-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CHHN)(PO3)2(H)	C(NC[6]H)(CHPP)(H)2	P(CCHP)(OH)(O)2	C(CHHN)(PO3)2(H)	C(NC[6]H)(CHPP)(H)2	P(CCHP)(OH)(O)2	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	110.9427	6.474	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[5]HH)(PO3)2(H)	C(C[5]N[5]S[5])(CHPP)(H)2	P(CCHP)(OH)2(O)	C(CC[5]HH)(PO3)2(H)	C(C[5]N[5]S[5])(CHPP)(H)2	P(CCHP)(OH)2(O)	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	111.7048	1.825	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[6a]HH)(PO3)2(H)	C(C[6a]C[6a]2)(CHPP)(H)2	P(CCHP)(OC)2(O)	C(CC[6a]HH)(PO3)2(H)	C(C[6a]C[6a]2)(CHPP)(H)2	P(CCHP)(OC)2(O)	111.8410	1.136	2	111.8410	1.290	2	111.8410	1.290	2	111.7048	1.825	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:H-1:	N-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CHHN)(PO3)2(H)	C(NC[6]H)(CHPP)(H)2	P(CCHP)(OH)2(O)	C(CHHN)(PO3)2(H)	C(NC[6]H)(CHPP)(H)2	P(CCHP)(OH)2(O)	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	111.7048	1.825	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:2:1:	3:3:4:4:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:B-4:	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	P(C[6a]C[6a]2)2(CCCH)(BH3)	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	P(C[6a]C[6a]2)2(CCCH)(BH3)	111.3260	0.129	3	111.3260	0.017	3	111.3260	0.017	3	111.3260	0.017	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:2:1:	4:4:1:1:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C-4:H-1:O-1:	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	P(C[6]C[6]2H)(CCCH)(H)(O)	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(C[6a]C[6a]2)(CCHP)(OH)(H)	P(C[6]C[6]2H)(CCCH)(H)(O)	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:3:1:	3:3:4:1:	C[6]-4:C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	P(C[6a]C[6a]2)2(CC[6]CH)(O)	C(C[6]C[6]2O)(CC[6a]HN)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6]HP)(NCH)(H)	P(C[6a]C[6a]2)2(CC[6]CH)(O)	110.7110	0.000	1	110.7110	0.000	1	110.7110	0.000	1	110.7110	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:3:1:	4:2:2:1:	C-4:C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:O-2:O-2:O-1:	C(CC[6a]HN)(CH3)(PO3)(H)	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	P(CCCH)(OC)2(O)	C(CC[6a]HN)(CH3)(PO3)(H)	C(C[6a]C[6a]2)(CCHP)(NHS)(H)	P(CCCH)(OC)2(O)	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	3:4:4:1:	2:2:4:1:	C-4:P-4:C-4:H-1:	C[6a]-3:C-4:C-4:H-1:	O-2:O-2:C-4:Se-1:	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	P(OC[6a])2(CCCH)(Se)	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(C[6a]C[6a]2)(CCHP)(CH3)(H)	P(OC[6a])2(CCCH)(Se)	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	2:2:4:1:	C-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-2:O-2:C-4:Se-1:	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(CCHP)(H)3	P(OC[6a])2(CCCH)(Se)	C(CC[6a]CH)(PSeOO)(CH3)(H)	C(CCHP)(H)3	P(OC[6a])2(CCCH)(Se)	111.1020	0.000	1	111.1020	0.000	1	109.4810	5.255	2	109.2140	2.842	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	2:2:4:1:	C-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-2:O-2:C-4:Se-1:	C(CC[6a]HH)(PSeOO)(CH3)(H)	C(CCHP)(H)3	P(OC[6a])2(CCCH)(Se)	C(CC[6a]HH)(PSeOO)(CH3)(H)	C(CCHP)(H)3	P(OC[6a])2(CCCH)(Se)	107.8600	0.000	1	107.8600	0.000	1	109.4810	5.255	2	109.2140	2.842	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	2:2:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	O-2:O-2:C-4:Se-1:	C(PSeOO)(CCHH)(CH3)(H)	C(CCHP)(H)3	P(OC[6a])2(CCCH)(Se)	C(PSeOO)(CCHH)(CH3)(H)	C(CCHP)(H)3	P(OC[6a])2(CCCH)(Se)	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	109.2140	2.842	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	2:2:4:3:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-2:N-2:C-4:C-3:	C(PCNN)(CH3)2(H)	C(CCHP)(H)3	P(NC[5])2(CCCH)(COO)	C(PCNN)(CH3)2(H)	C(CCHP)(H)3	P(NC[5])2(CCCH)(COO)	111.5760	0.021	2	111.5760	0.000	2	111.5760	0.000	2	111.5760	0.000	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	2:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:S-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6])(CCCH)2(SFe)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6])(CCCH)2(SFe)	111.2302	1.121	4	111.2302	1.257	4	111.2302	1.257	4	111.2302	1.257	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	2:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:S-4:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[5])(CCCH)2(SO3)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[5])(CCCH)2(SO3)	111.2887	1.166	4	111.2887	1.359	4	111.2887	1.359	4	111.2887	1.359	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:2:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:O-1:	C(PC[6a]OO)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(OC[6])(CCCH)(O)	C(PC[6a]OO)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(OC[6])(CCCH)(O)	110.0470	0.484	2	110.0470	0.234	2	110.0470	0.234	2	110.0470	0.234	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:2:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N-2:C-4:C-4:	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(NC[6])(CCCH)2	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(NC[6])(CCCH)2	112.2657	0.747	4	112.2657	0.557	4	112.1108	2.242	16	111.9847	3.707	44	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:2:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N-2:C-4:C-4:	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(NC[6a])(CCCH)2	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(NC[6a])(CCCH)2	112.0592	1.701	12	112.0592	2.893	12	112.1108	2.242	16	111.9847	3.707	44	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:2:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:N-2:C-4:C-4:	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	111.9126	2.155	28	111.9126	4.644	28	111.9126	4.644	28	111.9847	3.707	44	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:3:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)3(CCCH)	C(PC[6a]3)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)3(CCCH)	111.0778	1.291	6	111.0778	1.667	6	111.0778	1.667	6	111.0778	1.667	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(CH3)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCHH)(CH3)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)(O)	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	111.5044	17.025	7	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)(S)	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)(S)	109.7070	0.877	2	109.7070	0.769	2	112.2325	15.977	6	111.5044	17.025	7	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)(S)	C(PC[6a]2S)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)(S)	111.6610	2.869	2	111.6610	8.234	2	112.2325	15.977	6	111.5044	17.025	7	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])2(CCCH)(S)	C(PC[6a]2S)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])2(CCCH)(S)	115.3295	6.188	2	115.3295	38.290	2	112.2325	15.977	6	111.5044	17.025	7	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C(PC[6a]2O)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)(OCo)	C(PC[6a]2O)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)(OCo)	110.0230	0.670	4	110.0230	0.449	4	110.0230	0.449	4	110.0230	0.449	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:4:	B-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	C(CBHP)(H)3	P(C[6a]C[6a]2)2(CC[6a]HH)(CBCH)	C(BC[6a]2O)(PC[6a]2C)(CH3)(H)	C(CBHP)(H)3	P(C[6a]C[6a]2)2(CC[6a]HH)(CBCH)	109.1120	0.000	1	109.1120	0.000	1	109.1120	0.000	1	112.0751	8.539	97	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:B-4:	C(C[5]C[5]2Fe)(PC[6a]2B)(CH3)(H)	C(CC[5]HP)(H)3	P(C[6a]C[6a]2)2(CC[5]CH)(BH3)	C(C[5]C[5]2Fe)(PC[6a]2B)(CH3)(H)	C(CC[5]HP)(H)3	P(C[6a]C[6a]2)2(CC[5]CH)(BH3)	106.7420	0.000	1	106.7420	0.000	1	106.7420	0.000	1	112.0751	8.539	97	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N-3:C-4:C-4:	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(NC[6a]Co)(CCCH)2	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(NC[6a]Co)(CCCH)2	112.8643	3.233	16	112.8643	10.449	16	112.8553	9.858	52	112.0751	8.539	97	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N-3:C-4:C-4:	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(NC[6a]Fe)(CCCH)2	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(NC[6a]Fe)(CCCH)2	113.0360	3.167	28	113.0360	10.030	28	112.8553	9.858	52	112.0751	8.539	97	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:N-3:C-4:C-4:	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(NCoSi)(CCCH)2	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(NCoSi)(CCCH)2	112.2050	3.184	8	112.2050	10.135	8	112.8553	9.858	52	112.0751	8.539	97	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:N-3:C-4:C-4:	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5a]C[5a]N[5a])(NC[6a]Al)(CCCH)2	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5a]C[5a]N[5a])(NC[6a]Al)(CCCH)2	111.3962	1.816	20	111.3962	3.297	20	111.5992	5.591	36	112.0751	8.539	97	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:N-3:C-4:C-4:	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5a]C[5a]N[5a])(NC[6a]B)(CCCH)2	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5a]C[5a]N[5a])(NC[6a]B)(CCCH)2	112.6654	2.576	8	112.6654	6.634	8	111.5992	5.591	36	112.0751	8.539	97	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:N-3:C-4:C-4:	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5a]C[5a]N[5a])(NC[6a]Rh)(CCCH)2	C(PC[5a]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5a]C[5a]N[5a])(NC[6a]Rh)(CCCH)2	111.0404	3.256	8	111.0404	10.602	8	111.5992	5.591	36	112.0751	8.539	97	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:C-4:	C(PC[6a]2B)(CBHH)(CH3)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(BC[6a]CH)(CCCH)	C(PC[6a]2B)(CBHH)(CH3)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(BC[6a]CH)(CCCH)	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	112.0751	8.539	97	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:3:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:B-4:	C(PC[6a]2B)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)(BH3)	C(PC[6a]2B)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)(BH3)	109.4228	0.531	6	109.4228	0.281	6	109.4228	0.281	6	112.0751	8.539	97	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:S-1:	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6a]C[5])(CCCH)2(S)	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6a]C[5])(CCCH)2(S)	111.3750	1.710	4	111.3750	2.924	4	111.3750	2.924	4	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(PC[6a]CH)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6,6a]C[6a])(CCCH)2(H)	C(PC[6a]CH)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6,6a]C[6a])(CCCH)2(H)	109.6641	1.662	8	109.6641	2.762	8	110.1591	4.054	24	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(PC[6a]CH)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(H)	C(PC[6a]CH)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(H)	110.4066	2.175	16	110.4066	4.732	16	110.1591	4.054	24	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2(O)	C(PC[6a]CO)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2(O)	111.2136	2.223	28	111.2136	4.940	28	111.3279	6.195	39	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(O)	C(PC[6a]CO)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(O)	111.6191	3.173	11	111.6191	10.071	11	111.3279	6.195	39	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:S-1:	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]2)(CCCH)2(S)	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]2)(CCCH)2(S)	110.8224	0.909	28	110.8224	0.827	28	111.1407	2.593	64	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:S-1:	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2(S)	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2(S)	111.4188	1.986	28	111.4188	3.945	28	111.1407	2.593	64	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:S-1:	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(S)	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(S)	111.2816	2.049	8	111.2816	4.197	8	111.1407	2.593	64	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:Se-1:	C(PC[6a]SeC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]2)(CCCH)2(Se)	C(PC[6a]SeC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]2)(CCCH)2(Se)	111.0728	1.246	12	111.0728	1.552	12	111.1510	1.968	24	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:Se-1:	C(PC[6a]SeC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2(Se)	C(PC[6a]SeC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2(Se)	111.2291	1.597	12	111.2291	2.551	12	111.1510	1.968	24	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:O-1:	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]H)(CCCH)2(O)	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]H)(CCCH)2(O)	110.6603	2.488	8	110.6603	6.191	8	110.6603	6.191	8	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:S-1:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(S)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(S)	110.6877	1.531	8	110.6877	2.345	8	110.8355	2.157	16	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:S-1:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]H)(CCCH)2(S)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]H)(CCCH)2(S)	110.9832	1.492	8	110.9832	2.227	8	110.8355	2.157	16	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:Se-1:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]H)(CCCH)2(Se)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]H)(CCCH)2(Se)	111.3055	1.410	4	111.3055	1.989	4	111.3055	1.989	4	111.0143	3.588	183	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:N-2:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CC[6]H)(CCCH)2(NSi)	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CC[6]H)(CCCH)2(NSi)	112.0750	2.583	4	112.0750	6.670	4	112.0750	6.670	4	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:S-2:	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	P(CC[6]H)(CCCH)2(SMg)	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	P(CC[6]H)(CCCH)2(SMg)	111.8896	2.062	8	111.8896	4.252	8	111.8896	4.252	8	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:N-2:	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(CCCH)2(NN)	C(PC[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2)(CCCH)2(NN)	110.7638	2.706	4	110.7638	7.325	4	110.7638	7.325	4	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:S-2:	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6a]C[5])(CCCH)2(SIr)	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6a]C[5])(CCCH)2(SIr)	110.7070	0.339	4	110.7070	0.115	4	110.8847	0.296	8	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:S-2:	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6a]C[5])(CCCH)2(SRh)	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6a]C[5])(CCCH)2(SRh)	111.0625	0.701	4	111.0625	0.492	4	110.8847	0.296	8	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2(OTe)	C(PC[6a]CO)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2(OTe)	111.3545	3.273	4	111.3545	10.710	4	111.3545	10.710	4	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:S-2:	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(SRh)	C(PC[6a]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(SRh)	111.5838	1.536	14	111.5838	2.359	14	111.5838	2.359	14	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:O-2:	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(OFe)	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(OFe)	110.4207	0.890	8	110.4207	0.792	8	110.4207	0.792	8	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:S-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SCu)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SCu)	111.5375	1.556	12	111.5375	2.422	12	111.3945	1.712	20	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:S-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SFe)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SFe)	110.9985	1.021	4	110.9985	1.043	4	111.3945	1.712	20	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:S-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SPd)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SPd)	111.3612	0.792	4	111.3612	0.627	4	111.3945	1.712	20	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:Se-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SeCu)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SeCu)	111.5633	0.702	4	111.5633	0.492	4	111.2761	0.926	8	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:Se-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SeFe)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SeFe)	110.9890	1.203	4	110.9890	1.448	4	111.2761	0.926	8	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:N-2:	C(PCNP)(CH3)2(H)	C(CCHP)(H)3	P(PC[6a]2)(CCCH)2(NP)	C(PCNP)(CH3)2(H)	C(CCHP)(H)3	P(PC[6a]2)(CCCH)2(NP)	113.8485	2.415	4	113.8485	5.830	4	113.8485	5.830	4	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Se-3:C-4:C-4:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(SeCd2)(CCCH)2(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(SeCd2)(CCCH)2(NP)	111.9935	1.306	4	111.9935	1.706	4	111.6164	1.195	16	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Se-3:C-4:C-4:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(SeCu2)(CCCH)2(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(SeCu2)(CCCH)2(NP)	111.4907	1.047	12	111.4907	1.096	12	111.6164	1.195	16	111.4680	2.646	98	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:3:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-3:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]Ni)(CCCH)2(CCH)	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]Ni)(CCCH)2(CCH)	110.9575	1.655	8	110.9575	2.739	8	110.9575	2.739	8	111.1375	2.422	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:3:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:S-3:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SCu2)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(NC[6]H)(CCCH)2(SCu2)	111.4975	1.494	4	111.4975	2.231	4	111.4975	2.231	4	111.1375	2.422	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:B-4:	C(PBCC)(CH3)2(H)	C(CCHP)(H)3	P(CC[5]H)(CCCH)2(BH3)	C(PBCC)(CH3)2(H)	C(CCHP)(H)3	P(CC[5]H)(CCCH)2(BH3)	111.9958	2.250	4	111.9958	5.062	4	111.9958	5.062	4	112.5014	3.749	55	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2(BH3)	C(PC[6a]BC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2(BH3)	112.4163	2.218	8	112.4163	4.920	8	111.9684	4.739	10	112.5014	3.749	55	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:B-4:	C(PC[6a]BC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(BH3)	C(PC[6a]BC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CC[6a]CH)(CCCH)(BH3)	110.1770	0.434	2	110.1770	0.188	2	111.9684	4.739	10	112.5014	3.749	55	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(CCHH)	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(CCHH)	112.5557	2.155	3	112.5557	4.645	3	112.3578	3.068	29	112.5014	3.749	55	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(CH3)	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2(CH3)	111.1775	2.039	4	111.1775	4.157	4	112.3578	3.068	29	112.5014	3.749	55	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)3	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)3	112.5606	1.524	18	112.5606	2.323	18	112.3578	3.068	29	112.5014	3.749	55	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CRhHH)(CCCH)2	C(PC[6a]CC)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CRhHH)(CCCH)2	112.4770	2.461	4	112.4770	6.059	4	112.3578	3.068	29	112.5014	3.749	55	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]Co)(CCCH)2(CCHH)	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]Co)(CCCH)2(CCHH)	112.4433	2.522	4	112.4433	6.362	4	113.4611	3.926	12	112.5014	3.749	55	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:C-4:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]Ni)(CCCH)2(CCHH)	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(NC[6a]Ni)(CCCH)2(CCHH)	113.9700	1.598	8	113.9700	2.555	8	113.4611	3.926	12	112.5014	3.749	55	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:2:1:1:	C-4:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CH3)2(PO3)(H)	C(CCHP)(H)3	P(CCCH)(OC)(O)2	C(CH3)2(PO3)(H)	C(CCHP)(H)3	P(CCCH)(OC)(O)2	112.3085	0.317	2	112.3085	0.101	2	112.3085	0.101	2	112.4743	0.133	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:2:1:1:	C-4:N-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CH3)(NH3)(PO3)(H)	C(CHNP)(H)3	P(CCHN)(OH)(O)2	C(CH3)(NH3)(PO3)(H)	C(CHNP)(H)3	P(CCHN)(OH)(O)2	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	112.4743	0.133	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:2:2:1:	C-4:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[6a]HN)(CH3)(PO3)(H)	C(CCHP)(H)3	P(CCCH)(OC)2(O)	C(CC[6a]HN)(CH3)(PO3)(H)	C(CCHP)(H)3	P(CCCH)(OC)2(O)	112.7310	0.000	1	112.7310	0.000	1	112.7310	0.000	1	110.4813	3.932	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:2:2:1:	C-4:P-4:P-4:O-1:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)2(O)	C(COPP)(H)3	P(CCOP)(OZn)2(O)	C(CH3)(PO3)2(O)	C(COPP)(H)3	P(CCOP)(OZn)2(O)	109.3565	0.521	2	109.3565	0.272	2	109.3565	0.272	2	110.4813	3.932	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:1:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:I-1:I-1:	C(PCII)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)(CC3)(I)2	C(PCII)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)(CC3)(I)2	111.5362	1.537	12	111.5362	2.362	12	111.5362	2.362	12	111.5362	2.362	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:Cl-1:	C(PClCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(Cl)	C(PClCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(Cl)	111.3413	1.894	4	111.3413	3.586	4	111.3413	3.586	4	111.6323	1.705	69	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:H-1:	C(PCHN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(H)	C(PCHN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(H)	111.6463	1.653	4	111.6463	2.731	4	111.6463	2.731	4	111.6323	1.705	69	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:I-1:	C(PCIN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(I)	C(PCIN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(I)	111.7215	1.490	4	111.7215	2.220	4	111.7215	2.220	4	111.6323	1.705	69	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:S-1:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(S)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(S)	111.2655	1.472	11	111.2655	2.166	11	111.2655	2.166	11	111.6323	1.705	69	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:Se-1:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(Se)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(Se)	111.7718	1.219	36	111.7718	1.487	36	111.7718	1.487	36	111.6323	1.705	69	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:S-1:	C(PCSS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SMo)(S)	C(PCSS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SMo)(S)	111.8620	0.316	3	111.8620	0.100	3	111.6086	1.561	10	111.6323	1.705	69	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:S-1:	C(PCSS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SS)(S)	C(PCSS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SS)(S)	111.5000	1.504	7	111.5000	2.262	7	111.6086	1.561	10	111.6323	1.705	69	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:S-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(SU)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NP)(SU)	111.9264	1.793	24	111.9264	3.215	24	111.9264	3.215	24	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:N-2:	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(OZn)(NC)	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(OZn)(NC)	111.0239	1.797	8	111.0239	3.228	8	111.0239	3.228	8	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SAg)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SAg)(NP)	111.5944	1.026	23	111.5944	1.054	23	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SCe)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SCe)(NP)	111.7942	1.629	22	111.7942	2.653	22	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SCo)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SCo)(NP)	110.8865	1.017	4	110.8865	1.035	4	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SCu)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SCu)(NP)	111.3428	1.370	11	111.3428	1.878	11	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SLa)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SLa)(NP)	111.6328	1.649	24	111.6328	2.719	24	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SMn)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SMn)(NP)	111.3752	1.150	24	111.3752	1.321	24	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SNi)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SNi)(NP)	111.1616	0.778	12	111.1616	0.605	12	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SOs)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SOs)(NP)	112.5784	2.118	47	112.5784	4.485	47	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SPu)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SPu)(NP)	111.8603	1.743	24	111.8603	3.037	24	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SRu)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SRu)(NP)	112.7780	1.922	60	112.7780	3.695	60	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(STe)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(STe)(NP)	111.0514	1.432	12	111.0514	2.051	12	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SZn)(NC)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SZn)(NC)	111.1251	0.646	8	111.1251	0.417	8	111.9732	3.054	271	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeBi)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeBi)(NP)	112.0556	1.624	12	112.0556	2.637	12	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeCd)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeCd)(NP)	111.3852	1.526	4	111.3852	2.328	4	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeCo)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeCo)(NP)	111.8120	1.033	32	111.8120	1.068	32	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeCu)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeCu)(NP)	111.4435	1.369	24	111.4435	1.873	24	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeHg)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeHg)(NP)	111.7281	1.108	16	111.7281	1.227	16	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeIr)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeIr)(NP)	112.7333	1.258	7	112.7333	1.583	7	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeLi)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeLi)(NP)	111.4024	1.007	8	111.4024	1.015	8	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeNi)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeNi)(NP)	111.7454	1.113	20	111.7454	1.240	20	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeSb)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeSb)(NP)	111.7711	1.370	11	111.7711	1.877	11	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeSn)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeSn)(NP)	111.6764	1.736	8	111.6764	3.014	8	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:N-2:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeTe)(NP)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeTe)(NP)	111.7320	1.584	4	111.7320	2.508	4	111.7505	1.586	146	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:Se-2:	C(PSe2C)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeNi)2	C(PSe2C)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeNi)2	110.9375	0.647	8	110.9375	0.418	8	110.9375	0.418	8	111.8648	2.570	457	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:3:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:C-3:	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeLi)(CHP)	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeLi)(CHP)	111.2950	1.034	8	111.2950	1.069	8	111.2950	1.069	8	111.2950	1.069	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:2:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:C-4:	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeAu)(CC3)	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SeAu)(CC3)	113.6842	2.322	4	113.6842	5.393	4	113.6842	5.393	4	113.6842	5.393	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:S-1:	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CCF)(S)	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CCF)(S)	111.2608	2.291	4	111.2608	5.250	4	111.2608	5.250	4	111.2736	3.433	44	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:Se-1:	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CCF)(Se)	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CCF)(Se)	111.2438	1.707	4	111.2438	2.915	4	111.2438	2.915	4	111.2736	3.433	44	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:H-1:	C(PCHN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NRuC)(H)	C(PCHN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NRuC)(H)	110.5825	1.738	4	110.5825	3.021	4	110.5825	3.021	4	111.2736	3.433	44	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:O-1:	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NCH)(O)	C(PCNO)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NCH)(O)	110.8255	1.466	4	110.8255	2.149	4	110.8255	2.149	4	111.2736	3.433	44	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:S-1:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NCH)(S)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NCH)(S)	111.1344	0.977	8	111.1344	0.955	8	111.4036	4.478	20	111.2736	3.433	44	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:S-1:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NHP)(S)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NHP)(S)	111.5831	2.653	12	111.5831	7.040	12	111.4036	4.478	20	111.2736	3.433	44	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:Se-1:	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NHP)(Se)	C(PSeCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NHP)(Se)	111.5395	1.643	8	111.5395	2.699	8	111.5395	2.699	8	111.2736	3.433	44	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:N-2:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(COO)(NP)	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(COO)(NP)	111.4209	2.060	27	111.4209	4.242	27	111.4209	4.242	27	111.9777	4.479	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:N-2:	C(PCNN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NCP)(NCo)	C(PCNN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(NCP)(NCo)	112.3768	2.502	8	112.3768	6.261	8	112.3768	6.261	8	111.9777	4.479	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-3:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SAg2)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SAg2)(NP)	111.6507	1.301	23	111.6507	1.692	23	112.3596	4.094	31	111.9777	4.479	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:3:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:S-3:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SRu2)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(SRu2)(NP)	114.3978	2.414	8	114.3978	5.828	8	112.3596	4.094	31	111.9777	4.479	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Br-1:	C(PBrCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CCHH)(Br)	C(PBrCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CCHH)(Br)	111.4193	0.661	4	111.4193	0.437	4	111.5786	2.459	12	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Br-1:	C(PBrCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CHHP)(Br)	C(PBrCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CHHP)(Br)	111.6582	1.912	8	111.6582	3.655	8	111.5786	2.459	12	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(H)	C(PCCH)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(H)	111.8339	2.575	12	111.8339	6.631	12	111.8339	6.631	12	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:I-1:	C(PCCI)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(I)	C(PCCI)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(I)	112.1918	1.420	18	112.1918	2.015	18	112.1918	2.015	18	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CCHH)(O)	C(PCCO)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CCHH)(O)	111.4048	1.762	4	111.4048	3.104	4	111.4917	1.910	12	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]HH)(CCCH)2(O)	C(PCCO)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]HH)(CCCH)2(O)	111.5351	1.291	8	111.5351	1.665	8	111.4917	1.910	12	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-1:	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(S)	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(S)	113.9700	2.510	3	113.9700	6.300	3	112.1926	3.060	23	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-1:	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]GeH)(CCCH)2(S)	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]GeH)(CCCH)2(S)	111.6532	1.146	8	111.6532	1.313	8	112.1926	3.060	23	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-1:	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]HH)(CCCH)2(S)	C(PCCS)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]HH)(CCCH)2(S)	112.1078	1.749	12	112.1078	3.058	12	112.1926	3.060	23	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Se-1:	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CCHH)(Se)	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CCHH)(Se)	112.1240	0.968	12	112.1240	0.937	12	111.9592	0.941	16	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Se-1:	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CHHP)(Se)	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CHHP)(Se)	111.4648	0.915	4	111.4648	0.838	4	111.9592	0.941	16	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4,4]-4:C-4:C-4:S-1:	C(PC[4,4]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[4,4]Ge[4,4]2C[4,6])(CCCH)2(S)	C(PC[4,4]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[4,4]Ge[4,4]2C[4,6])(CCCH)2(S)	112.5639	1.171	8	112.5639	1.370	8	112.5639	1.370	8	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:S-1:	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6]C[5]Fe)(CCCH)2(S)	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6]C[5]Fe)(CCCH)2(S)	111.7653	2.376	4	111.7653	5.645	4	112.0326	3.057	24	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:S-1:	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6]C[5]Mn)(CCCH)2(S)	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6]C[5]Mn)(CCCH)2(S)	111.9835	0.855	8	111.9835	0.731	8	112.0326	3.057	24	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:S-1:	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6]C[5]Ru)(CCCH)2(S)	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6]C[5]Ru)(CCCH)2(S)	111.3377	1.754	4	111.3377	3.075	4	112.0326	3.057	24	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:S-1:	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6a]C[5]H)(CCCH)2(S)	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6a]C[5]H)(CCCH)2(S)	112.5627	2.222	8	112.5627	4.937	8	112.0326	3.057	24	111.9950	2.631	125	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:N-2:	C(PBCN)(CH3)2(H)	C(CCHP)(H)3	P(BC[6a]3)(CCCH)2(NP)	C(PBCN)(CH3)2(H)	C(CCHP)(H)3	P(BC[6a]3)(CCCH)2(NP)	112.4824	1.401	8	112.4824	1.963	8	112.4824	1.963	8	112.1074	4.155	80	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:B-4:N-2:	C(PBCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(BH3)(NP)	C(PBCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(BH3)(NP)	111.5128	1.580	16	111.5128	2.497	16	111.5128	2.497	16	112.1074	4.155	80	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(NP)	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(NP)	111.7630	1.789	4	111.7630	3.201	4	111.7658	4.295	12	112.1074	4.155	80	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]HH)(CCCH)2(NSi)	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]HH)(CCCH)2(NSi)	111.8783	2.186	4	111.8783	4.779	4	111.7658	4.295	12	112.1074	4.155	80	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]SnH)(CCCH)2(NSi)	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]SnH)(CCCH)2(NSi)	111.6562	2.781	4	111.6562	7.736	4	111.7658	4.295	12	112.1074	4.155	80	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Se-2:	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)(CC3)2(SeI)	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)(CC3)2(SeI)	114.9852	0.981	4	114.9852	0.962	4	112.4663	5.828	32	112.1074	4.155	80	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Se-2:	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CHHP)(SeI)	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)2(CHHP)(SeI)	111.0592	1.682	4	111.0592	2.830	4	112.4663	5.828	32	112.1074	4.155	80	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Se-2:	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(SeI)	C(PSeCC)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(SeI)	112.2809	2.424	24	112.2809	5.876	24	112.4663	5.828	32	112.1074	4.155	80	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:S-2:	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6a]C[5]H)(CCCH)2(SPd)	C(PC[5]CS)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6a]C[5]H)(CCCH)2(SPd)	112.0645	1.294	4	112.0645	1.674	4	112.0645	1.674	4	112.1074	4.155	80	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	In[5]-4:C-4:C-4:N-2:	C(PIn[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(In[5]P[5]S[5]Cl)(CCCH)2(NP)	C(PIn[5]CN)(CH3)2(H)	C(CCHP)(H)3	P(In[5]P[5]S[5]Cl)(CCCH)2(NP)	112.0200	2.130	8	112.0200	4.537	8	112.0200	4.537	8	112.1074	4.155	80	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:3:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(NNiC)	C(PCCN)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(NNiC)	113.1790	2.022	24	113.1790	4.087	24	113.1790	4.087	24	113.1790	4.087	24	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:4:	C-4:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CBHH)(CH3)(PC3)(H)	C(CCHP)(H)3	P(CCCH)(CC3)3	C(CBHH)(CH3)(PC3)(H)	C(CCHP)(H)3	P(CCCH)(CC3)3	114.3190	0.000	1	114.3190	0.000	1	113.2198	2.265	5	112.3246	3.374	43	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:4:	C-4:C-4:P-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)2(PC3)(H)	C(CCHP)(H)3	P(CCCH)3(CCHH)	C(CH3)2(PC3)(H)	C(CCHP)(H)3	P(CCCH)3(CCHH)	112.9450	1.586	4	112.9450	2.516	4	113.2198	2.265	5	112.3246	3.374	43	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:4:	C[5]-4:P-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:B-4:	C(C[5]C[5]2Fe)(PC[6]BC)(CH3)(H)	C(CC[5]HP)(H)3	P(C[6]C[6]2H)(CC[5]CH)2(BH3)	C(C[5]C[5]2Fe)(PC[6]BC)(CH3)(H)	C(CC[5]HP)(H)3	P(C[6]C[6]2H)(CC[5]CH)2(BH3)	111.6290	0.368	4	111.6290	0.136	4	111.6290	0.136	4	112.3246	3.374	43	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	As-4:C-4:C-4:C-4:	C(PAsCC)(CH3)2(H)	C(CCHP)(H)3	P(AsHWW)(CCCH)2(CH3)	C(PAsCC)(CH3)2(H)	C(CCHP)(H)3	P(AsHWW)(CCCH)2(CH3)	111.8555	2.237	4	111.8555	5.006	4	111.8555	5.006	4	112.3246	3.374	43	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:B-4:	C(PBCC)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]HH)(CCCH)2(BH3)	C(PBCC)(CH3)2(H)	C(CCHP)(H)3	P(CC[6a]HH)(CCCH)2(BH3)	111.8918	1.351	8	111.8918	1.826	8	111.7392	2.295	16	112.3246	3.374	43	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:B-4:	C(PBCC)(CH3)2(H)	C(CCHP)(H)3	P(CN[5a]HH)(CCCH)2(BH3)	C(PBCC)(CH3)2(H)	C(CCHP)(H)3	P(CN[5a]HH)(CCCH)2(BH3)	111.5867	1.743	8	111.5867	3.039	8	111.7392	2.295	16	112.3246	3.374	43	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-4:	C(PCCP)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(PC3)	C(PCCP)(CH3)2(H)	C(CCHP)(H)3	P(CCCH)3(PC3)	113.1978	1.761	6	113.1978	3.100	6	113.1978	3.100	6	112.3246	3.374	43	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2Fe)(CCCH)3	C(PC[5]CC)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2Fe)(CCCH)3	114.5097	2.175	4	114.5097	4.730	4	114.5097	4.730	4	112.3246	3.374	43	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-4:C-4:	C(PGaCC)(CH3)2(H)	C(CCHP)(H)3	P(GaCl2N)(CCCH)2(CCHH)	C(PGaCC)(CH3)2(H)	C(CCHP)(H)3	P(GaCl2N)(CCCH)2(CCHH)	111.2163	2.016	4	111.2163	4.066	4	111.2163	4.066	4	112.3246	3.374	43	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	5:4:2:2:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C-5:C-4:S-2:N-2:	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCHH)(CCCH)(SRu)(NP)	C(PCNS)(CH3)2(H)	C(CCHP)(H)3	P(CCCHH)(CCCH)(SRu)(NP)	111.0850	1.314	2	111.0850	1.726	2	111.0850	1.726	2	111.0850	1.726	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	5:4:4:1:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3x3,3x5,12x6]-5:C-4:C-4:H-1:	C(PC[3x3,3x5,12x6]CH)(CH3)2(H)	C(CCHP)(H)3	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)	C(CCHP)(H)3	P(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CCCH)2(H)	112.0830	1.498	4	112.0830	2.245	4	112.0830	2.245	4	112.0830	2.245	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:1:1:1:	6:4:4:4:	P-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-4:C-4:B-4:	C(PB[5x3,5x5,20x6]BC)(CH3)2(H)	C(CCHP)(H)3	P(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCCH)2(BH3)	C(PB[5x3,5x5,20x6]BC)(CH3)2(H)	C(CCHP)(H)3	P(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCCH)2(BH3)	111.9405	1.476	4	111.9405	2.180	4	111.9405	2.180	4	111.9405	2.180	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:2:1:1:	3:3:4:4:	C-4:P-4:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:B-4:	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	C(CCHP)(OC)(H)2	P(C[6a]C[6a]2)2(CCCH)(BH3)	C(CC[6a]HO)(PC[6a]2B)(CHHO)(H)	C(CCHP)(OC)(H)2	P(C[6a]C[6a]2)2(CCCH)(BH3)	108.4873	0.539	3	108.4873	0.290	3	108.4873	0.290	3	108.4873	0.290	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:3:1:1:	3:3:4:1:	P-4:C-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CCHH)(CH3)(H)	C(CCHP)(CNO)(H)2	P(C[6a]C[6a]2)2(CCCH)(O)	C(PC[6a]2O)(CCHH)(CH3)(H)	C(CCHP)(CNO)(H)2	P(C[6a]C[6a]2)2(CCCH)(O)	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	108.6693	4.961	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:3:1:1:	3:3:4:1:	P-4:P-4:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)2(CCHH)(H)	C(CHPP)(CCO)(H)2	P(C[6a]C[6a]2)2(CCHP)(O)	C(PC[6a]2O)2(CCHH)(H)	C(CHPP)(CCO)(H)2	P(C[6a]C[6a]2)2(CCHP)(O)	107.6225	1.829	2	107.6225	3.346	2	107.6225	3.346	2	108.6693	4.961	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	2:2:4:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	O-2:O-2:C-4:Se-1:	C(PSeOO)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	P(OC[6a])2(CCCH)(Se)	C(PSeOO)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	P(OC[6a])2(CCCH)(Se)	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	3:3:3:4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:C-4:	C(PC[6a]2N)(CAlHH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	P(C[6a]C[6a]2)2(NC[6a]Al)(CCCH)	C(PC[6a]2N)(CAlHH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	P(C[6a]C[6a]2)2(NC[6a]Al)(CCCH)	113.2230	0.000	1	113.2230	0.000	1	113.2230	0.000	1	113.2230	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	3:3:4:1:	C[5]-4:P-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(C[5]C[5]2Fe)(PC[6a]2S)(CCHH)(H)	C(CC[5]HH)(CC[5]HP)(H)2	P(C[6a]C[6a]2)2(CC[5]CH)(S)	C(C[5]C[5]2Fe)(PC[6a]2S)(CCHH)(H)	C(CC[5]HH)(CC[5]HP)(H)2	P(C[6a]C[6a]2)2(CC[5]CH)(S)	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	110.1208	3.909	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	3:3:4:1:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	P(C[6a]C[6a]2)2(CCCH)(S)	C(PC[6a]2S)(CCHH)(CH3)(H)	C(CCHP)(CH3)(H)2	P(C[6a]C[6a]2)2(CCCH)(S)	109.5815	0.254	2	109.5815	0.064	2	109.5815	0.064	2	110.1208	3.909	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	3:3:4:1:	P-4:P-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)2(CHHP)(H)	C(PC[6a]2O)(CHPP)(H)2	P(C[6a]C[6a]2)2(CCHP)(O)	C(PC[6a]2O)2(CHHP)(H)	C(PC[6a]2O)(CHPP)(H)2	P(C[6a]C[6a]2)2(CCHP)(O)	110.2236	2.339	8	110.2236	5.471	8	110.2236	5.471	8	110.1208	3.909	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:C-4:	C(PC[6a]2B)(CBHH)(CH3)(H)	C(BC[6a]HP)(CCHP)(H)2	P(C[6a]C[6a]2)2(BC[6a]CH)(CCCH)	C(PC[6a]2B)(CBHH)(CH3)(H)	C(BC[6a]HP)(CCHP)(H)2	P(C[6a]C[6a]2)2(BC[6a]CH)(CCCH)	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.9580	1.069	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	3:3:4:4:	P-4:C-4:C-4:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:C-4:	C(PC[6a]2C)(CIrHH)(CHHP)(H)	C(PIrCC)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)(CH3)	C(PC[6a]2C)(CIrHH)(CHHP)(H)	C(PIrCC)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)(CH3)	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	109.9580	1.069	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	3:4:4:4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	B[6]-3:C-4:C-4:C-4:	C(PB[6]CC)(CPtCH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	P(B[6]C[6]2)(CCCH)(CC3)2	C(PB[6]CC)(CPtCH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	P(B[6]C[6]2)(CCCH)(CC3)2	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	108.8150	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:C-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CC[6]HH)(CCHH)(PO3)(H)	C(CCHN)(CCHP)(H)2	P(CCCH)(OH)(O)2	C(CC[6]HH)(CCHH)(PO3)(H)	C(CCHN)(CCHP)(H)2	P(CCCH)(OH)(O)2	115.7750	0.000	1	115.7750	0.000	1	115.7750	0.000	1	114.6358	1.582	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(NCHH)(PO3)(H)	C(CHNP)(CH3)(H)2	P(CCHN)(OH)(O)2	C(CCHH)(NCHH)(PO3)(H)	C(CHNP)(CH3)(H)2	P(CCHN)(OH)(O)2	113.4850	0.000	1	113.4850	0.000	1	114.2560	1.508	3	114.6358	1.582	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	4:2:1:1:	C-4:N-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(NH3)(PO3)(H)	C(CHNP)(CH3)(H)2	P(CCHN)(OH)(O)2	C(CCHH)(NH3)(PO3)(H)	C(CHNP)(CH3)(H)2	P(CCHN)(OH)(O)2	114.6415	1.457	2	114.6415	2.124	2	114.2560	1.508	3	114.6358	1.582	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[5]HH)(PO3)2(H)	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	P(CCHP)(OC)2(O)	C(CC[5]HH)(PO3)2(H)	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	P(CCHP)(OC)2(O)	112.0180	3.091	2	112.0180	9.557	2	112.0180	9.557	2	111.4592	3.833	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:H-1:	N-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CHHN)(PO3)2(H)	C(NPtCH)(CHPP)(H)2	P(CCHP)(OC)2(O)	C(CHHN)(PO3)2(H)	C(NPtCH)(CHPP)(H)2	P(CCHP)(OC)2(O)	110.9005	0.832	2	110.9005	0.693	2	110.9005	0.693	2	111.4592	3.833	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	4:4:4:2:	C-4:C-4:P-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:N-2:	C(CPtCH)(CCHH)(PCCN)(H)	C(CCHH)(CCHP)(H)2	P(CCCH)3(NP)	C(CPtCH)(CCHH)(PCCN)(H)	C(CCHH)(CCHP)(H)2	P(CCCH)3(NP)	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	107.9410	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:P-4:H-1:	B-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CBHH)(CH3)(PC3)(H)	C(BC[6a]3)(CCHP)(H)2	P(CCCH)(CC3)3	C(CBHH)(CH3)(PC3)(H)	C(BC[6a]3)(CCHP)(H)2	P(CCCH)(CC3)3	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	112.7115	4.372	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:C-4:P-4:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CRuHH)(CHHP)(PC3)(H)	C(PRuCC)(CCHP)(H)2	P(CCCH)3(CCHH)	C(CRuHH)(CHHP)(PC3)(H)	C(PRuCC)(CCHP)(H)2	P(CCCH)3(CCHH)	111.1250	0.000	1	111.1250	0.000	1	111.1250	0.000	1	112.7115	4.372	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	C-4:P-4:Si-4:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:B-4:	C(CCHH)(PBCC)(SiC3)(H)	C(CSiHP)(CCHH)(H)2	P(CSiCH)(CCHH)2(BH3)	C(CCHH)(PBCC)(SiC3)(H)	C(CSiHP)(CCHH)(H)2	P(CSiCH)(CCHH)2(BH3)	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	112.7115	4.372	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:1:1:	4:4:4:4:	P-4:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(CPdCH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	P(C[5]C[5]2Fe)(CCCH)3	C(PC[5]CC)(CPdCH)(CCHH)(H)	C(CCHH)(CCHP)(H)2	P(C[5]C[5]2Fe)(CCCH)3	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	112.7115	4.372	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:1:	4:4:4:4:	4:4:1:1:	C-4:P-4:C-4:H-1:	C-4:C-4:C-4:C-4:	C[6]-4:C-4:H-1:O-1:	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(CCHP)(CH3)3	P(C[6]C[6]2H)(CCCH)(H)(O)	C(CC[6a]HO)(PC[6]HO)(CC3)(H)	C(CCHP)(CH3)3	P(C[6]C[6]2H)(CCCH)(H)(O)	113.6910	0.000	1	113.6910	0.000	1	113.6910	0.000	1	113.6910	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CC[5a]HH)(PO3)2(OH)	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	P(CCOP)(OH)(O)2	C(CC[5a]HH)(PO3)2(OH)	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	P(CCOP)(OH)(O)2	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	109.5959	4.815	10	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CC[6]HH)(PO3)2(OH)	C(C[6]C[6]2)(COPP)(H)2	P(CCOP)(OH)(O)2	C(CC[6]HH)(PO3)2(OH)	C(C[6]C[6]2)(COPP)(H)2	P(CCOP)(OH)(O)2	110.7523	1.349	3	110.7523	1.821	3	110.7523	1.821	3	109.5959	4.815	10	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	P(CCOP)(OH)(O)2	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	P(CCOP)(OH)(O)2	108.3130	2.397	2	108.3130	5.746	2	109.2893	5.733	3	109.5959	4.815	10	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]N[5])(COPP)(H)2	P(CCOP)(OH)(O)2	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]N[5])(COPP)(H)2	P(CCOP)(OH)(O)2	111.2420	0.000	1	111.2420	0.000	1	109.2893	5.733	3	109.5959	4.815	10	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	N[5a]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CN[5a]HH)(PO3)2(OH)	C(N[5a]C[5a]N[5a])(COPP)(H)2	P(CCOP)(OH)(O)2	C(CN[5a]HH)(PO3)2(OH)	C(N[5a]C[5a]N[5a])(COPP)(H)2	P(CCOP)(OH)(O)2	108.0680	3.404	2	108.0680	11.587	2	108.0680	11.587	2	109.5959	4.815	10	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CN[6]HH)(PO3)2(OH)	C(N[6]C[6]2)(COPP)(H)2	P(CCOP)(OH)(O)2	C(CN[6]HH)(PO3)2(OH)	C(N[6]C[6]2)(COPP)(H)2	P(CCOP)(OH)(O)2	111.7920	0.000	1	111.7920	0.000	1	111.7920	0.000	1	109.5959	4.815	10	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:2:1:	C-4:C-4:P-4:O-2:	C-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(CH3)(PO3)(OH)	C(CC[6a]O)(CCOP)(H)2	P(CCCO)(OC)2(O)	C(CCHH)(CH3)(PO3)(OH)	C(CC[6a]O)(CCOP)(H)2	P(CCCO)(OC)2(O)	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	109.0962	12.618	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C[5a]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[5a]HH)(PO3)2(OH)	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	P(CCOP)(OH)2(O)	C(CC[5a]HH)(PO3)2(OH)	C(C[5a]N[5a,6]C[5a])(COPP)(H)2	P(CCOP)(OH)2(O)	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	109.0962	12.618	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C[6]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[6]HH)(PO3)2(OH)	C(C[6]C[6]2)(COPP)(H)2	P(CCOP)(OH)2(O)	C(CC[6]HH)(PO3)2(OH)	C(C[6]C[6]2)(COPP)(H)2	P(CCOP)(OH)2(O)	105.5360	0.000	1	105.5360	0.000	1	105.5360	0.000	1	109.0962	12.618	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	P(CCOP)(OCu)(OH)(O)	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	P(CCOP)(OCu)(OH)(O)	110.2505	3.924	2	110.2505	15.396	2	109.0509	14.696	11	109.0962	12.618	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	P(CCOP)(OMn)(OH)(O)	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	P(CCOP)(OMn)(OH)(O)	108.3210	5.175	2	108.3210	26.777	2	109.0509	14.696	11	109.0962	12.618	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	P(CCOP)(ONi)(OH)(O)	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	P(CCOP)(ONi)(OH)(O)	108.6460	5.334	2	108.6460	28.456	2	109.0509	14.696	11	109.0962	12.618	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	P(CCOP)(OZn)(OH)(O)	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(H)2	P(CCOP)(OZn)(OH)(O)	109.6405	4.636	4	109.6405	21.493	4	109.0509	14.696	11	109.0962	12.618	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]N[5])(COPP)(H)2	P(CCOP)(OH)2(O)	C(CN[5]HH)(PO3)2(OH)	C(N[5]C[5]N[5])(COPP)(H)2	P(CCOP)(OH)2(O)	106.5630	0.000	1	106.5630	0.000	1	109.0509	14.696	11	109.0962	12.618	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	N[6]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CN[6]HH)(PO3)2(OH)	C(N[6]C[6]2)(COPP)(H)2	P(CCOP)(OH)2(O)	C(CN[6]HH)(PO3)2(OH)	C(N[6]C[6]2)(COPP)(H)2	P(CCOP)(OH)2(O)	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	109.0962	12.618	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:4:4:	4:2:1:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:C-4:C-4:	C-4:O-2:O-1:O-1:	C(CN[5]CC)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(CH3)2	P(CCOP)(OH)(O)2	C(CN[5]CC)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(CH3)2	P(CCOP)(OH)(O)2	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	3:4:4:4:	4:2:2:1:	C-4:P-4:P-4:O-2:	N[5]-3:C-4:C-4:C-4:	C-4:O-2:O-2:O-1:	C(CN[5]CC)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(CH3)2	P(CCOP)(OH)2(O)	C(CN[5]CC)(PO3)2(OH)	C(N[5]C[5]2)(COPP)(CH3)2	P(CCOP)(OH)2(O)	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	2:4:1:1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	O-2:C-4:O-1:O-1:	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	P(OC[6a])(CCCO)(O)2	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	P(OC[6a])(CCCO)(O)2	111.2710	2.161	2	111.2710	4.670	2	111.2710	4.670	2	111.2710	4.670	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	2:4:2:1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	O-2:C-4:O-2:O-1:	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	P(OC[6a])(CCCO)(OCu)(O)	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	P(OC[6a])(CCCO)(OCu)(O)	111.7366	1.024	8	111.7366	1.048	8	111.5824	1.519	20	111.5824	1.519	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	2:4:2:1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	O-2:C-4:O-2:O-1:	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	P(OC[6a])(CCCO)(OH)(O)	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	P(OC[6a])(CCCO)(OH)(O)	110.5075	0.884	4	110.5075	0.782	4	111.5824	1.519	20	111.5824	1.519	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	2:4:2:1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	O-2:C-4:O-2:O-1:	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	P(OC[6a])(CCCO)(OZn)(O)	C(CH3)2(PO3)(OH)	C(CCOP)(H)3	P(OC[6a])(CCCO)(OZn)(O)	111.9657	1.373	8	111.9657	1.886	8	111.5824	1.519	20	111.5824	1.519	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	3:2:4:1:	P-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C[6a]-3:O-2:C-4:O-1:	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCOP)(H)3	P(C[6a]C[6a]2)(OC[6])(CCCO)(O)	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCOP)(H)3	P(C[6a]C[6a]2)(OC[6])(CCCO)(O)	106.6975	0.009	2	106.6975	0.000	2	106.6975	0.000	2	106.6975	0.000	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	3:3:3:4:	P-4:C-4:C-4:C-2:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(CH3)2(CC)	C(CCCP)(H)3	P(C[6a]C[6a]2)3(CC3)	C(PC[6a]3)(CH3)2(CC)	C(CCCP)(H)3	P(C[6a]C[6a]2)3(CC3)	110.2785	0.445	2	110.2785	0.198	2	110.2785	0.198	2	110.2785	0.198	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	3:3:4:1:	P-4:C-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CH3)2(OH)	C(CCOP)(H)3	P(C[6a]C[6a]2)2(CCCO)(O)	C(PC[6a]2O)(CH3)2(OH)	C(CCOP)(H)3	P(C[6a]C[6a]2)2(CCCO)(O)	108.9270	0.615	2	108.9270	0.378	2	108.9270	0.378	2	108.9270	0.378	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OH)(O)2	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OH)(O)2	109.2543	0.330	7	109.2543	0.109	7	109.2543	0.109	7	109.2543	0.109	7	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(CH3)(PO3)(OH)	C(CCOP)(H)3	P(CCCO)(OC)2(O)	C(CCHH)(CH3)(PO3)(OH)	C(CCOP)(H)3	P(CCCO)(OC)2(O)	110.0780	0.000	1	110.0780	0.000	1	110.7815	0.990	2	111.4243	0.623	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:1:	C-4:C-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHN)(CH3)(PO3)(OH)	C(CCOP)(H)3	P(CCCO)(OC)2(O)	C(CCHN)(CH3)(PO3)(OH)	C(CCOP)(H)3	P(CCCO)(OC)2(O)	111.4850	0.000	1	111.4850	0.000	1	110.7815	0.990	2	111.4243	0.623	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OCo)(OH)(O)	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OCo)(OH)(O)	111.2728	0.658	4	111.2728	0.432	4	111.4855	0.591	21	111.4243	0.623	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OCu)(OH)(O)	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OCu)(OH)(O)	111.4000	0.571	2	111.4000	0.326	2	111.4855	0.591	21	111.4243	0.623	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OH)2(O)	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OH)2(O)	111.6028	1.108	6	111.6028	1.228	6	111.4855	0.591	21	111.4243	0.623	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OMg)(OH)(O)	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OMg)(OH)(O)	110.9525	0.149	2	110.9525	0.022	2	111.4855	0.591	21	111.4243	0.623	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(ONi)(OH)(O)	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(ONi)(OH)(O)	111.7623	0.728	6	111.7623	0.530	6	111.4855	0.591	21	111.4243	0.623	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OZn)(OH)(O)	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OZn)(OH)(O)	111.2080	0.000	1	111.2080	0.000	1	111.4855	0.591	21	111.4243	0.623	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:2:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OCo)(OH)2	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OCo)(OH)2	112.2990	0.424	2	112.2990	0.180	2	111.9576	0.737	5	111.9576	0.737	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:2:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(ONi)(OH)2	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(ONi)(OH)2	112.3420	0.362	2	112.3420	0.131	2	111.9576	0.737	5	111.9576	0.737	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:2:2:2:	C-4:P-4:P-4:O-2:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OZn)2(OH)	C(CH3)(PO3)2(OH)	C(COPP)(H)3	P(CCOP)(OZn)2(OH)	110.5060	0.000	1	110.5060	0.000	1	111.9576	0.737	5	111.9576	0.737	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:1:1:1:	4:4:1:1:	P-4:P-4:C-4:O-2:	C-4:H-1:H-1:H-1:	C-4:C-4:O-1:O-1:	C(PCOO)2(CH3)(OH)	C(COPP)(H)3	P(CCOP)(CHHN)(O)2	C(PCOO)2(CH3)(OH)	C(COPP)(H)3	P(CCOP)(CHHN)(O)2	109.8070	1.451	2	109.8070	2.105	2	109.8070	2.105	2	109.8070	2.105	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:3:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	C-4:S-3:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CHHS)(PO3)2(OH)	C(COPP)(SCC)(H)2	P(CCOP)(OH)(O)2	C(CHHS)(PO3)2(OH)	C(COPP)(SCC)(H)2	P(CCOP)(OH)(O)2	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:3:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:S-3:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CHHS)(PO3)2(OH)	C(COPP)(SCC)(H)2	P(CCOP)(OH)2(O)	C(CHHS)(PO3)2(OH)	C(COPP)(SCC)(H)2	P(CCOP)(OH)2(O)	109.1570	0.000	1	109.1570	0.000	1	109.1570	0.000	1	109.1570	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	3:2:4:1:	P-4:C-4:C-4:O-2:	C-4:C-4:H-1:H-1:	C[6a]-3:O-2:C-4:O-1:	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCCH)(CCOP)(H)2	P(C[6a]C[6a]2)(OC[6])(CCCO)(O)	C(PC[6a]OO)(CCHH)(CH3)(OH)	C(CCCH)(CCOP)(H)2	P(C[6a]C[6a]2)(OC[6])(CCCO)(O)	108.2800	0.895	2	108.2800	0.801	2	108.2800	0.801	2	108.2800	0.801	2	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:1:1:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(O)3	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(O)3	111.9146	2.543	8	111.9146	6.469	8	111.9146	6.469	8	111.9146	6.469	8	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	As-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CAsHH)(PO3)2(OH)	C(AsC3)(COPP)(H)2	P(CCOP)(OH)(O)2	C(CAsHH)(PO3)2(OH)	C(AsC3)(COPP)(H)2	P(CCOP)(OH)(O)2	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	110.4622	6.013	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(OH)(O)2	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(OH)(O)2	111.0553	2.511	8	111.0553	6.303	8	110.8895	6.130	10	110.4622	6.013	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(PO3)2(OH)	C(CHHN)(COPP)(H)2	P(CCOP)(ONi)(O)2	C(CCHH)(PO3)2(OH)	C(CHHN)(COPP)(H)2	P(CCOP)(ONi)(O)2	107.9960	0.000	1	107.9960	0.000	1	110.8895	6.130	10	110.4622	6.013	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(PO3)2(OH)	C(CN[6]HH)(COPP)(H)2	P(CCOP)(OH)(O)2	C(CCHH)(PO3)2(OH)	C(CN[6]HH)(COPP)(H)2	P(CCOP)(OH)(O)2	112.4570	0.000	1	112.4570	0.000	1	110.8895	6.130	10	110.4622	6.013	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:1:1:	C-4:P-4:P-4:O-2:	C-4:P-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CHHP)(PO3)2(OH)	C(COPP)(PC3)(H)2	P(CCOP)(OH)(O)2	C(CHHP)(PO3)2(OH)	C(COPP)(PC3)(H)2	P(CCOP)(OH)(O)2	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	110.4622	6.013	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	As-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CAsHH)(PO3)2(OH)	C(AsC3)(COPP)(H)2	P(CCOP)(OH)2(O)	C(CAsHH)(PO3)2(OH)	C(AsC3)(COPP)(H)2	P(CCOP)(OH)2(O)	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	110.0015	9.429	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(OCu)(OH)(O)	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(OCu)(OH)(O)	111.2135	1.964	2	111.2135	3.856	2	110.2625	10.447	13	110.0015	9.429	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(OMg)(OH)(O)	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(OMg)(OH)(O)	111.5607	3.706	4	111.5607	13.738	4	110.2625	10.447	13	110.0015	9.429	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(ONi)(OH)(O)	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(ONi)(OH)(O)	111.6297	3.425	3	111.6297	11.730	3	110.2625	10.447	13	110.0015	9.429	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)2(OH)	C(CHHN)(COPP)(H)2	P(CCOP)(OCo)(OH)(O)	C(CCHH)(PO3)2(OH)	C(CHHN)(COPP)(H)2	P(CCOP)(OCo)(OH)(O)	108.2490	0.554	2	108.2490	0.307	2	110.2625	10.447	13	110.0015	9.429	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)2(OH)	C(CHHN)(COPP)(H)2	P(CCOP)(ONi)(OH)(O)	C(CCHH)(PO3)2(OH)	C(CHHN)(COPP)(H)2	P(CCOP)(ONi)(OH)(O)	108.7470	0.000	1	108.7470	0.000	1	110.2625	10.447	13	110.0015	9.429	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)2(OH)	C(CN[6]HH)(COPP)(H)2	P(CCOP)(OH)2(O)	C(CCHH)(PO3)2(OH)	C(CN[6]HH)(COPP)(H)2	P(CCOP)(OH)2(O)	104.6090	0.000	1	104.6090	0.000	1	110.2625	10.447	13	110.0015	9.429	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:O-2:	C-4:P-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CHHP)(PO3)2(OH)	C(COPP)(PC3)(H)2	P(CCOP)(OH)2(O)	C(CHHP)(PO3)2(OH)	C(COPP)(PC3)(H)2	P(CCOP)(OH)2(O)	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	110.0015	9.429	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:2:2:2:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(ONi)2(OH)	C(CCHH)(PO3)2(OH)	C(CCHH)(COPP)(H)2	P(CCOP)(ONi)2(OH)	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:1:1:	4:3:2:1:	C-4:P-4:P-4:O-2:	C-4:C-4:H-1:H-1:	C-4:O-3:O-2:O-1:	C(CCHH)(PO3)2(OMo)	C(CCHH)(COPP)(H)2	P(CCOP)(OMo2)(OMo)(O)	C(CCHH)(PO3)2(OMo)	C(CCHH)(COPP)(H)2	P(CCOP)(OMo2)(OMo)(O)	114.4398	3.023	4	114.4398	9.137	4	114.4398	9.137	4	114.4398	9.137	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:2:	4:4:3:1:	4:2:2:1:	C-4:C-4:P-4:O-2:	C-4:C-4:N-3:H-1:	C-4:O-2:O-2:O-1:	C(CCHN)(CH3)(PO3)(OH)	C(CCOP)(CH3)(NOO)(H)	P(CCCO)(OC)2(O)	C(CCHN)(CH3)(PO3)(OH)	C(CCOP)(CH3)(NOO)(H)	P(CCCO)(OC)2(O)	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:2:2:1:	C-4:C-4:P-4:N-3:	C-4:F-1:F-1:F-1:	C-4:O-2:O-2:O-1:	C(CF3)2(PO3)(NHS)	C(CCNP)(F)3	P(CCCN)(OC)2(O)	C(CF3)2(PO3)(NHS)	C(CCNP)(F)3	P(CCCN)(OC)2(O)	110.1565	0.158	2	110.1565	0.025	2	110.1565	0.025	2	109.7707	2.802	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:2:2:1:	C-4:C-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCCH)(CH3)(PO3)(NOO)	C(CCNP)(H)3	P(CCCN)(OC)2(O)	C(CCCH)(CH3)(PO3)(NOO)	C(CCNP)(H)3	P(CCCN)(OC)2(O)	107.8240	0.000	1	107.8240	0.000	1	109.5777	4.512	4	109.7707	2.802	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:2:2:1:	C-4:C-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(CH3)(PO3)(NOO)	C(CCNP)(H)3	P(CCCN)(OC)2(O)	C(CCHH)(CH3)(PO3)(NOO)	C(CCNP)(H)3	P(CCCN)(OC)2(O)	109.1390	0.000	1	109.1390	0.000	1	109.5777	4.512	4	109.7707	2.802	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:2:2:1:	C-4:C-4:P-4:N-3:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)2(PO3)(NCO)	C(CCNP)(H)3	P(CCCN)(OC)2(O)	C(CH3)2(PO3)(NCO)	C(CCNP)(H)3	P(CCCN)(OC)2(O)	110.6740	2.804	2	110.6740	7.865	2	109.5777	4.512	4	109.7707	2.802	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:4:1:1:	4:2:2:1:	C-4:C-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(H)2	P(CCCN)(OC)2(O)	C(CCHH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(H)2	P(CCCN)(OC)2(O)	111.9440	0.000	1	111.9440	0.000	1	110.6013	1.411	3	109.7998	3.095	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:4:1:1:	4:2:2:1:	C-4:C-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)2(PO3)(NOO)	C(CCHH)(CCNP)(H)2	P(CCCN)(OC)2(O)	C(CCHH)2(PO3)(NOO)	C(CCHH)(CCNP)(H)2	P(CCCN)(OC)2(O)	109.6880	0.000	1	109.6880	0.000	1	110.6013	1.411	3	109.7998	3.095	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:4:1:1:	4:2:2:1:	C-4:C-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)2(PO3)(NOO)	C(CCNP)(CH3)(H)2	P(CCCN)(OC)2(O)	C(CCHH)2(PO3)(NOO)	C(CCNP)(CH3)(H)2	P(CCCN)(OC)2(O)	110.1720	0.000	1	110.1720	0.000	1	110.6013	1.411	3	109.7998	3.095	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:4:1:1:	4:2:2:1:	C-4:P-4:P-4:N-3:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(PO3)2(NCH)	C(CNPP)(CH3)(H)2	P(CCNP)(OH)2(O)	C(CCHH)(PO3)2(NCH)	C(CNPP)(CH3)(H)2	P(CCNP)(OH)2(O)	108.5975	2.177	2	108.5975	4.740	2	108.5975	4.740	2	109.7998	3.095	5	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:4:4:1:	4:2:2:1:	C-4:C-4:P-4:N-3:	C-4:C-4:C-4:H-1:	C-4:O-2:O-2:O-1:	C(CCCH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(CHHN)(H)	P(CCCN)(OC)2(O)	C(CCCH)(CH3)(PO3)(NOO)	C(CCHH)(CCNP)(CHHN)(H)	P(CCCN)(OC)2(O)	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	3:4:1:1:	4:2:2:1:	C-4:C-4:P-4:P-4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[6a]HH)2(PO3)2	C(C[6a]C[6a]2)(CCPP)(H)2	P(CCCP)(OC)2(O)	C(CC[6a]HH)2(PO3)2	C(C[6a]C[6a]2)(CCPP)(H)2	P(CCCP)(OC)2(O)	108.6935	3.517	12	108.6935	12.367	12	108.6935	12.367	12	108.8976	12.140	14	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	3:4:1:1:	4:2:2:1:	C-4:N-4:P-4:P-4:	C[6a]-3:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CC[6a]HH)(NNiHH)(PO3)2	C(C[6a]C[6a]2)(CNPP)(H)2	P(CCNP)(ONi)2(O)	C(CC[6a]HH)(NNiHH)(PO3)2	C(C[6a]C[6a]2)(CNPP)(H)2	P(CCNP)(ONi)2(O)	110.1225	4.276	2	110.1225	18.283	2	110.1225	18.283	2	108.8976	12.140	14	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:2:4:2:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	O-2:O-2:C-4:O-2:	C(CH3)3(PO3)	C(CCCP)(H)3	P(OIn[5])2(CC3)(OH)	C(CH3)3(PO3)	C(CCCP)(H)3	P(OIn[5])2(CC3)(OH)	109.1727	0.650	3	109.1727	0.423	3	109.1727	0.423	3	109.1727	0.423	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:2:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:O-2:C-4:C-4:	C(PCOO)(CH3)3	C(CCCP)(H)3	P(OB[5a])2(CC3)2	C(PCOO)(CH3)3	C(CCCP)(H)3	P(OB[5a])2(CC3)2	109.5547	2.924	6	109.5547	8.550	6	109.5547	8.550	6	109.6521	4.752	77	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:2:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se-2:Se-2:C-4:C-4:	C(PSe2C)(CH3)3	C(CCCP)(H)3	P(SeHg)2(CC3)2	C(PSe2C)(CH3)3	C(CCCP)(H)3	P(SeHg)2(CC3)2	109.4877	2.266	12	109.4877	5.136	12	109.6604	4.548	71	109.6521	4.752	77	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:2:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se-2:Se-2:C-4:C-4:	C(PSe2C)(CH3)3	C(CCCP)(H)3	P(SeNi)2(CC3)2	C(PSe2C)(CH3)3	C(CCCP)(H)3	P(SeNi)2(CC3)2	109.7051	2.159	47	109.7051	4.660	47	109.6604	4.548	71	109.6521	4.752	77	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:2:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se-2:Se-2:C-4:C-4:	C(PSe2C)(CH3)3	C(CCCP)(H)3	P(SeZn)2(CC3)2	C(PSe2C)(CH3)3	C(CCCP)(H)3	P(SeZn)2(CC3)2	109.6581	2.069	12	109.6581	4.280	12	109.6604	4.548	71	109.6521	4.752	77	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:H-1:O-1:	C(PHOO)(CH3)3	C(CCCP)(H)3	P(OC[6a])(CC3)(H)(O)	C(PHOO)(CH3)3	C(CCCP)(H)3	P(OC[6a])(CC3)(H)(O)	108.4640	1.709	3	108.4640	2.920	3	108.4640	2.920	3	108.4640	2.920	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:4:2:1:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	O-2:C-4:O-2:O-1:	C(CH3)3(PO3)	C(CCCP)(H)3	P(OIn[5])(CC3)(OH)(O)	C(CH3)3(PO3)	C(CCCP)(H)3	P(OIn[5])(CC3)(OH)(O)	108.5447	0.825	3	108.5447	0.681	3	108.5447	0.681	3	108.5447	0.681	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:H-1:	C(PCHO)(CH3)3	C(CCCP)(H)3	P(OC[6a])(CC3)2(H)	C(PCHO)(CH3)3	C(CCCP)(H)3	P(OC[6a])(CC3)2(H)	108.9578	2.537	6	108.9578	6.436	6	108.9578	6.436	6	109.0631	7.106	9	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:O-1:	C(PCOO)(CH3)3	C(CCCP)(H)3	P(OC[3x6])(CHHO)(CC3)(O)	C(PCOO)(CH3)3	C(CCCP)(H)3	P(OC[3x6])(CHHO)(CC3)(O)	109.2737	3.498	3	109.2737	12.235	3	109.2737	12.235	3	109.0631	7.106	9	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se-2:C-4:C-4:N-2:	C(PSeCN)(CH3)3	C(CCCP)(H)3	P(SeTe)(CC3)2(NP)	C(PSeCN)(CH3)3	C(CCCP)(H)3	P(SeTe)(CC3)2(NP)	110.2836	2.586	12	110.2836	6.689	12	110.2836	6.689	12	110.2836	6.689	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:4:4:3:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:N-3:	C(PCNN)(CH3)3	C(CCCP)(H)3	P(NC[6a])(CC3)2(NCN)	C(PCNN)(CH3)3	C(CCCP)(H)3	P(NC[6a])(CC3)2(NCN)	110.0568	3.566	12	110.0568	12.717	12	110.0568	12.717	12	110.0568	12.717	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:C-4:	C(PCCN)(CH3)3	C(CCCP)(H)3	P(NC[6a])(CHHN)(CC3)2	C(PCCN)(CH3)3	C(CCCP)(H)3	P(NC[6a])(CHHN)(CC3)2	110.2180	2.755	12	110.2180	7.593	12	110.2180	7.593	12	110.4437	2.883	52	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O-2:C-4:B-4:C-4:	C(PBCO)(CH3)3	C(CCCP)(H)3	P(OC[3x6])(CHHO)(BH3)(CC3)	C(PBCO)(CH3)3	C(CCCP)(H)3	P(OC[3x6])(CHHO)(BH3)(CC3)	108.8767	2.001	6	108.8767	4.005	6	108.8767	4.005	6	110.4437	2.883	52	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	S-2:C-4:C-4:C-4:	C(PCCS)(CH3)3	C(CCCP)(H)3	P(SC[6a])(CC3)3	C(PCCS)(CH3)3	C(CCCP)(H)3	P(SC[6a])(CC3)3	110.8327	0.883	18	110.8327	0.780	18	110.8327	0.780	18	110.4437	2.883	52	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	2:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se-2:C-4:C-4:C-4:	C(PSeCC)(CH3)3	C(CCCP)(H)3	P(SeC[6a])(CC3)3	C(PSeCC)(CH3)3	C(CCCP)(H)3	P(SeC[6a])(CC3)3	110.7631	0.839	16	110.7631	0.703	16	110.7631	0.703	16	110.4437	2.883	52	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:2:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:S-2:C-4:S-1:	C(PC[6a]SS)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(SC[6])(CC3)(S)	C(PC[6a]SS)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(SC[6])(CC3)(S)	109.0640	3.081	3	109.0640	9.493	3	109.0640	9.493	3	109.1872	5.509	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:2:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:Se-2:C-4:Se-1:	C(PC[6a]Se2)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(SeC[6a])(CC3)(Se)	C(PC[6a]Se2)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(SeC[6a])(CC3)(Se)	109.3103	2.057	3	109.3103	4.233	3	109.3103	4.233	3	109.1872	5.509	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:2:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-2:B-4:C-4:	C(PC[6a]BN)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(NC[5])(BH3)(CC3)	C(PC[6a]BN)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(NC[5])(BH3)(CC3)	109.2943	1.612	3	109.2943	2.598	3	109.2943	2.598	3	109.2943	2.598	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:3:2:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:N[5]-3:Se-2:C-4:	C(PN[5]2Se)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]2)2(SeC[6a])(CC3)	C(PN[5]2Se)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]2)2(SeC[6a])(CC3)	109.6977	4.458	3	109.6977	19.872	3	109.6977	19.872	3	109.6977	19.872	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:3:3:4:	P-4:B-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(BH3)(CH3)2	C(CBCP)(H)3	P(C[6a]C[6a]2)3(CBCC)	C(PC[6a]3)(BH3)(CH3)2	C(CBCP)(H)3	P(C[6a]C[6a]2)3(CBCC)	109.5090	0.287	2	109.5090	0.082	2	109.5090	0.082	2	109.5410	1.315	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:3:3:4:	P-4:Ge-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(GeBHH)(CH3)2	C(CGeCP)(H)3	P(C[6a]C[6a]2)3(CGeCC)	C(PC[6a]3)(GeBHH)(CH3)2	C(CGeCP)(H)3	P(C[6a]C[6a]2)3(CGeCC)	110.7115	1.042	2	110.7115	1.085	2	109.5570	2.162	4	109.5410	1.315	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:3:3:4:	P-4:Ge-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C(PC[6a]3)(GeCl2W)(CH3)2	C(CGeCP)(H)3	P(C[6a]C[6a]2)3(CGeCC)	C(PC[6a]3)(GeCl2W)(CH3)2	C(CGeCP)(H)3	P(C[6a]C[6a]2)3(CGeCC)	108.4025	0.267	2	108.4025	0.071	2	109.5570	2.162	4	109.5410	1.315	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:3:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:O-1:	C(PC[5]2O)(CH3)3	C(CCCP)(H)3	P(C[5]N[5]2)2(CC3)(O)	C(PC[5]2O)(CH3)3	C(CCCP)(H)3	P(C[5]N[5]2)2(CC3)(O)	108.4323	5.868	3	108.4323	34.439	3	108.4323	34.439	3	108.8051	17.981	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:3:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C(PC[6a]2H)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)2(CC3)(H)	C(PC[6a]2H)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)2(CC3)(H)	108.6814	4.545	9	108.6814	20.660	9	108.6814	20.660	9	108.8051	17.981	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:3:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-1:	C(PC[6a]2O)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)2(CC3)(O)	C(PC[6a]2O)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)2(CC3)(O)	109.2010	4.557	6	109.2010	20.765	6	109.2010	20.765	6	108.8051	17.981	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:3:4:1:	P-4:S-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:S-1:	C(PC[6a]2S)(SC[6a]OO)(CH3)2	C(CCPS)(H)3	P(C[6a]C[6a]2)2(CCCS)(S)	C(PC[6a]2S)(SC[6a]OO)(CH3)2	C(CCPS)(H)3	P(C[6a]C[6a]2)2(CCCS)(S)	108.7325	1.469	2	108.7325	2.157	2	108.7325	2.157	2	108.8051	17.981	20	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:3:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C[5]-3:C-4:C-4:	C(PC[5]2C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2)2(CC3)(CH3)	C(PC[5]2C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2)2(CC3)(CH3)	109.7037	2.054	3	109.7037	4.217	3	109.7037	4.217	3	109.7037	4.217	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-3:C-4:Cl-1:Cl-1:	C(PCl2C)(CH3)3	C(CCCP)(H)3	P(CC[6a]C)(CC3)(Cl)2	C(PCl2C)(CH3)3	C(CCCP)(H)3	P(CC[6a]C)(CC3)(Cl)2	108.4147	1.683	3	108.4147	2.831	3	108.4147	2.831	3	108.6938	3.974	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:O-1:	C(PC[5a]HO)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]N[5a])(CC3)(H)(O)	C(PC[5a]HO)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]N[5a])(CC3)(H)(O)	108.4837	1.691	3	108.4837	2.859	3	108.6078	3.525	9	108.6938	3.974	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:O-1:	C(PC[5a]HO)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	C(PC[5a]HO)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	108.6597	2.254	3	108.6597	5.079	3	108.6078	3.525	9	108.6938	3.974	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:H-1:O-1:	C(PC[5a]HO)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)(CC3)(H)(O)	C(PC[5a]HO)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)(CC3)(H)(O)	108.6800	2.475	3	108.6800	6.126	3	108.6078	3.525	9	108.6938	3.974	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:Cl-1:O-1:	C(PC[6a]ClO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(Cl)(O)	C(PC[6a]ClO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(Cl)(O)	108.5943	3.612	3	108.5943	13.048	3	108.5943	13.048	3	108.6938	3.974	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:Cl-1:S-1:	C(PC[6a]ClS)(CCHH)(CH3)2	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(Cl)(S)	C(PC[6a]ClS)(CCHH)(CH3)2	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(Cl)(S)	108.3930	3.610	2	108.3930	13.036	2	108.3930	13.036	2	108.6938	3.974	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:O-1:S-1:	C(PC[6a]OS)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(O)(S)	C(PC[6a]OS)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(O)(S)	109.1125	1.604	6	109.1125	2.574	6	109.1125	2.574	6	108.6938	3.974	23	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:2:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-2:O-1:	C(PC[5a]OO)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]N[5a])(CC3)(OH)(O)	C(PC[5a]OO)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]N[5a])(CC3)(OH)(O)	109.2970	1.398	3	109.2970	1.955	3	109.2970	1.955	3	109.1137	2.375	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:2:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:S-2:Se-1:	C(PC[6a]SeS)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(SC)(Se)	C(PC[6a]SeS)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(SC)(Se)	108.9303	1.970	3	108.9303	3.881	3	108.9303	3.881	3	109.1137	2.375	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:2:2:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	O-3:C-4:O-2:O-2:	C(CH3)3(PO3)	C(CCCP)(H)3	P(OZn2)(CC3)(OZn)2	C(CH3)3(PO3)	C(CCCP)(H)3	P(OZn2)(CC3)(OZn)2	109.7264	0.913	9	109.7264	0.834	9	109.7264	0.834	9	109.7264	0.834	9	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:3:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(CCH)(O)	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(CCH)(O)	109.4920	2.392	3	109.4920	5.724	3	109.4920	5.724	3	109.0493	4.092	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:3:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:O-1:	C(PC[6a]NO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(NCH)(O)	C(PC[6a]NO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(NCH)(O)	109.0210	2.779	6	109.0210	7.722	6	108.9386	4.100	12	109.0493	4.092	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:3:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:O-1:	C(PC[6a]NO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(NHH)(O)	C(PC[6a]NO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(NHH)(O)	109.0303	1.208	3	109.0303	1.458	3	108.9386	4.100	12	109.0493	4.092	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:3:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:N-3:O-1:	C(PC[6a]NO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(NHS)(O)	C(PC[6a]NO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(NHS)(O)	108.6820	1.287	3	108.6820	1.657	3	108.9386	4.100	12	109.0493	4.092	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:O-1:	C(PC[5a]CO)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)(CC3)2(O)	C(PC[5a]CO)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)(CC3)2(O)	109.8562	4.506	6	109.8562	20.300	6	109.8562	20.300	6	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:B-4:C-4:O-1:	C(PC[6a]BO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(BH3)(CC3)(O)	C(PC[6a]BO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(BH3)(CC3)(O)	109.5487	1.934	3	109.5487	3.741	3	109.5487	3.741	3	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:H-1:	C(PC[6a]CH)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(H)	C(PC[6a]CH)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(H)	109.2308	3.030	24	109.2308	9.181	24	109.2308	9.181	24	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a,6a]C[6a])(CC3)2(O)	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a,6a]C[6a])(CC3)2(O)	109.9565	5.315	6	109.9565	28.253	6	109.8771	19.425	27	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(O)	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(O)	110.2048	5.207	12	110.2048	27.113	12	109.8771	19.425	27	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CCCH)(CC3)(O)	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CCCH)(CC3)(O)	109.4600	1.721	3	109.4600	2.963	3	109.8771	19.425	27	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-1:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC[6a]HO)(CC3)(O)	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC[6a]HO)(CC3)(O)	109.3508	3.350	6	109.3508	11.220	6	109.8771	19.425	27	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C-4:O-1:	C(PC[6a]C[6]O)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC3)(O)	C(PC[6a]C[6]O)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(C[6]C[6]2H)(CC3)(O)	109.4940	2.816	3	109.4940	7.928	3	109.4940	7.928	3	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:P-4:C-4:S-1:	C(PC[6a]PS)(CCHH)(CH3)2	C(CCCP)(H)3	P(C[6a]C[6a]2)(PC[6a]CS)(CC3)(S)	C(PC[6a]PS)(CCHH)(CH3)2	C(CCCP)(H)3	P(C[6a]C[6a]2)(PC[6a]CS)(CC3)(S)	108.3830	6.927	2	108.3830	47.981	2	108.3830	47.981	2	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:H-1:	C(PCHN)(CH3)3	C(CCCP)(H)3	P(NAlH)(CC3)2(H)	C(PCHN)(CH3)3	C(CCCP)(H)3	P(NAlH)(CC3)2(H)	109.3451	3.066	12	109.3451	9.401	12	109.3451	9.401	12	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:O-1:	C(PCNO)(CH3)3	C(CCCP)(H)3	P(NC[6]H)(CC3)2(O)	C(PCNO)(CH3)3	C(CCCP)(H)3	P(NC[6]H)(CC3)2(O)	109.8640	3.957	6	109.8640	15.661	6	109.8640	15.661	6	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:O-1:	C(PN[5]CO)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]2)(CC3)2(O)	C(PN[5]CO)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]2)(CC3)2(O)	109.7423	5.602	6	109.7423	31.381	6	109.7423	31.381	6	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:O-1:	C(PN[5a]CO)(CH3)3	C(CCCP)(H)3	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	C(PN[5a]CO)(CH3)3	C(CCCP)(H)3	P(N[5a]C[5a,6a]C[5a])(CC3)2(O)	110.0611	5.621	60	110.0611	31.596	60	110.0611	31.596	60	109.7630	21.018	149	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:N-2:	C(PC[6a]CN)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(NH)	C(PC[6a]CN)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(NH)	110.2942	5.671	6	110.2942	32.162	6	110.2942	32.162	6	109.9631	15.298	105	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(OB)	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(OB)	109.9560	3.020	12	109.9560	9.121	12	110.0393	18.179	63	109.9631	15.298	105	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(OMg)	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(OMg)	110.2293	4.960	12	110.2293	24.606	12	110.0393	18.179	63	109.9631	15.298	105	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(OPd)	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2(OPd)	110.1741	4.603	30	110.1741	21.191	30	110.0393	18.179	63	109.9631	15.298	105	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]N[6a])(CC3)(CH3)(OPd)	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]N[6a])(CC3)(CH3)(OPd)	108.5500	2.511	3	108.5500	6.307	3	110.0393	18.179	63	109.9631	15.298	105	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]N[5,6a]C[6a])(CC3)2(OPd)	C(PC[6a]CO)(CH3)3	C(CCCP)(H)3	P(C[6a]N[5,6a]C[6a])(CC3)2(OPd)	109.8970	4.921	6	109.8970	24.219	6	110.0393	18.179	63	109.9631	15.298	105	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:O-2:	C(PN[5]CO)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]2)(CC3)2(OAl)	C(PN[5]CO)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]2)(CC3)2(OAl)	109.4106	2.756	24	109.4106	7.596	24	109.6427	7.721	30	109.9631	15.298	105	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:O-2:	C(PN[5]CO)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]2)(CC3)2(OB)	C(PN[5]CO)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]2)(CC3)2(OB)	110.5712	2.923	6	110.5712	8.544	6	109.6427	7.721	30	109.9631	15.298	105	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:N-2:	C(PN[6]CN)(CH3)3	C(CCCP)(H)3	P(N[6]C[6]2)(CC3)2(NN)	C(PN[6]CN)(CH3)3	C(CCCP)(H)3	P(N[6]C[6]2)(CC3)2(NN)	110.4342	3.841	6	110.4342	14.754	6	110.4342	14.754	6	109.9631	15.298	105	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:3:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:B-4:C-4:N-3:	C(PC[6a]BN)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(BH3)(CC3)(NCC)	C(PC[6a]BN)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(BH3)(CC3)(NCC)	110.1200	4.132	3	110.1200	17.074	3	109.7235	7.843	6	109.7235	7.843	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:3:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:B-4:C-4:N-3:	C(PC[6a]BN)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(BH3)(CC3)(NCH)	C(PC[6a]BN)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(BH3)(CC3)(NCH)	109.3270	1.436	3	109.3270	2.061	3	109.7235	7.843	6	109.7235	7.843	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5a]-3:C-4:C-4:C-4:	C(PB[5a]CC)(CH3)3	C(CCCP)(H)3	P(B[5a]O[5a]2)(CC3)3	C(PB[5a]CC)(CH3)3	C(CCCP)(H)3	P(B[5a]O[5a]2)(CC3)3	110.4390	0.667	9	110.4390	0.445	9	110.4390	0.445	9	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[6]-3:C-4:C-4:C-4:	C(PB[6]CC)(CH3)3	C(CCCP)(H)3	P(B[6]C[6]2)(CCCH)(CC3)2	C(PB[6]CC)(CH3)3	C(CCCP)(H)3	P(B[6]C[6]2)(CCCH)(CC3)2	110.2045	3.080	6	110.2045	9.486	6	110.2045	9.486	6	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:C-4:	C(PC[5]CC)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2)(CC3)2(CH3)	C(PC[5]CC)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2)(CC3)2(CH3)	110.0872	3.193	6	110.0872	10.193	6	110.0872	10.193	6	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:B-4:C-4:C-4:	C(PC[5a]BC)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]S[5a])(BH3)(CC3)(CH3)	C(PC[5a]BC)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]S[5a])(BH3)(CC3)(CH3)	108.9657	2.602	3	108.9657	6.772	3	108.9657	6.772	3	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:B-4:C-4:	C(PC[5a]BC)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]S[5a])(CBrHH)(BH3)(CC3)	C(PC[5a]BC)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]S[5a])(CBrHH)(BH3)(CC3)	108.8187	3.347	3	108.8187	11.199	3	108.8187	11.199	3	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(PC[5a]CC)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)(CC3)2(CH3)	C(PC[5a]CC)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)(CC3)2(CH3)	109.8648	3.093	6	109.8648	9.565	6	110.0193	9.143	18	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:C-4:	C(PC[5a]CC)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)(CPdHH)(CC3)2	C(PC[5a]CC)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)(CPdHH)(CC3)2	110.0966	3.125	12	110.0966	9.763	12	110.0193	9.143	18	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C(PC[6]CC)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2)(CC3)3	C(PC[6]CC)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2)(CC3)3	111.5179	1.424	9	111.5179	2.029	9	110.6671	5.562	21	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C(PC[6]CC)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2)(CCHH)(CC3)2	C(PC[6]CC)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2)(CCHH)(CC3)2	110.3938	2.830	6	110.3938	8.006	6	110.6671	5.562	21	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:C-4:	C(PC[6]CC)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2)(CZrOO)(CC3)2	C(PC[6]CC)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2)(CZrOO)(CC3)2	109.6642	2.898	6	109.6642	8.397	6	110.6671	5.562	21	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:B-4:C-4:C-4:	C(PC[6a]BC)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(BH3)(CC3)(CH3)	C(PC[6a]BC)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(BH3)(CC3)(CH3)	109.3882	1.981	6	109.3882	3.925	6	109.3882	3.925	6	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:B-4:C-4:	C(PC[6a]BC)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(CC3)	C(PC[6a]BC)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC[6a]HH)(BH3)(CC3)	109.7002	2.250	12	109.7002	5.061	12	109.7002	5.061	12	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)3	C(PC[6a]CC)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)3	111.1804	1.575	9	111.1804	2.480	9	110.7982	4.571	24	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CCHH)(CC3)2	C(PC[6a]CC)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CCHH)(CC3)2	110.6295	3.684	6	110.6295	13.569	6	110.7982	4.571	24	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C(PC[6a]CC)(CH3)3	C(CCCP)(H)3	P(C[6a]O[6a]2)(CC3)3	C(PC[6a]CC)(CH3)3	C(CCCP)(H)3	P(C[6a]O[6a]2)(CC3)3	110.5286	1.383	9	110.5286	1.914	9	110.7982	4.571	24	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:B-4:C-4:C-4:	C(PBCN)(CH3)3	C(CCCP)(H)3	P(NC[5]H)(BH3)(CC3)(CH3)	C(PBCN)(CH3)3	C(CCCP)(H)3	P(NC[5]H)(BH3)(CC3)(CH3)	109.2863	1.624	6	109.2863	2.636	6	109.4836	4.563	9	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	3:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:B-4:C-4:C-4:	C(PBCN)(CH3)3	C(CCCP)(H)3	P(NC[6a]2)(BH3)(CC3)(CH3)	C(PBCN)(CH3)3	C(CCCP)(H)3	P(NC[6a]2)(BH3)(CC3)(CH3)	109.8780	3.363	3	109.8780	11.311	3	109.4836	4.563	9	110.1765	5.670	117	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:1:1:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-1:O-1:O-1:	C(CH3)(NH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(O)3	C(CH3)(NH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(O)3	110.5965	0.979	6	110.5965	0.959	6	110.5965	0.959	6	110.5965	0.959	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:1:1:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OH)(O)2	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OH)(O)2	109.0451	0.888	49	109.0451	0.788	49	108.9779	1.197	61	109.4035	1.519	100	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:1:1:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OSb)(O)2	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OSb)(O)2	108.7034	1.729	12	108.7034	2.991	12	108.9779	1.197	61	109.4035	1.519	100	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:1:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CH3)(NH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(OH)(O)2	C(CH3)(NH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(OH)(O)2	109.7238	0.884	31	109.7238	0.782	31	109.7238	0.782	31	109.4035	1.519	100	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:1:1:	N-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(NCHH)(CH3)2(PO3)	C(CCNP)(H)3	P(CCCN)(OC)(O)2	C(NCHH)(CH3)2(PO3)	C(CCNP)(H)3	P(CCCN)(OC)(O)2	111.5600	2.179	2	111.5600	4.749	2	111.5600	4.749	2	109.4035	1.519	100	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:1:1:	N-4:C-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(NNiHH)(CH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(ONi)(O)2	C(NNiHH)(CH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(ONi)(O)2	111.8003	0.716	4	111.8003	0.513	4	111.3572	0.782	6	109.4035	1.519	100	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:1:1:	N-4:C-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(NZnHH)(CH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(OZn)(O)2	C(NZnHH)(CH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(OZn)(O)2	110.4710	0.116	2	110.4710	0.013	2	111.3572	0.782	6	109.4035	1.519	100	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OH)2(O)	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OH)2(O)	109.0087	0.731	6	109.0087	0.535	6	108.9732	0.446	40	109.8577	1.897	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OMn)(OH)(O)	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OMn)(OH)(O)	109.3169	0.894	9	109.3169	0.798	9	108.9732	0.446	40	109.8577	1.897	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OSb)2(O)	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OSb)2(O)	108.7717	0.517	22	108.7717	0.267	22	108.9732	0.446	40	109.8577	1.897	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OSn)2(O)	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OSn)2(O)	109.3483	0.413	3	109.3483	0.171	3	108.9732	0.446	40	109.8577	1.897	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:C-4:N-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)2(NH3)(PO3)	C(CCNP)(H)3	P(CCCN)(OFe)2(O)	C(CH3)2(NH3)(PO3)	C(CCNP)(H)3	P(CCCN)(OFe)2(O)	111.2115	1.036	21	111.2115	1.073	21	111.2115	1.073	21	109.8577	1.897	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(NH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(OCu)(OH)(O)	C(CH3)(NH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(OCu)(OH)(O)	111.6365	0.271	2	111.6365	0.073	2	110.8967	1.679	3	109.8577	1.897	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	C-4:N-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CH3)(NH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(OH)2(O)	C(CH3)(NH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(OH)2(O)	109.4170	0.000	1	109.4170	0.000	1	110.8967	1.679	3	109.8577	1.897	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:1:	N-4:C-4:P-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(NNiHH)(CH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(ONi)(OH)(O)	C(NNiHH)(CH3)(PO3)2	C(CNPP)(H)3	P(CCNP)(ONi)(OH)(O)	111.7735	0.861	2	111.7735	0.741	2	111.7735	0.741	2	109.8577	1.897	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:2:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OCo)3	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OCo)3	109.8120	0.214	3	109.8120	0.046	3	109.3972	1.015	33	109.3972	1.015	33	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:2:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OFe)2(OH)	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OFe)2(OH)	109.4020	2.182	3	109.4020	4.762	3	109.3972	1.015	33	109.3972	1.015	33	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:2:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OFe)3	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OFe)3	108.9697	1.319	9	108.9697	1.739	9	109.3972	1.015	33	109.3972	1.015	33	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:2:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OMn)2(OH)	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OMn)2(OH)	109.2022	0.469	6	109.2022	0.220	6	109.3972	1.015	33	109.3972	1.015	33	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:2:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OMn)3	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OMn)3	110.2400	0.744	3	110.2400	0.554	3	109.3972	1.015	33	109.3972	1.015	33	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:2:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OSn)2(OH)	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OSn)2(OH)	109.4100	0.748	3	109.4100	0.560	3	109.3972	1.015	33	109.3972	1.015	33	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:2:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OZn)3	C(CH3)3(PO3)	C(CCCP)(H)3	P(CC3)(OZn)3	109.5958	0.420	6	109.5958	0.177	6	109.3972	1.015	33	109.3972	1.015	33	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:2:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:O-2:O-2:C-4:	C(PBOO)(CH3)3	C(CCCP)(H)3	P(BC[6a]3)(OC[6a])2(CC3)	C(PBOO)(CH3)3	C(CCCP)(H)3	P(BC[6a]3)(OC[6a])2(CC3)	110.1390	1.807	6	110.1390	3.267	6	110.1390	3.267	6	110.1390	3.267	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:O-2:B-4:C-4:	C(PBCO)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(OC[3x6])(BH3)(CC3)	C(PBCO)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(OC[3x6])(BH3)(CC3)	109.1883	1.786	3	109.1883	3.189	3	109.1883	3.189	3	109.6551	1.615	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:2:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:Se-2:C-4:C-4:	C(PC[5]SeC)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SeSe)(CC3)2	C(PC[5]SeC)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SeSe)(CC3)2	109.7718	1.184	12	109.7718	1.401	12	109.7718	1.401	12	109.6551	1.615	15	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:3:2:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:N-3:N-2:O-1:	C(PNNO)(CH3)3	C(CCCP)(H)3	P(CC3)(NCH)(NC)(O)	C(PNNO)(CH3)3	C(CCCP)(H)3	P(CC3)(NCH)(NC)(O)	109.0022	1.758	12	109.0022	3.090	12	109.0022	3.090	12	109.0022	3.090	12	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:3:3:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:N-3:N-3:O-1:	C(PNNO)(CH3)3	C(CCCP)(H)3	P(CC3)(NCH)2(O)	C(PNNO)(CH3)3	C(CCCP)(H)3	P(CC3)(NCH)2(O)	109.0633	1.681	24	109.0633	2.826	24	109.0633	2.826	24	109.0633	2.826	24	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:3:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:N-3:C-4:C-4:	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CCHH)(NSnN)(CC3)2	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CCHH)(NSnN)(CC3)2	110.1622	2.451	6	110.1622	6.005	6	110.1622	6.005	6	110.1622	6.005	6	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:1:1:	C-4:P-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(PCHH)(CH3)2	C(CCCP)(H)3	P(CC3)2(H)2	C(CCHH)(PCHH)(CH3)2	C(CCCP)(H)3	P(CC3)2(H)2	108.2684	2.818	8	108.2684	7.939	8	108.2684	7.939	8	108.4147	4.766	47	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:H-1:	C(PCHH)(CH3)3	C(CCCP)(H)3	P(CC3)2(H)2	C(PCHH)(CH3)3	C(CCCP)(H)3	P(CC3)2(H)2	108.9330	2.919	6	108.9330	8.522	6	108.9330	8.522	6	108.4147	4.766	47	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:H-1:O-1:	C(PCHO)(CH3)3	C(CCCP)(H)3	P(CC3)2(H)(O)	C(PCHO)(CH3)3	C(CCCP)(H)3	P(CC3)2(H)(O)	109.2007	4.757	3	109.2007	22.626	3	109.2007	22.626	3	108.4147	4.766	47	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:I-1:I-1:	C(PCII)(CH3)3	C(CCCP)(H)3	P(CCCH)(CC3)(I)2	C(PCII)(CH3)3	C(CCCP)(H)3	P(CCCH)(CC3)(I)2	108.3468	1.284	18	108.3468	1.649	18	108.3468	1.649	18	108.4147	4.766	47	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-1:H-1:	C(PSeCH)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(CC3)(Se)(H)	C(PSeCH)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(CC3)(Se)(H)	108.5965	1.085	6	108.5965	1.177	6	108.5965	1.177	6	108.4147	4.766	47	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:O-1:	C(PC[5]HO)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)(H)(O)	C(PC[5]HO)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)(H)(O)	108.3573	1.639	3	108.3573	2.685	3	108.3573	2.685	3	108.4147	4.766	47	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:1:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:Cl-1:Cl-1:	C(PCl2Ga)(CH3)3	C(CCCP)(H)3	P(GaCl3)(CC3)(Cl)2	C(PCl2Ga)(CH3)3	C(CCCP)(H)3	P(GaCl3)(CC3)(Cl)2	107.0833	3.692	3	107.0833	13.630	3	107.0833	13.630	3	108.4147	4.766	47	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:I-1:	C(PCIN)(CH3)3	C(CCCP)(H)3	P(CC3)2(NP)(I)	C(PCIN)(CH3)3	C(CCCP)(H)3	P(CC3)2(NP)(I)	109.8530	3.423	12	109.8530	11.716	12	109.8530	11.716	12	109.7153	10.735	50	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:Se-1:	C(PSeCN)(CH3)3	C(CCCP)(H)3	P(CC3)2(NP)(Se)	C(PSeCN)(CH3)3	C(CCCP)(H)3	P(CC3)2(NP)(Se)	110.1803	3.273	6	110.1803	10.715	6	110.1803	10.715	6	109.7153	10.735	50	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C(PCHO)(CH3)3	C(CCCP)(H)3	P(CC3)(CH3)(OB)(H)	C(PCHO)(CH3)3	C(CCCP)(H)3	P(CC3)(CH3)(OB)(H)	108.2157	1.590	3	108.2157	2.528	3	108.9300	9.228	15	109.7153	10.735	50	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C(PCHO)(CH3)3	C(CCCP)(H)3	P(CC3)2(OB)(H)	C(PCHO)(CH3)3	C(CCCP)(H)3	P(CC3)2(OB)(H)	109.1677	2.753	6	109.1677	7.578	6	108.9300	9.228	15	109.7153	10.735	50	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:H-1:	C(PCHO)(CH3)3	C(CCCP)(H)3	P(CC3)2(OLi)(H)	C(PCHO)(CH3)3	C(CCCP)(H)3	P(CC3)2(OLi)(H)	109.0495	4.106	6	109.0495	16.858	6	108.9300	9.228	15	109.7153	10.735	50	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-1:	C(PCOO)(CH3)3	C(CCCP)(H)3	P(CC3)2(OC)(O)	C(PCOO)(CH3)3	C(CCCP)(H)3	P(CC3)2(OC)(O)	110.1470	3.539	17	110.1470	12.527	17	110.1470	12.527	17	109.7153	10.735	50	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-2:N-2:	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CC3)2(CC)(NP)	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CC3)2(CC)(NP)	109.7266	3.251	18	109.7266	10.567	18	109.7266	10.567	18	109.8535	6.374	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:N-2:	C(PCNO)(CH3)3	C(CCCP)(H)3	P(CC3)2(OAl)(NC)	C(PCNO)(CH3)3	C(CCCP)(H)3	P(CC3)2(OAl)(NC)	109.8106	2.042	12	109.8106	4.169	12	109.8106	4.169	12	109.8535	6.374	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:O-2:O-2:	C(PCOO)(CH3)3	C(CCCP)(H)3	P(CC3)2(OAl)(OC)	C(PCOO)(CH3)3	C(CCCP)(H)3	P(CC3)2(OAl)(OC)	109.5960	1.510	6	109.5960	2.279	6	109.5960	2.279	6	109.8535	6.374	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:S-2:N-2:	C(PCNS)(CH3)3	C(CCCP)(H)3	P(CC3)2(SRu)(NP)	C(PCNS)(CH3)3	C(CCCP)(H)3	P(CC3)2(SRu)(NP)	110.1526	2.586	24	110.1526	6.687	24	110.1526	6.687	24	109.8535	6.374	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:O-2:O-2:	C(PC[6]OO)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2Ru)(CC3)(OZn)2	C(PC[6]OO)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2Ru)(CC3)(OZn)2	109.3812	1.973	6	109.3812	3.892	6	109.3812	3.892	6	109.8535	6.374	66	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:2:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:C-4:	C(PSeCC)(CH3)3	C(CCCP)(H)3	P(CCCH)2(SeAu)(CC3)	C(PSeCC)(CH3)3	C(CCCP)(H)3	P(CCCH)2(SeAu)(CC3)	110.0510	0.849	3	110.0510	0.720	3	110.0510	0.720	3	110.0510	0.720	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:3:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:H-1:	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC3)2(CCC)(H)	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC3)2(CCC)(H)	109.1630	3.836	6	109.1630	14.715	6	109.1630	14.715	6	109.6561	16.924	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:3:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:O-1:	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CC3)2(CSS)(O)	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CC3)2(CSS)(O)	109.8355	5.257	6	109.8355	27.637	6	109.8355	27.637	6	109.6561	16.924	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:3:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:Se-1:	C(PSeCC)(CH3)3	C(CCCP)(H)3	P(CC3)2(CSS)(Se)	C(PSeCC)(CH3)3	C(CCCP)(H)3	P(CC3)2(CSS)(Se)	109.9698	3.839	6	109.9698	14.740	6	109.9698	14.740	6	109.6561	16.924	18	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:B-4:C-4:H-1:	C(PBBH)(CH3)3	C(CCCP)(H)3	P(BC[6a]3)(BH3)(CC3)(H)	C(PBBH)(CH3)3	C(CCCP)(H)3	P(BC[6a]3)(BH3)(CC3)(H)	109.7213	3.491	3	109.7213	12.185	3	109.7213	12.185	3	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C(PBCH)(CH3)3	C(CCCP)(H)3	P(BC[6a]3)(CC3)2(H)	C(PBCH)(CH3)3	C(CCCP)(H)3	P(BC[6a]3)(CC3)2(H)	110.4827	3.407	6	110.4827	11.610	6	109.6981	7.883	42	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C(PBCH)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)2(H)	C(PBCH)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)2(H)	109.4947	3.808	6	109.4947	14.502	6	109.6981	7.883	42	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:H-1:	C(PBCH)(CH3)3	C(CCCP)(H)3	P(BHHP)(CC3)2(H)	C(PBCH)(CH3)3	C(CCCP)(H)3	P(BHHP)(CC3)2(H)	109.5819	2.548	30	109.5819	6.492	30	109.6981	7.883	42	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:O-1:	C(PBCO)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)(CH3)(O)	C(PBCO)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)(CH3)(O)	109.6240	1.511	6	109.6240	2.283	6	109.6240	2.283	6	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5]-4:C-4:C-4:H-1:	C(PB[5]CH)(CH3)3	C(CCCP)(H)3	P(B[5]C[5,6a]2H)(CC3)2(H)	C(PB[5]CH)(CH3)3	C(CCCP)(H)3	P(B[5]C[5,6a]2H)(CC3)2(H)	109.6107	3.029	6	109.6107	9.176	6	109.6107	9.176	6	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:B-4:C-4:Cl-1:	C(PClBC)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(BH3)(CC3)(Cl)	C(PClBC)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(BH3)(CC3)(Cl)	107.9230	3.790	3	107.9230	14.366	3	107.9230	14.366	3	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Br-1:	C(PBrCC)(CH3)3	C(CCCP)(H)3	P(CC3)3(Br)	C(PBrCC)(CH3)3	C(CCCP)(H)3	P(CC3)3(Br)	110.4879	0.955	9	110.4879	0.912	9	110.4879	0.912	9	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:F-1:	C(PCCF)(CH3)3	C(CCCP)(H)3	P(CC3)3(F)	C(PCCF)(CH3)3	C(CCCP)(H)3	P(CC3)3(F)	110.3179	0.644	9	110.3179	0.415	9	110.3179	0.415	9	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CBHH)(CC3)2(H)	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CBHH)(CC3)2(H)	109.4758	2.490	18	109.4758	6.201	18	110.0640	3.125	311	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC3)2(CH3)(H)	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC3)2(CH3)(H)	109.4050	2.251	6	109.4050	5.068	6	110.0640	3.125	311	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC3)3(H)	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC3)3(H)	110.2904	1.560	239	110.2904	2.434	239	110.0640	3.125	311	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CCHH)(CC3)2(H)	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CCHH)(CC3)2(H)	108.9273	2.662	6	108.9273	7.088	6	110.0640	3.125	311	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CCHO)(CC3)2(H)	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CCHO)(CC3)2(H)	108.9810	2.402	6	108.9810	5.771	6	110.0640	3.125	311	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC[6a]2H)(CC3)2(H)	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC[6a]2H)(CC3)2(H)	109.8657	1.011	6	109.8657	1.022	6	110.0640	3.125	311	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(CC3)2(H)	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(CC3)2(H)	109.2327	2.142	24	109.2327	4.586	24	110.0640	3.125	311	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:H-1:	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC[6a]HO)(CC3)2(H)	C(PCCH)(CH3)3	C(CCCP)(H)3	P(CC[6a]HO)(CC3)2(H)	109.2115	2.309	6	109.2115	5.333	6	110.0640	3.125	311	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:I-1:	C(PCCI)(CH3)3	C(CCCP)(H)3	P(CCHH)(CC3)2(I)	C(PCCI)(CH3)3	C(CCCP)(H)3	P(CCHH)(CC3)2(I)	109.4615	2.382	6	109.4615	5.673	6	109.4615	5.673	6	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CC[6]HH)(CC3)2(O)	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CC[6]HH)(CC3)2(O)	110.2407	3.939	6	110.2407	15.516	6	110.1761	9.705	54	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(CC3)2(O)	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(CC3)2(O)	110.1141	3.021	24	110.1141	9.128	24	110.1761	9.705	54	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-1:	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CHHP)(CC3)2(O)	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CHHP)(CC3)2(O)	110.2220	3.139	24	110.2220	9.855	24	110.1761	9.705	54	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-1:	C(PCCS)(CH3)3	C(CCCP)(H)3	P(CCHH)(CC3)(CH3)(S)	C(PCCS)(CH3)3	C(CCCP)(H)3	P(CCHH)(CC3)(CH3)(S)	109.2061	1.173	9	109.2061	1.377	9	109.2061	1.377	9	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:H-1:	C(PC[5]CH)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]O[5]H)(CC3)2(H)	C(PC[5]CH)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]O[5]H)(CC3)2(H)	108.6680	2.784	6	108.6680	7.753	6	108.6680	7.753	6	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-1:	C(PC[5]CO)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)2(O)	C(PC[5]CO)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)2(O)	110.2543	3.083	6	110.2543	9.504	6	110.2543	9.504	6	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:S-1:	C(PC[5]CS)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)2(S)	C(PC[5]CS)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)2(S)	110.2480	2.455	24	110.2480	6.029	24	110.2480	6.029	24	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:Se-1:	C(PC[5]SeC)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)2(Se)	C(PC[5]SeC)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)2(Se)	110.1751	2.292	18	110.1751	5.253	18	110.1751	5.253	18	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C(PC[6]CH)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2H)(CC3)2(H)	C(PC[6]CH)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2H)(CC3)2(H)	109.0200	2.871	6	109.0200	8.245	6	109.0200	8.245	6	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:1:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:O-1:	C(PC[6]CO)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2H)(CC3)(CH3)(O)	C(PC[6]CO)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2H)(CC3)(CH3)(O)	109.7620	2.249	3	109.7620	5.057	3	109.7620	5.057	3	109.9962	4.584	521	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:N-2:	C(PBCN)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)(CH3)(NC)	C(PBCN)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)(CH3)(NC)	109.1110	2.234	3	109.1110	4.992	3	109.1110	4.992	3	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:O-2:	C(PBCO)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)(CH3)(OC)	C(PBCO)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)(CH3)(OC)	109.1890	2.729	3	109.1890	7.447	3	109.1890	7.447	3	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CC3)3(NB)	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CC3)3(NB)	111.1983	3.286	18	111.1983	10.796	18	110.8128	3.719	105	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CC3)3(NN)	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CC3)3(NN)	110.6929	1.246	78	110.6929	1.552	78	110.8128	3.719	105	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-2:	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CC3)3(NSi)	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CC3)3(NSi)	111.0817	3.150	9	111.0817	9.920	9	110.8128	3.719	105	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CC3)2(CH3)(OSn)	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CC3)2(CH3)(OSn)	110.0783	3.042	6	110.0783	9.256	6	110.5609	4.143	15	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CC3)3(OP)	C(PCCO)(CH3)3	C(CCCP)(H)3	P(CC3)3(OP)	110.8826	1.083	9	110.8826	1.174	9	110.5609	4.143	15	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C(PCCS)(CH3)3	C(CCCP)(H)3	P(CC3)3(SC)	C(PCCS)(CH3)3	C(CCCP)(H)3	P(CC3)3(SC)	110.9956	1.105	8	110.9956	1.222	8	110.5212	4.552	20	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-2:	C(PCCS)(CH3)3	C(CCCP)(H)3	P(CCHH)(CC3)2(SSn)	C(PCCS)(CH3)3	C(CCCP)(H)3	P(CCHH)(CC3)2(SSn)	110.2049	2.610	12	110.2049	6.813	12	110.5212	4.552	20	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:Se-2:	C(PSeCC)(CH3)3	C(CCCP)(H)3	P(CCCH)(CC3)2(SeI)	C(PSeCC)(CH3)3	C(CCCP)(H)3	P(CCCH)(CC3)2(SeI)	110.2195	1.470	12	110.2195	2.161	12	110.2195	2.161	12	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:2:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:N-2:	C(PC[5]CN)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)2(NSi)	C(PC[5]CN)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)2(NSi)	110.4002	3.354	24	110.4002	11.252	24	110.4002	11.252	24	110.6117	4.746	182	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CAlHH)(CC3)2(CNO)	C(CH3)3(PC3)	C(CCCP)(H)3	P(CAlHH)(CC3)2(CNO)	109.6060	3.489	6	109.6060	12.170	6	110.7396	3.000	105	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC3)2(CH3)(CCH)	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC3)2(CH3)(CCH)	110.1170	3.009	6	110.1170	9.054	6	110.7396	3.000	105	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC3)3(CCC)	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC3)3(CCC)	111.2641	1.505	36	111.2641	2.265	36	110.7396	3.000	105	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC3)3(CCH)	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC3)3(CCH)	110.8012	1.014	8	110.8012	1.028	8	110.7396	3.000	105	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC3)3(COO)	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC3)3(COO)	110.6253	1.175	43	110.6253	1.382	43	110.7396	3.000	105	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-3:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CCHH)(CC3)2(CCC)	C(CH3)3(PC3)	C(CCCP)(H)3	P(CCHH)(CC3)2(CCC)	110.0860	2.769	6	110.0860	7.666	6	110.7396	3.000	105	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-3:	C(PBCC)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)2(CNN)	C(PBCC)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)2(CNN)	109.7090	3.851	12	109.7090	14.832	12	109.7090	14.832	12	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:N-3:	C(PBCN)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)(CH3)(NCN)	C(PBCN)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)(CH3)(NCN)	109.8515	3.023	6	109.8515	9.136	6	110.0241	10.058	36	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:N-3:	C(PBCN)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)2(NBH)	C(PBCN)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)2(NBH)	110.0528	3.226	24	110.0528	10.408	24	110.0241	10.058	36	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:N-3:	C(PBCN)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)2(NHH)	C(PBCN)(CH3)3	C(CCCP)(H)3	P(BH3)(CC3)2(NHH)	110.0823	3.654	6	110.0823	13.350	6	110.0241	10.058	36	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CC3)3(NHN)	C(PCCN)(CH3)3	C(CCCP)(H)3	P(CC3)3(NHN)	110.8122	1.616	9	110.8122	2.611	9	110.8122	2.611	9	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:3:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-3:	C(PCCS)(CH3)3	C(CCCP)(H)3	P(CC3)3(SOO)	C(PCCS)(CH3)3	C(CCCP)(H)3	P(CC3)3(SOO)	110.4552	1.203	9	110.4552	1.447	9	110.4552	1.447	9	110.5055	5.190	171	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CCCH)(CC3)3	C(CH3)3(PC3)	C(CCCP)(H)3	P(CCCH)(CC3)3	110.5776	1.951	9	110.5776	3.807	9	110.6873	1.663	144	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CCHH)(CC3)2(CH3)	C(CH3)3(PC3)	C(CCCP)(H)3	P(CCHH)(CC3)2(CH3)	110.0817	1.562	18	110.0817	2.438	18	110.6873	1.663	144	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CCHH)(CC3)3	C(CH3)3(PC3)	C(CCCP)(H)3	P(CCHH)(CC3)3	111.1260	1.013	36	111.1260	1.025	36	110.6873	1.663	144	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC[5]HH)(CC3)3	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC[5]HH)(CC3)3	111.1089	1.045	9	111.1089	1.091	9	110.6873	1.663	144	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC[6a]HH)(CC3)2(CH3)	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC[6a]HH)(CC3)2(CH3)	109.8054	1.096	22	109.8054	1.201	22	110.6873	1.663	144	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC[6a]HH)(CC3)3	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC[6a]HH)(CC3)3	111.2184	0.748	9	111.2184	0.559	9	110.6873	1.663	144	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC[6a]NiH)(CCHH)(CC3)2	C(CH3)3(PC3)	C(CCCP)(H)3	P(CC[6a]NiH)(CCHH)(CC3)2	110.8122	1.748	6	110.8122	3.055	6	110.6873	1.663	144	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	C-4:C-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:C-4:	C(CH3)3(PC3)	C(CCCP)(H)3	P(CHHO)(CC3)3	C(CH3)3(PC3)	C(CCCP)(H)3	P(CHHO)(CC3)3	110.8637	1.088	35	110.8637	1.184	35	110.6873	1.663	144	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:B-4:C-4:C-4:	C(PBBC)(CH3)3	C(CCCP)(H)3	P(BH3)2(CC3)2	C(PBBC)(CH3)3	C(CCCP)(H)3	P(BH3)2(CC3)2	109.8978	3.904	5	109.8978	15.243	5	110.2314	11.288	11	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:B-4:C-4:C-4:	C(PBBC)(CH3)3	C(CCCP)(H)3	P(BHHP)(BH3)(CC3)2	C(PBBC)(CH3)3	C(CCCP)(H)3	P(BHHP)(BH3)(CC3)2	110.5093	3.190	6	110.5093	10.178	6	110.2314	11.288	11	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:C-4:	C(PBCC)(CH3)3	C(CCCP)(H)3	P(BHHP)(CCHH)2(CC3)	C(PBCC)(CH3)3	C(CCCP)(H)3	P(BHHP)(CCHH)2(CC3)	109.9510	1.391	3	109.9510	1.935	3	109.9510	1.935	3	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[5a]-4:C-4:C-4:C-4:	C(PB[5a]CC)(CH3)3	C(CCCP)(H)3	P(B[5a]O[5a]2Cl)(CC3)3	C(PB[5a]CC)(CH3)3	C(CCCP)(H)3	P(B[5a]O[5a]2Cl)(CC3)3	111.1586	1.896	9	111.1586	3.593	9	111.1586	3.593	9	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:B-4:C-4:C-4:	C(PBCC)(CH3)3	C(CCCP)(H)3	P(CCHH)(BH3)(CC3)(CH3)	C(PBCC)(CH3)3	C(CCCP)(H)3	P(CCHH)(BH3)(CC3)(CH3)	109.1287	1.944	9	109.1287	3.778	9	109.3826	2.904	17	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:B-4:C-4:C-4:	C(PBCC)(CH3)3	C(CCCP)(H)3	P(CSiHH)(BH3)(CC3)(CH3)	C(PBCC)(CH3)3	C(CCCP)(H)3	P(CSiHH)(BH3)(CC3)(CH3)	109.6684	1.464	8	109.6684	2.143	8	109.3826	2.904	17	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:B-4:C-4:	C(PBCC)(CH3)3	C(CCCP)(H)3	P(CCHH)2(BH3)(CC3)	C(PBCC)(CH3)3	C(CCCP)(H)3	P(CCHH)2(BH3)(CC3)	109.6144	1.806	18	109.6144	3.260	18	109.5512	3.642	24	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:B-4:C-4:	C(PBCC)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(CCHH)(BH3)(CC3)	C(PBCC)(CH3)3	C(CCCP)(H)3	P(CC[6a]HH)(CCHH)(BH3)(CC3)	109.3617	2.369	6	109.3617	5.613	6	109.5512	3.642	24	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:P-4:	C(PCCP)(CH3)3	C(CCCP)(H)3	P(CC3)(CH3)2(PC3)	C(PCCP)(CH3)3	C(CCCP)(H)3	P(CC3)(CH3)2(PC3)	109.0373	2.779	6	109.0373	7.721	6	109.0373	7.721	6	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:S-4:	C(PCCS)(CH3)3	C(CCCP)(H)3	P(CC3)3(SO3)	C(PCCS)(CH3)3	C(CCCP)(H)3	P(CC3)3(SO3)	110.8960	0.625	9	110.8960	0.390	9	110.8960	0.390	9	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3]-4:C-4:C-4:C-4:	C(PC[3]CC)(CH3)3	C(CCCP)(H)3	P(C[3]C[3,6]2H)(CC3)3	C(PC[3]CC)(CH3)3	C(CCCP)(H)3	P(C[3]C[3,6]2H)(CC3)3	110.9790	1.476	9	110.9790	2.180	9	110.9790	2.180	9	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-4:B-4:C-4:C-4:	C(PC[4]BC)(CH3)3	C(CCCP)(H)3	P(C[4]C[4,6]B[4]H)(BCl3)(CC3)2	C(PC[4]BC)(CH3)3	C(CCCP)(H)3	P(C[4]C[4,6]B[4]H)(BCl3)(CC3)2	110.3378	2.406	6	110.3378	5.791	6	110.3378	5.791	6	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4]-4:Ga-4:C-4:C-4:	C(PC[4]GaC)(CH3)3	C(CCCP)(H)3	P(C[4]C[4,6]B[4]H)(GaCl3)(CC3)2	C(PC[4]GaC)(CH3)3	C(CCCP)(H)3	P(C[4]C[4,6]B[4]H)(GaCl3)(CC3)2	109.8008	2.886	6	109.8008	8.327	6	109.8008	8.327	6	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:B-4:B-4:C-4:	C(PC[5]BB)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(BHHP)(BH3)(CC3)	C(PC[5]BB)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(BHHP)(BH3)(CC3)	109.7143	0.626	6	109.7143	0.392	6	109.7143	0.392	6	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2H)(CC3)3	C(PC[5]CC)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2H)(CC3)3	111.4500	1.178	18	111.4500	1.388	18	111.1603	3.674	24	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C(PC[5]CC)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Li)(CLiHH)(CC3)2	C(PC[5]CC)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Li)(CLiHH)(CC3)2	110.2913	3.313	6	110.2913	10.974	6	111.1603	3.674	24	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:B-4:C-4:	C(PC[5]2B)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)2(BH3)(CC3)	C(PC[5]2B)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)2(BH3)(CC3)	108.7263	0.228	3	108.7263	0.052	3	108.7263	0.052	3	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C(PC[6]CC)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2H)(CC3)3	C(PC[6]CC)(CH3)3	C(CCCP)(H)3	P(C[6]C[6]2H)(CC3)3	111.5917	1.183	18	111.5917	1.398	18	111.5917	1.398	18	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:1:1:1:	4:4:4:4:	P-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Si-4:C-4:C-4:C-4:	C(PSiCC)(CH3)3	C(CCCP)(H)3	P(SiC3)(CC3)3	C(PSiCC)(CH3)3	C(CCCP)(H)3	P(SiC3)(CC3)3	111.0598	1.710	9	111.0598	2.923	9	111.0598	2.923	9	110.5361	2.962	304	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:4:1:1:	3:4:1:1:	P-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:Cl-1:S-1:	C(PC[6a]ClS)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	P(C[6a]C[6a]2)(CC3)(Cl)(S)	C(PC[6a]ClS)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	P(C[6a]C[6a]2)(CC3)(Cl)(S)	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:4:1:1:	3:4:4:1:	P-4:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:P-4:C-4:S-1:	C(PC[6a]PS)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	P(C[6a]C[6a]2)(PC[6a]CS)(CC3)(S)	C(PC[6a]PS)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	P(C[6a]C[6a]2)(PC[6a]CS)(CC3)(S)	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	107.4140	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:N-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(NH3)(PO3)2	C(CCHH)(CNPP)(H)2	P(CCNP)(OH)(O)2	C(CCHH)(NH3)(PO3)2	C(CCHH)(CNPP)(H)2	P(CCNP)(OH)(O)2	109.1580	2.453	3	109.1580	6.016	3	110.5337	3.160	10	110.8534	3.968	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:N-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(NH3)(PO3)2	C(CHHP)(CNPP)(H)2	P(CCNP)(OH)(O)2	C(CCHH)(NH3)(PO3)2	C(CHHP)(CNPP)(H)2	P(CCNP)(OH)(O)2	110.8300	0.856	2	110.8300	0.732	2	110.5337	3.160	10	110.8534	3.968	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:4:1:1:	4:2:1:1:	C-4:N-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(CCHH)(NH3)(PO3)2	C(CNPP)(CH3)(H)2	P(CCNP)(OH)(O)2	C(CCHH)(NH3)(PO3)2	C(CNPP)(CH3)(H)2	P(CCNP)(OH)(O)2	111.2406	1.353	5	111.2406	1.832	5	110.5337	3.160	10	110.8534	3.968	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:4:1:1:	4:2:1:1:	N-4:C-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-1:O-1:	C(NNiHH)(CCHH)(PO3)2	C(CHHP)(CNPP)(H)2	P(CCNP)(ONi)(O)2	C(NNiHH)(CCHH)(PO3)2	C(CHHP)(CNPP)(H)2	P(CCNP)(ONi)(O)2	114.0500	0.000	1	114.0500	0.000	1	114.0500	0.000	1	110.8534	3.968	11	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:4:1:1:	4:2:2:1:	C-4:N-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(NH3)(PO3)2	C(CCHH)(CNPP)(H)2	P(CCNP)(OH)2(O)	C(CCHH)(NH3)(PO3)2	C(CCHH)(CNPP)(H)2	P(CCNP)(OH)2(O)	113.4650	0.000	1	113.4650	0.000	1	112.5785	1.572	2	112.9867	1.286	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:4:1:1:	4:2:2:1:	C-4:N-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(CCHH)(NH3)(PO3)2	C(CNPP)(CH3)(H)2	P(CCNP)(OH)2(O)	C(CCHH)(NH3)(PO3)2	C(CNPP)(CH3)(H)2	P(CCNP)(OH)2(O)	111.6920	0.000	1	111.6920	0.000	1	112.5785	1.572	2	112.9867	1.286	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:4:1:1:	4:2:2:1:	N-4:C-4:P-4:P-4:	C-4:C-4:H-1:H-1:	C-4:O-2:O-2:O-1:	C(NNiHH)(CCHH)(PO3)2	C(CHHP)(CNPP)(H)2	P(CCNP)(ONi)(OH)(O)	C(NNiHH)(CCHH)(PO3)2	C(CHHP)(CNPP)(H)2	P(CCNP)(ONi)(OH)(O)	113.8030	0.000	1	113.8030	0.000	1	113.8030	0.000	1	112.9867	1.286	3	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	4:4:4:4:	4:4:1:1:	4:4:1:1:	C-4:P-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C(CCHH)(PCHH)(CH3)2	C(CCCP)(CH3)(H)2	P(CC3)2(H)2	C(CCHH)(PCHH)(CH3)2	C(CCCP)(CH3)(H)2	P(CC3)2(H)2	109.0985	3.903	4	109.0985	15.230	4	109.0985	15.230	4	109.0985	15.230	4	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	5:3:4:4:	4:1:1:1:	4:2:1:1:	P-5:N-3:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	C(PPdO3)(NPdH)(CH3)(PO3)	C(CNPP)(H)3	P(CCNP)(OH)(O)2	C(PPdO3)(NPdH)(CH3)(PO3)	C(CNPP)(H)3	P(CCNP)(OH)(O)2	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021
490	490	992	0:SP3_SP3_SP3	C	C	P	5:4:4:4:	4:1:1:1:	4:2:2:1:	P-5:N-4:C-4:P-4:	C-4:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	C(PPdO3)(NPdHH)(CH3)(PO3)	C(CNPP)(H)3	P(CCNP)(OH)2(O)	C(PPdO3)(NPdHH)(CH3)(PO3)	C(CNPP)(H)3	P(CCNP)(OH)2(O)	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	111.4293	8.433	5021	111.4293	8.433	5021