490	490	931	0:SP3_SP3_SPD5	C	C	Si[5,5,6]	5:4:1:1:	4:4:1:1:	3:3:2:2:4:	Si[5,5,6]-5:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	C(CSi[5,5,6]HH)(CH3)(H)2	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH)	C(Si[5,5,6]N[5,6]2O[5]2)(CCHH)(H)2	C(CSi[5,5,6]HH)(CH3)(H)2	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH){2|C<3>,4|C<4>}	116.9855	1.248	2	116.9855	1.558	2	116.9855	1.558	2	116.9855	1.558	2	116.9855	1.558	2	112.7100	15.452	8
490	490	931	0:SP3_SP3_SPD5	C	C	Si[5]	5:4:4:4:	4:1:1:1:	2:2:2:4:4:	Si[5]-5:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	O[5]-2:O[5]-2:O-2:C-4:C-4:	C(Si[5]O[5]2CO)(CH3)3	C(CSi[5]CC)(H)3	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2	C(Si[5]O[5]2CO)(CH3)3	C(CSi[5]CC)(H)3	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2{2|C<3>}	111.2848	3.402	6	111.2848	11.572	6	111.2848	11.572	6	111.2848	11.572	6	111.2848	11.572	6	112.7100	15.452	8
490	490	935	0:SP3_SP3_SPD6	C	C	P[4x6]	6:4:1:1:	4:1:1:1:	3:3:3:3:4:2:	P[4x6]-6:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C-4:O-2:	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	C(CP[4x6]HH)(H)3	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH)	C(P[4x6]N[5a,6,6]4O)(CH3)(H)2	C(CP[4x6]HH)(H)3	P[4x6](N[5a,6,6]C[5a,6]2)4(CCHH)(OH){12|C<3>}	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1
490	490	940	0:SP3_SP-NON_SP3	C	C	P	2:4:4:4:	4:1:1:1:	4:4:	P-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(PC[5])(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)	C(PC[5])(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)	108.8437	3.412	3	108.8437	11.640	3	108.8437	11.640	3	108.8437	11.640	3	111.6783	17.751	6	111.6783	17.751	6
490	490	940	0:SP3_SP-NON_SP3	C	C	P	4:2:1:1:	4:1:1:1:	4:1:	C-4:P-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:O-1:	C(CH3)(PO)(H)2	C(CHHP)(H)3	P(CCHH)(O)	C(CH3)(PO)(H)2	C(CHHP)(H)3	P(CCHH)(O)	117.7480	0.000	1	117.7480	0.000	1	117.7480	0.000	1	117.7480	0.000	1	111.6783	17.751	6	111.6783	17.751	6
490	490	940	0:SP3_SP-NON_SP3	C	C	P	4:2:1:1:	4:4:1:1:	4:4:	C-4:P-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:	C(CC[5]HH)(PC)(H)2	C(C[5]C[5]2Ru)(CHHP)(H)2	P(CCHH)2	C(CC[5]HH)(PC)(H)2	C(C[5]C[5]2Ru)(CHHP)(H)2	P(CCHH)2	112.8955	1.251	2	112.8955	1.565	2	112.8955	1.565	2	112.8955	1.565	2	111.6783	17.751	6	111.6783	17.751	6
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	2:4:1:1:	4:4:	N-2:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	P[6]-4:C-4:	C(NP[6])(CHHO)(H)2	C(OP[6])(CHHN)(H)2	N(P[6]N[6]2O)(CCHH)	C(NP[6])(CHHO)(H)2	C(OP[6])(CHHN)(H)2	N(P[6]N[6]2O)(CCHH)	115.9120	0.000	1	115.9120	0.000	1	115.9120	0.000	1	115.9120	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	3:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CCHH)(H)2	C(CC[5]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C(CC[5]O)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)	112.7315	3.002	2	112.7315	9.010	2	112.7315	9.010	2	111.3673	10.088	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	3:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	N(C[6]C[5a,6]N[6])(CCHH)	C(NC[6])(CHHN)(H)2	C(NC[6]H)(CHHN)(H)2	N(C[6]C[5a,6]N[6])(CCHH)	108.6390	0.000	1	108.6390	0.000	1	108.6390	0.000	1	111.3673	10.088	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:1:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:F-1:F-1:F-1:	C[5]-3:C-4:	C(NC[5])(CF3)(H)2	C(CHHN)(F)3	N(C[5]C[5,6a]C[5])(CCHH)	C(NC[5])(CF3)(H)2	C(CHHN)(F)3	N(C[5]C[5,6a]C[5])(CCHH)	109.1100	0.000	1	109.1100	0.000	1	109.1100	0.000	1	110.2665	21.139	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:1:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5]O[5])(CCHH)	C(NC[5])(CH3)(H)2	C(CHHN)(H)3	N(C[5]C[5]O[5])(CCHH)	111.2880	0.000	1	111.2880	0.000	1	111.1900	0.019	2	110.2665	21.139	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:1:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)(H)2	C(CHHN)(H)3	N(C[5]N[5,6a]S[5])(CCHH)	C(NC[5])(CH3)(H)2	C(CHHN)(H)3	N(C[5]N[5,6a]S[5])(CCHH)	111.0920	0.000	1	111.0920	0.000	1	111.1900	0.019	2	110.2665	21.139	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:1:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]S[5a])(CCHH)	C(NC[5a])(CH3)(H)2	C(CHHN)(H)3	N(C[5a]C[5a]S[5a])(CCHH)	110.1150	0.000	1	110.1150	0.000	1	110.1150	0.000	1	110.2665	21.139	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:1:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2)(CCHH)	C(NC[6])(CH3)(H)2	C(CHHN)(H)3	N(C[6]C[6]2)(CCHH)	113.2505	2.030	2	113.2505	4.121	2	112.6027	3.320	3	110.2665	21.139	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:1:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]2)(CCHH)	C(NC[6])(CH3)(H)2	C(CHHN)(H)3	N(C[6]N[6]2)(CCHH)	111.3070	0.000	1	111.3070	0.000	1	112.6027	3.320	3	110.2665	21.139	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:1:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CH3)(H)2	C(CHHN)(H)3	N(C[6a]C[6a]2)(CCHH)	109.4956	6.189	9	109.4956	38.301	9	109.4956	38.301	9	110.2665	21.139	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:1:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:O-1:	C[6a]-3:C-4:	C(NC[6a])(CHHO)(H)2	C(CHHN)(H)2(O)	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CHHO)(H)2	C(CHHN)(H)2(O)	N(C[6a]C[6a]2)(CCHH)	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	110.2665	21.139	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:1:1:1:	4:4:	N-2:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(NP[6])(CH3)(H)2	C(CHHN)(H)3	N(P[6]N[6]2Cl)(CCHH)	C(NP[6])(CH3)(H)2	C(CHHN)(H)3	N(P[6]N[6]2Cl)(CCHH)	110.8173	0.765	3	110.8173	0.586	3	110.8173	0.586	3	110.8173	0.586	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:2:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[5]C[5,6a]N[5])(CCHH)	C(NC[5])(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[5]C[5,6a]N[5])(CCHH)	108.5640	0.000	1	108.5640	0.000	1	110.1970	3.170	3	114.1772	19.783	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:2:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[5]C[5,6a]C[5])(CCHH)	C(NC[5])(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[5]C[5,6a]C[5])(CCHH)	109.9320	0.000	1	109.9320	0.000	1	110.1970	3.170	3	114.1772	19.783	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:2:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[5]C[5,6a]N[5])(CCHH)	C(NC[5])(CHHO)(H)2	C(CHHN)(OH)(H)2	N(C[5]C[5,6a]N[5])(CCHH)	112.0950	0.000	1	112.0950	0.000	1	110.1970	3.170	3	114.1772	19.783	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:2:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[5a]C[5a,6a]N[5a])(CCHH)	C(NC[5a])(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[5a]C[5a,6a]N[5a])(CCHH)	113.0048	2.772	4	113.0048	7.684	4	113.0048	7.684	4	114.1772	19.783	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:2:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CHHO)(H)2	C(CHHN)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)	118.3347	3.927	4	118.3347	15.423	4	118.3347	15.423	4	114.1772	19.783	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:3:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6,6a]2)(CCHH)	C(NC[6])(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6,6a]2)(CCHH)	110.8940	0.000	1	110.8940	0.000	1	110.1085	2.847	4	109.9407	1.781	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:3:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6]2)(CCHH)	C(NC[6])(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6]2)(CCHH)	112.1080	0.000	1	112.1080	0.000	1	110.1085	2.847	4	109.9407	1.781	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:3:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6]C[6]N[6])(CCHH)	108.7160	0.218	2	108.7160	0.047	2	110.1085	2.847	4	109.9407	1.781	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:3:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]N[6a])(CCHH)	C(NC[6a])(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]C[6a]N[6a])(CCHH)	109.7190	0.000	1	109.7190	0.000	1	109.6050	0.026	2	109.9407	1.781	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:3:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]N[6a]2)(CCHH)	C(NC[6a])(CHHN)(H)2	C(CHHN)(NCC)(H)2	N(C[6a]N[6a]2)(CCHH)	109.4910	0.000	1	109.4910	0.000	1	109.6050	0.026	2	109.9407	1.781	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:F-1:F-1:	C[6a]-3:C-4:	C(NC[6a])(CCFF)(H)2	C(CCFF)(CHHN)(F)2	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCFF)(H)2	C(CCFF)(CHHN)(F)2	N(C[6a]C[6a]2)(CCHH)	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]B[5]P[5])(CCHH)	C(NC[5])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]B[5]P[5])(CCHH)	110.2905	1.309	2	110.2905	1.713	2	111.9972	17.841	5	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5,6]N[5])(CCHH)	C(NC[5])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[5]C[5,6]N[5])(CCHH)	119.4250	0.000	1	119.4250	0.000	1	111.9972	17.841	5	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[5]C[5]O[5])(CCHH)	C(NC[5])(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[5]C[5]O[5])(CCHH)	109.4440	0.000	1	109.4440	0.000	1	111.9972	17.841	5	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[5]N[5,5a]S[5])(CCHH)	C(NC[5])(CCHH)(H)2	C(CHHN)(CHHO)(H)2	N(C[5]N[5,5a]S[5])(CCHH)	110.5360	0.000	1	110.5360	0.000	1	111.9972	17.841	5	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6,6a]O[6])(CCHH)	C(NC[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6,6a]O[6])(CCHH)	110.0730	0.000	1	110.0730	0.000	1	111.2737	1.425	7	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)	C(NC[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]2)(CCHH)	112.8330	0.000	1	112.8330	0.000	1	111.2737	1.425	7	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6]C[6]N[6])(CCHH)	111.3550	0.000	1	111.3550	0.000	1	111.2737	1.425	7	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6]N[6]S[6])(CCHH)	C(NC[6])(CCHH)(H)2	C(CHHN)(CH3)(H)2	N(C[6]N[6]S[6])(CCHH)	111.8030	0.000	1	111.8030	0.000	1	111.2737	1.425	7	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6]C[6]2)(CCHH)	C(NC[6])(CCHH)(H)2	C(CHHN)(CHHS)(H)2	N(C[6]C[6]2)(CCHH)	112.5980	0.000	1	112.5980	0.000	1	111.2737	1.425	7	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CCHH)(H)2	C(CHHN)2(H)2	N(C[6]N[6]2)(CCHH)	C(NC[6])(CCHH)(H)2	C(CHHN)2(H)2	N(C[6]N[6]2)(CCHH)	110.1270	0.095	2	110.1270	0.009	2	111.2737	1.425	7	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]C[6a]2)(CCHH)	109.6920	0.614	2	109.6920	0.377	2	111.6854	5.043	5	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)	C(NC[6a])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(C[6a]N[6a]2)(CCHH)	114.3840	0.000	1	114.3840	0.000	1	111.6854	5.043	5	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)	C(NC[6a])(CCHH)(H)2	C(CHHN)2(H)2	N(C[6a]C[6a,6a]C[6a])(CCHH)	112.3295	1.933	2	112.3295	3.735	2	111.6854	5.043	5	111.6208	5.983	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	4:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:	C(NC[6])(CCHH)(H)2	C(CC[6]FF)(CHHN)(H)2	N(C[6]N[6]O[6]C)(CCHH)	C(NC[6])(CCHH)(H)2	C(CC[6]FF)(CHHN)(H)2	N(C[6]N[6]O[6]C)(CCHH)	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	110.8710	6.529	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	4:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:	C(NP[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[6]N[6]2Cl)(CCHH)	C(NP[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[6]N[6]2Cl)(CCHH)	112.7330	0.000	1	112.7330	0.000	1	112.3275	0.329	2	110.8710	6.529	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:1:1:	4:4:	N-2:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	P[6]-4:C-4:	C(NP[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[6]N[6]2S)(CCHH)	C(NP[6])(CCHH)(H)2	C(CCHH)(CHHN)(H)2	N(P[6]N[6]2S)(CCHH)	111.9220	0.000	1	111.9220	0.000	1	112.3275	0.329	2	110.8710	6.529	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:4:1:	4:4:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	P[6]-4:C-4:	C(NP[6])(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(P[6]N[6]2N)(CCHH)	C(NP[6])(CCCH)(H)2	C(CHHN)(CH3)2(H)	N(P[6]N[6]2N)(CCHH)	112.4432	1.815	6	112.4432	3.292	6	112.4432	3.292	6	112.4432	3.292	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:4:2:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[6]-3:C-4:	C(NC[6])(CCCO)(H)2	C(CHHN)(CH3)2(OH)	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CCCO)(H)2	C(CHHN)(CH3)2(OH)	N(C[6]C[6]N[6])(CCHH)	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:4:4:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6]-3:C-4:	C(NC[6])(CC3)(H)2	C(CHHN)(CH3)3	N(C[6]C[6]N[6])(CCHH)	C(NC[6])(CC3)(H)2	C(CHHN)(CH3)3	N(C[6]C[6]N[6])(CCHH)	113.7313	0.857	8	113.7313	0.734	8	113.7313	0.734	8	113.3567	1.225	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:1:1:	4:4:4:4:	3:4:	N-2:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C-4:	C(NC[6a])(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a]2)(CCHH)	C(NC[6a])(CC3)(H)2	C(CHHN)(CH3)3	N(C[6a]C[6a]2)(CCHH)	112.3580	1.224	3	112.3580	1.498	3	112.3580	1.498	3	113.3567	1.225	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:3:1:	4:1:1:1:	3:4:	N-2:C-4:C-3:H-1:	C-4:F-1:F-1:F-1:	C[5]-3:C-4:	C(NC[5])(CF3)(COO)(H)	C(CCHN)(F)3	N(C[5]C[5,6a]C[5])(CCCH)	C(NC[5])(CF3)(COO)(H)	C(CCHN)(F)3	N(C[5]C[5,6a]C[5])(CCCH)	107.3125	1.107	2	107.3125	1.225	2	107.3125	1.225	2	109.6052	5.730	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:3:1:	4:1:1:1:	3:4:	N-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CH3)(CNO)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)	C(NC[6a])(CH3)(CNO)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)	113.1250	0.000	1	113.1250	0.000	1	110.7515	3.885	4	109.6052	5.730	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:3:1:	4:1:1:1:	3:4:	N-2:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CH3)(COO)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)	C(NC[6a])(CH3)(COO)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)	109.9603	1.439	3	109.9603	2.072	3	110.7515	3.885	4	109.6052	5.730	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:3:1:	4:4:4:1:	3:4:	N-2:C-4:C-3:H-1:	C-4:C-4:C-4:H-1:	C[5,6]-3:C-4:	C(NC[5,6])(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(C[5,6]C[5,5,6]C[5,6])(CCCH)	C(NC[5,6])(CCCH)(COO)(H)	C(CCHH)(CCHN)(CH3)(H)	N(C[5,6]C[5,5,6]C[5,6])(CCCH)	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3]-3:C-4:	C(NC[3])(CH3)2(H)	C(CCHN)(H)3	N(C[3]N[3]P[3])(CCCH)	C(NC[3])(CH3)2(H)	C(CCHN)(H)3	N(C[3]N[3]P[3])(CCCH)	102.0705	2.948	2	102.0705	8.690	2	102.0705	8.690	2	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:	C(NC[4])(CH3)2(H)	C(CCHN)(H)3	N(C[4]N[4]P[4])(CCCH)	C(NC[4])(CH3)2(H)	C(CCHN)(H)3	N(C[4]N[4]P[4])(CCCH)	108.4755	2.177	2	108.4755	4.740	2	108.2083	1.109	6	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:	C(NC[4])(CH3)2(H)	C(CCHN)(H)3	N(C[4]N[4]S[4])(CCCH)	C(NC[4])(CH3)2(H)	C(CCHN)(H)3	N(C[4]N[4]S[4])(CCCH)	108.1235	0.408	2	108.1235	0.166	2	108.2083	1.109	6	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[4]-3:C-4:	C(NC[4])(CH3)2(H)	C(CCHN)(H)3	N(C[4]P[4]2)(CCCH)	C(NC[4])(CH3)2(H)	C(CCHN)(H)3	N(C[4]P[4]2)(CCCH)	108.0260	0.643	2	108.0260	0.414	2	108.2083	1.109	6	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[3x3,4x5,12x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[3x3,4x5,12x6]N[5])(CCCH)	108.4170	1.399	2	108.4170	1.956	2	108.4857	2.142	22	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5,5]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5,5]N[5])(CCCH)	108.3070	1.440	2	108.3070	2.073	2	108.4857	2.142	22	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]N[5])(CCCH)	110.7985	3.468	2	110.7985	12.030	2	108.4857	2.142	22	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5x3,6x5,20x6]N[5])(CCCH)	107.9431	0.907	10	107.9431	0.822	10	108.4857	2.142	22	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]N[5]2)(CCCH)	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]N[5]2)(CCCH)	107.6175	1.249	2	107.6175	1.561	2	108.4857	2.142	22	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]N[5]S[5])(CCCH)	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]N[5]S[5])(CCCH)	109.2435	0.902	4	109.2435	0.814	4	108.4857	2.142	22	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]N[5a])(CCCH)	C(NC[5a])(CH3)2(H)	C(CCHN)(H)3	N(C[5a]C[5a]N[5a])(CCCH)	108.6263	1.420	6	108.6263	2.017	6	108.6263	2.017	6	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]N[6])(CCCH)	C(NC[6])(CH3)2(H)	C(CCHN)(H)3	N(C[6]C[6]N[6])(CCCH)	108.0030	1.300	2	108.0030	1.689	2	108.8376	1.653	10	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CH3)2(H)	C(CCHN)(H)3	N(C[6]N[6]2)(CCCH)	C(NC[6])(CH3)2(H)	C(CCHN)(H)3	N(C[6]N[6]2)(CCCH)	108.6730	1.785	4	108.6730	3.187	4	108.8376	1.653	10	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CH3)2(H)	C(CCHN)(H)3	N(C[6]N[6]S[6])(CCCH)	C(NC[6])(CH3)2(H)	C(CCHN)(H)3	N(C[6]N[6]S[6])(CCCH)	109.4195	0.506	4	109.4195	0.256	4	108.8376	1.653	10	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	3:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)	C(NC[6a])(CH3)2(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)	109.7710	1.287	4	109.7710	1.656	4	109.7710	1.656	4	108.3859	3.661	50	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	4:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2Fe)(CCCH)	C(NC[5])(CH3)2(H)	C(CCHN)(H)3	N(C[5]C[5]2Fe)(CCCH)	109.1497	2.310	4	109.1497	5.338	4	109.1497	5.338	4	110.1494	6.006	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	4:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(NP[6])(CH3)2(H)	C(CCHN)(H)3	N(P[6]N[6]2O)(CCCH)	C(NP[6])(CH3)2(H)	C(CCHN)(H)3	N(P[6]N[6]2O)(CCCH)	110.2570	1.879	2	110.2570	3.532	2	110.2570	3.532	2	110.1494	6.006	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	4:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[6]-4:C-4:	C(NSi[6])(CH3)2(H)	C(CCHN)(H)3	N(Si[6]N[6]2Ni)(CCCH)	C(NSi[6])(CH3)2(H)	C(CCHN)(H)3	N(Si[6]N[6]2Ni)(CCCH)	112.0410	3.364	2	112.0410	11.319	2	112.0410	11.319	2	110.1494	6.006	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	7:4:	N-2:C-4:C-4:C-1:	C-4:H-1:H-1:H-1:	Nb[3x3]-7:C-4:	C(NNb[3x3])(CH3)2(C)	C(CCCN)(H)3	N(Nb[3x3]Nb[3x3]Cl[3]3N[6]Cl)(CC3)	C(NNb[3x3])(CH3)2(C)	C(CCCN)(H)3	N(Nb[3x3]Nb[3x3]Cl[3]3N[6]Cl)(CC3)	107.6870	0.979	2	107.6870	0.958	2	107.6870	0.958	2	109.1423	6.833	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:1:	4:1:1:1:	7:4:	N-2:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Nb[3,3]-7:C-4:	C(NNb[3,3])(CH3)2(H)	C(CCHN)(H)3	N(Nb[3,3]N[3]2P[3]2FeN)(CCCH)	C(NNb[3,3])(CH3)2(H)	C(CCHN)(H)3	N(Nb[3,3]N[3]2P[3]2FeN)(CCCH)	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	109.1423	6.833	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	12:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[10x3,4]-12:C-4:	C(NNb[10x3,4])(CH3)3	C(CCCN)(H)3	N(Nb[10x3,4]C[3,3,4,5]2C[3,3,5]8Cl)(CC3)	C(NNb[10x3,4])(CH3)3	C(CCCN)(H)3	N(Nb[10x3,4]C[3,3,4,5]2C[3,3,5]8Cl)(CC3)	109.0256	1.068	9	109.0256	1.140	9	109.0256	1.140	9	109.0256	1.140	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	2:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[10x3]-2:C-4:	C(NNb[10x3])(CH3)3	C(CCCN)(H)3	N(Nb[10x3]C[3,3,5]10O)(CC3)	C(NNb[10x3])(CH3)3	C(CCCN)(H)3	N(Nb[10x3]C[3,3,5]10O)(CC3)	108.7097	0.397	3	108.7097	0.157	3	108.9572	0.839	9	108.9572	0.839	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	2:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[10x3]-2:C-4:	C(NNb[10x3])(CH3)3	C(CCCN)(H)3	N(Nb[10x3]C[3,3,5]10P)(CC3)	C(NNb[10x3])(CH3)3	C(CCCN)(H)3	N(Nb[10x3]C[3,3,5]10P)(CC3)	109.0810	1.107	6	109.0810	1.225	6	108.9572	0.839	9	108.9572	0.839	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[4,5]-3:C-4:	C(NC[4,5])(CH3)3	C(CCCN)(H)3	N(C[4,5]P[4,5,5]2)(CC3)	C(NC[4,5])(CH3)3	C(CCCN)(H)3	N(C[4,5]P[4,5,5]2)(CC3)	108.6113	3.214	3	108.6113	10.330	3	108.6113	10.330	3	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5]C[5,6a]O[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5]C[5,6a]O[5])(CC3)	107.6580	3.386	2	107.6580	11.462	2	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5]C[5]N[5])(CC3)	107.8000	5.514	2	107.8000	30.404	2	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5]C[5]O[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5]C[5]O[5])(CC3)	109.8275	1.097	2	109.8275	1.203	2	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5,5a]C[5,6a])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5,5a]C[5,6a])(CC3)	108.7647	2.876	3	108.7647	8.270	3	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5,5a]O[5])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5,5a]O[5])(CC3)	109.0693	4.733	3	109.0693	22.405	3	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5,5a]S[5])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5,5a]S[5])(CC3)	109.0677	3.020	3	109.0677	9.122	3	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5,6a]C[5])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5,6a]C[5])(CC3)	108.4989	3.222	7	108.4989	10.381	7	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5,6a]N[5])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5,6a]N[5])(CC3)	109.2487	3.990	3	109.2487	15.916	3	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5]N[5])(CC3)	109.2338	3.611	21	109.2338	13.036	21	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5]O[5])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]C[5]O[5])(CC3)	107.3617	2.248	3	107.3617	5.055	3	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]N[5,5]O[5])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]N[5,5]O[5])(CC3)	108.6873	3.197	3	108.6873	10.219	3	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]N[5,5]S[5])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]N[5,5]S[5])(CC3)	109.0420	3.417	3	109.0420	11.676	3	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]N[5,6a]C[5,6])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]N[5,6a]C[5,6])(CC3)	108.9060	3.589	3	108.9060	12.881	3	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]O[5]P[5])(CC3)	C(NC[5])(CH3)3	C(CCCN)(H)3	N(C[5]O[5]P[5])(CC3)	108.9267	2.086	3	108.9267	4.353	3	108.8720	9.740	61	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5a]N[5a,5a]C[5a])(CC3)	C(NC[5a])(CCHH)(CH3)2	C(CCCN)(H)3	N(C[5a]N[5a,5a]C[5a])(CC3)	109.5987	2.129	4	109.5987	4.531	4	109.2513	9.792	28	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]B[5a]N[5a])(CC3)	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]B[5a]N[5a])(CC3)	109.1830	6.133	3	109.1830	37.610	3	109.2513	9.792	28	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,5a]C[5a,6a])(CC3)	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,5a]C[5a,6a])(CC3)	108.9310	3.545	3	108.9310	12.567	3	109.2513	9.792	28	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,6a]C[5a])(CC3)	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,6a]C[5a])(CC3)	109.3593	2.988	3	109.3593	8.929	3	109.2513	9.792	28	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,6a]O[5a])(CC3)	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a,6a]O[5a])(CC3)	108.8027	3.179	3	108.8027	10.105	3	109.2513	9.792	28	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]N[5a])(CC3)	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]C[5a]N[5a])(CC3)	109.2597	3.697	9	109.2597	13.666	9	109.2513	9.792	28	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]N[5,5a]C[5a])(CC3)	C(NC[5a])(CH3)3	C(CCCN)(H)3	N(C[5a]N[5,5a]C[5a])(CC3)	109.4920	0.847	3	109.4920	0.717	3	109.2513	9.792	28	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CH3)3	C(CCCN)(H)3	N(C[6]C[3x6]N[6])(CC3)	C(NC[6])(CH3)3	C(CCCN)(H)3	N(C[6]C[3x6]N[6])(CC3)	109.7713	5.688	3	109.7713	32.356	3	109.2402	14.819	18	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CH3)3	C(CCCN)(H)3	N(C[6]C[5a,6]O[6])(CC3)	C(NC[6])(CH3)3	C(CCCN)(H)3	N(C[6]C[5a,6]O[6])(CC3)	109.0807	3.605	3	109.0807	12.995	3	109.2402	14.819	18	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CH3)3	C(CCCN)(H)3	N(C[6]C[6,6a]N[6])(CC3)	C(NC[6])(CH3)3	C(CCCN)(H)3	N(C[6]C[6,6a]N[6])(CC3)	109.3550	5.777	3	109.3550	33.379	3	109.2402	14.819	18	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CH3)3	C(CCCN)(H)3	N(C[6]C[6]2)(CC3)	C(NC[6])(CH3)3	C(CCCN)(H)3	N(C[6]C[6]2)(CC3)	109.1407	3.790	6	109.1407	14.363	6	109.2402	14.819	18	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(NC[6])(CH3)3	C(CCCN)(H)3	N(C[6]C[6]N[6])(CC3)	C(NC[6])(CH3)3	C(CCCN)(H)3	N(C[6]C[6]N[6])(CC3)	108.9530	3.269	3	108.9530	10.689	3	109.2402	14.819	18	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CCHH)(CH3)2	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)	C(NC[6a])(CCHH)(CH3)2	C(CCCN)(H)3	N(C[6a]C[6a]2)(CC3)	108.4830	1.024	2	108.4830	1.048	2	108.4830	1.048	2	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-3:C-4:	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2)(CC3)	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2)(CC3)	109.3564	1.605	12	109.3564	2.576	12	109.3564	2.576	12	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Se[4]-3:C-4:	C(NSe[4])(CH3)3	C(CCCN)(H)3	N(Se[4]N[4]2)(CC3)	C(NSe[4])(CH3)3	C(CCCN)(H)3	N(Se[4]N[4]2)(CC3)	109.1743	3.972	9	109.1743	15.780	9	109.1743	15.780	9	109.0541	9.721	133	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-4:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2C)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2C)(CC3)	109.3803	0.331	6	109.3803	0.110	6	109.0667	0.666	15	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-4:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2N)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2N)(CC3)	108.8576	0.987	9	108.8576	0.974	9	109.0667	0.666	15	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2C)(CC3)	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2C)(CC3)	110.1484	2.764	12	110.1484	7.640	12	109.9101	6.046	54	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2N)(CC3)	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2N)(CC3)	109.9013	3.400	3	109.9013	11.559	3	109.9101	6.046	54	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2S)(CC3)	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2S)(CC3)	109.6207	2.976	6	109.6207	8.856	6	109.9101	6.046	54	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2Se)(CC3)	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2Se)(CC3)	110.0770	2.192	15	110.0770	4.804	15	109.9101	6.046	54	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[4]-4:C-4:	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2Te)(CC3)	C(NP[4])(CH3)3	C(CCCN)(H)3	N(P[4]N[4]2Te)(CC3)	109.7101	2.419	18	109.7101	5.850	18	109.9101	6.046	54	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(NP[6])(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2Cl)(CC3)	C(NP[6])(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2Cl)(CC3)	108.5477	2.228	3	108.5477	4.965	3	109.0384	3.509	56	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(NP[6])(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2N)(CC3)	C(NP[6])(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2N)(CC3)	109.0752	1.880	50	109.0752	3.534	50	109.0384	3.509	56	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(NP[6])(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2O)(CC3)	C(NP[6])(CH3)3	C(CCCN)(H)3	N(P[6]N[6]2O)(CC3)	108.9147	2.127	3	108.9147	4.526	3	109.0384	3.509	56	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	4:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	S[6]-4:C-4:	C(NS[6])(CH3)3	C(CCCN)(H)3	N(S[6]C[6,6a]O[6]O)(CC3)	C(NS[6])(CH3)3	C(CCCN)(H)3	N(S[6]C[6,6a]O[6]O)(CC3)	109.0457	3.699	3	109.0457	13.682	3	109.0457	13.682	3	109.4096	4.516	128	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3,6]-5:C-4:	C(NNb[3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,6]C[3]N[3]N[6]2)(CC3)	C(NNb[3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,6]C[3]N[3]N[6]2)(CC3)	109.2930	0.806	3	109.2930	0.649	3	109.2930	0.649	3	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3x6]-5:C-4:	C(NNb[3x6])(CH3)3	C(CCCN)(H)3	N(Nb[3x6]N[3x6]N[6,6]2O)(CC3)	C(NNb[3x6])(CH3)3	C(CCCN)(H)3	N(Nb[3x6]N[3x6]N[6,6]2O)(CC3)	110.0253	0.805	3	110.0253	0.648	3	110.0253	0.648	3	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[4,6]-5:C-4:	C(NNb[4,6])(CH3)3	C(CCCN)(H)3	N(Nb[4,6]N[4,6]C[4]N[6]N)(CC3)	C(NNb[4,6])(CH3)3	C(CCCN)(H)3	N(Nb[4,6]N[4,6]C[4]N[6]N)(CC3)	108.6313	0.222	3	108.6313	0.049	3	108.6313	0.049	3	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[5]-5:C-4:	C(NNb[5])(CH3)3	C(CCCN)(H)3	N(Nb[5]C[5]N[5]N[6]N)(CC3)	C(NNb[5])(CH3)3	C(CCCN)(H)3	N(Nb[5]C[5]N[5]N[6]N)(CC3)	109.1800	0.469	3	109.1800	0.220	3	109.1800	0.220	3	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6,6]-5:C-4:	C(NNb[6,6])(CH3)3	C(CCCN)(H)3	N(Nb[6,6]N[6,6]C[6]N[6]O)(CC3)	C(NNb[6,6])(CH3)3	C(CCCN)(H)3	N(Nb[6,6]N[6,6]C[6]N[6]O)(CC3)	109.3427	0.700	6	109.3427	0.489	6	109.3427	0.489	6	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]C[6a]N[6]2F)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]C[6a]N[6]2F)(CC3)	108.6236	1.131	9	108.6236	1.279	9	108.9121	0.946	48	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]C[6a]N[6]2N)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]C[6a]N[6]2N)(CC3)	108.2680	0.978	6	108.2680	0.957	6	108.9121	0.946	48	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2CC)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2CC)(CC3)	109.0375	0.595	6	109.0375	0.354	6	108.9121	0.946	48	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2CN)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2CN)(CC3)	109.2722	1.324	12	109.2722	1.754	12	108.9121	0.946	48	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2HN)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2HN)(CC3)	108.9620	0.249	3	108.9620	0.062	3	108.9121	0.946	48	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2NO)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2NO)(CC3)	109.0692	0.525	9	109.0692	0.275	9	108.9121	0.946	48	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	5:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-5:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2O[5]2)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2O[5]2)(CC3)	108.8537	0.677	3	108.8537	0.458	3	108.9121	0.946	48	109.0186	0.846	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5x3,5x5,5x6]-6:C-4:	C(NC[5x3,5x5,5x6])(CH3)3	C(CCCN)(H)3	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)	C(NC[5x3,5x5,5x6])(CH3)3	C(CCCN)(H)3	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)	109.2907	4.645	3	109.2907	21.577	3	109.2907	21.577	3	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3,3,6]-6:C-4:	C(NNb[3,3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,3,6]C[3,3]N[3]N[6]2O[3])(CC3)	C(NNb[3,3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,3,6]C[3,3]N[3]N[6]2O[3])(CC3)	109.6880	1.267	6	109.6880	1.606	6	109.4609	2.396	9	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3,3,6]-6:C-4:	C(NNb[3,3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,3,6]Nb[3,3,6]N[6]2S[3]2)(CC3)	C(NNb[3,3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,3,6]Nb[3,3,6]N[6]2S[3]2)(CC3)	109.0067	2.259	3	109.0067	5.103	3	109.4609	2.396	9	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3,4]-6:C-4:	C(NNb[3,4])(CH3)3	C(CCCN)(H)3	N(Nb[3,4]C[3,6]C[3]N[4]2C)(CC3)	C(NNb[3,4])(CH3)3	C(CCCN)(H)3	N(Nb[3,4]C[3,6]C[3]N[4]2C)(CC3)	108.8767	1.172	3	108.8767	1.374	3	108.8767	1.374	3	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3,6]-6:C-4:	C(NNb[3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,6]B[3,5]N[3]N[6]2H)(CC3)	C(NNb[3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,6]B[3,5]N[3]N[6]2H)(CC3)	108.9533	0.838	3	108.9533	0.703	3	108.9721	0.990	15	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3,6]-6:C-4:	C(NNb[3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,6]C[3]2N[6]2C)(CC3)	C(NNb[3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,6]C[3]2N[6]2C)(CC3)	109.1450	0.375	6	109.1450	0.140	6	108.9721	0.990	15	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3,6]-6:C-4:	C(NNb[3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,6]C[3]N[3]N[6]2C)(CC3)	C(NNb[3,6])(CH3)3	C(CCCN)(H)3	N(Nb[3,6]C[3]N[3]N[6]2C)(CC3)	108.8085	1.511	6	108.8085	2.283	6	108.9721	0.990	15	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3x6]-6:C-4:	C(NNb[3x6])(CH3)3	C(CCCN)(H)3	N(Nb[3x6]N[3x6]N[6,6]2N[6]Cl)(CC3)	C(NNb[3x6])(CH3)3	C(CCCN)(H)3	N(Nb[3x6]N[3x6]N[6,6]2N[6]Cl)(CC3)	109.9007	0.878	3	109.9007	0.770	3	109.5042	0.917	9	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3x6]-6:C-4:	C(NNb[3x6])(CH3)3	C(CCCN)(H)3	N(Nb[3x6]N[5,6,6]3ClC)(CC3)	C(NNb[3x6])(CH3)3	C(CCCN)(H)3	N(Nb[3x6]N[5,6,6]3ClC)(CC3)	109.3060	1.009	6	109.3060	1.017	6	109.5042	0.917	9	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[5]-6:C-4:	C(NNb[5])(CH3)3	C(CCCN)(H)3	N(Nb[5]O[5]2Cl3)(CC3)	C(NNb[5])(CH3)3	C(CCCN)(H)3	N(Nb[5]O[5]2Cl3)(CC3)	109.6520	1.784	3	109.6520	3.182	3	109.6520	3.182	3	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-6:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2C3)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]2C3)(CC3)	109.3833	1.690	3	109.3833	2.857	3	109.2158	1.704	6	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	6:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[6]-6:C-4:	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]3CC)(CC3)	C(NNb[6])(CH3)3	C(CCCN)(H)3	N(Nb[6]N[6]3CC)(CC3)	109.0483	1.148	3	109.0483	1.318	3	109.2158	1.704	6	109.2504	2.217	48	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	7:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3,3,3x6]-7:C-4:	C(NNb[3,3,3x6])(CH3)3	C(CCCN)(H)3	N(Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]N[3]Cl)(CC3)	C(NNb[3,3,3x6])(CH3)3	C(CCCN)(H)3	N(Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]N[3]Cl)(CC3)	109.3757	1.925	12	109.3757	3.707	12	109.3757	3.707	12	109.1531	2.343	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	7:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3x3,5,6]-7:C-4:	C(NNb[3x3,5,6])(CH3)3	C(CCCN)(H)3	N(Nb[3x3,5,6]C[3,3,6]2C[3,5,6]2N[6]2)(CC3)	C(NNb[3x3,5,6])(CH3)3	C(CCCN)(H)3	N(Nb[3x3,5,6]C[3,3,6]2C[3,5,6]2N[6]2)(CC3)	108.9050	0.788	3	108.9050	0.621	3	108.9050	0.621	3	109.1531	2.343	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	7:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3x3]-7:C-4:	C(NNb[3x3])(CH3)3	C(CCCN)(H)3	N(Nb[3x3]Nb[3x3]Cl[3]3N[6]2)(CC3)	C(NNb[3x3])(CH3)3	C(CCCN)(H)3	N(Nb[3x3]Nb[3x3]Cl[3]3N[6]2)(CC3)	108.5273	0.901	3	108.5273	0.812	3	108.5273	0.812	3	109.1531	2.343	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	7:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[4x3,4]-7:C-4:	C(NNb[4x3,4])(CH3)3	C(CCCN)(H)3	N(Nb[4x3,4]C[3,3]3C[3,4]N[3]N[4])(CC3)	C(NNb[4x3,4])(CH3)3	C(CCCN)(H)3	N(Nb[4x3,4]C[3,3]3C[3,4]N[3]N[4])(CC3)	109.1370	0.792	3	109.1370	0.627	3	109.1370	0.627	3	109.1531	2.343	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	8:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[3x3]-8:C-4:	C(NNb[3x3])(CH3)3	C(CCCN)(H)3	N(Nb[3x3]N[3]3P[3]3Co)(CC3)	C(NNb[3x3])(CH3)3	C(CCCN)(H)3	N(Nb[3x3]N[3]3P[3]3Co)(CC3)	109.7730	0.584	3	109.7730	0.341	3	109.7730	0.341	3	109.1959	1.051	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	8:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[5x3,6]-8:C-4:	C(NNb[5x3,6])(CH3)3	C(CCCN)(H)3	N(Nb[5x3,6]C[3,3,5]5N[6]2)(CC3)	C(NNb[5x3,6])(CH3)3	C(CCCN)(H)3	N(Nb[5x3,6]C[3,3,5]5N[6]2)(CC3)	109.7775	0.350	6	109.7775	0.122	6	109.7775	0.122	6	109.1959	1.051	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	8:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[5x3]-8:C-4:	C(NNb[5x3])(CH3)3	C(CCCN)(H)3	N(Nb[5x3]C[3,3,5]5ClN)(CC3)	C(NNb[5x3])(CH3)3	C(CCCN)(H)3	N(Nb[5x3]C[3,3,5]5ClN)(CC3)	108.4650	1.689	3	108.4650	2.854	3	108.6159	1.314	9	109.1959	1.051	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	8:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[5x3]-8:C-4:	C(NNb[5x3])(CH3)3	C(CCCN)(H)3	N(Nb[5x3]C[3,3,5]5ClO)(CC3)	C(NNb[5x3])(CH3)3	C(CCCN)(H)3	N(Nb[5x3]C[3,3,5]5ClO)(CC3)	108.1433	1.112	3	108.1433	1.237	3	108.6159	1.314	9	109.1959	1.051	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	8:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[5x3]-8:C-4:	C(NNb[5x3])(CH3)3	C(CCCN)(H)3	N(Nb[5x3]C[3,5,6]2C[3,3]3N[3]2)(CC3)	C(NNb[5x3])(CH3)3	C(CCCN)(H)3	N(Nb[5x3]C[3,5,6]2C[3,3]3N[3]2)(CC3)	109.2393	0.462	3	109.2393	0.213	3	108.6159	1.314	9	109.1959	1.051	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:1:1:1:	9:4:	N-2:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Nb[5x3,6]-9:C-4:	C(NNb[5x3,6])(CH3)3	C(CCCN)(H)3	N(Nb[5x3,6]C[3,3,5]5N[6]2H)(CC3)	C(NNb[5x3,6])(CH3)3	C(CCCN)(H)3	N(Nb[5x3,6]C[3,3,5]5N[6]2H)(CC3)	109.3172	0.575	6	109.3172	0.331	6	109.3172	0.331	6	109.3172	0.331	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:4:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5]C[5,6a]O[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5]C[5,6a]O[5])(CC3)	113.3500	0.000	1	113.3500	0.000	1	112.0920	14.973	3	110.4012	11.654	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:4:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5]C[5]N[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5]C[5]N[5])(CC3)	115.1760	0.000	1	115.1760	0.000	1	112.0920	14.973	3	110.4012	11.654	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:4:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[5]-3:C-4:	C(NC[5])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5]C[5]O[5])(CC3)	C(NC[5])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5]C[5]O[5])(CC3)	107.7500	0.000	1	107.7500	0.000	1	112.0920	14.973	3	110.4012	11.654	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:4:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[5a]-3:C-4:	C(NC[5a])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5a]N[5a,5a]C[5a])(CC3)	C(NC[5a])(CCHH)(CH3)2	C(CCCN)(CC3)(H)2	N(C[5a]N[5a,5a]C[5a])(CC3)	107.3575	0.436	2	107.3575	0.190	2	107.3575	0.190	2	110.4012	11.654	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	2:4:4:4:	4:4:1:1:	3:4:	N-2:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(NC[6a])(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CC3)	C(NC[6a])(CCHH)(CH3)2	C(CCCN)(CCHN)(H)2	N(C[6a]C[6a]2)(CC3)	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	110.4012	11.654	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:2:4:1:	4:1:1:1:	3:4:	C-3:N-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(CC[6a]O)(NC[6a])(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)	C(CC[6a]O)(NC[6a])(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[6a]2)(CCCH)	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	108.5260	0.277	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:2:4:1:	4:1:1:1:	3:4:	C[6a]-3:N-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	C(CC[6a]HN)(H)3	N(C[5a]N[5a]S[5a])(CC[6a]CH)	C(C[6a]C[6a]2)(NC[5a])(CH3)(H)	C(CC[6a]HN)(H)3	N(C[5a]N[5a]S[5a])(CC[6a]CH)	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	108.5260	0.277	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:2:4:1:	4:1:1:1:	3:4:	N-3:N-2:C-4:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C[6a]-3:C-4:	C(NC[6a]H)(NC[6a])(CCl3)(H)	C(CHNN)(Cl)3	N(C[6a]C[6a]2)(CCHN)	C(NC[6a]H)(NC[6a])(CCl3)(H)	C(CHNN)(Cl)3	N(C[6a]C[6a]2)(CCHN)	108.0060	0.000	1	108.0060	0.000	1	108.0060	0.000	1	108.5260	0.277	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:2:4:1:	4:1:1:1:	4:4:	C[6a]-3:N-2:C-4:H-1:	C-4:F-1:F-1:F-1:	C[5]-4:C-4:	C(C[6a]C[6a]2)(NC[5])(CF3)(H)	C(CC[6a]HN)(F)3	N(C[5]C[5]2Fe)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[5])(CF3)(H)	C(CC[6a]HN)(F)3	N(C[5]C[5]2Fe)(CC[6a]CH)	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	110.1690	0.451	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:2:4:1:	4:1:1:1:	4:4:	C[6a]-3:N-2:C-4:H-1:	C-4:H-1:H-1:H-1:	P[6]-4:C-4:	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	C(CC[6a]HN)(H)3	N(P[6]O[6]2S)(CC[6a]CH)	C(C[6a]C[6a]2)(NP[6])(CH3)(H)	C(CC[6a]HN)(H)3	N(P[6]O[6]2S)(CC[6a]CH)	110.6440	0.000	1	110.6440	0.000	1	110.6440	0.000	1	110.1690	0.451	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:2:4:1:	4:2:1:1:	3:4:	C[6a]-3:N-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(CHHO)(H)	C(CC[6a]HN)(OH)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:2:4:1:	4:3:1:1:	3:4:	C[6a]-3:N-2:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(NC[6a])(CCHH)(H)	C(CC[6a]HN)(COO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)	113.8130	0.000	1	113.8130	0.000	1	113.8130	0.000	1	113.8130	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:2:4:1:	4:4:1:1:	3:4:	C[6a]-3:N-2:C-4:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(NC[6a])(CHHP)(H)	C(PC[6a]2Pd)(CC[6a]HN)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)	109.3280	0.000	1	109.3280	0.000	1	109.3280	0.000	1	109.3280	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:2:4:3:	4:1:1:1:	3:4:	C[6a]-3:N-2:C-4:C-3:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(NC[6a])(CH3)(COO)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)	C(C[6a]C[6a]2)(NC[6a])(CH3)(COO)	C(CC[6a]CN)(H)3	N(C[6a]C[6a]2)(CC[6a]CC)	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:3:4:2:	4:1:1:1:	4:2:	C[6a]-3:C[6a]-3:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)2(CH3)(NC)	C(CC[6a]2N)(H)3	N(CC[6a]2C)(CC)	C(C[6a]C[6a]2)2(CH3)(NC)	C(CC[6a]2N)(H)3	N(CC[6a]2C)(CC)	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:3:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-3:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]S)(CH3)(NC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]O)	108.7880	0.000	1	108.7880	0.000	1	108.7095	0.012	2	108.7095	0.012	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:3:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-3:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CSiC)(CH3)(NC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(COO)	C(C[6a]C[6a]2)(CSiC)(CH3)(NC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(COO)	108.6310	0.000	1	108.6310	0.000	1	108.7095	0.012	2	108.7095	0.012	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:3:4:2:	4:2:1:1:	4:3:	C[5a]-3:C[6a]-3:C-4:N-2:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	C(CC[5a]C[6a]N)(OH)(H)2	N(CC[5a]C[6a]C)(COO)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CHHO)(NC)	C(CC[5a]C[6a]N)(OH)(H)2	N(CC[5a]C[6a]C)(COO)	111.8670	0.000	1	111.8670	0.000	1	111.8670	0.000	1	111.8670	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:3:4:2:	4:4:1:1:	4:2:	C[6a]-3:C[6a]-3:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)2(CCHH)(NC)	C(CC[6a]2N)(CCl2H)(H)2	N(CC[6a]2C)(CS)	C(C[6a]C[6a]2)2(CCHH)(NC)	C(CC[6a]2N)(CCl2H)(H)2	N(CC[6a]2C)(CS)	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:3:4:3:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:C-2:	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	C(C[6a]C[6a]2)2(CC[6a]HN)(COO)	N(CC[6a]CH)(CO)	C(C[6a]C[6a]2)(CC[6a]2C)(NC)(H)	C(C[6a]C[6a]2)2(CC[6a]HN)(COO)	N(CC[6a]CH)(CO)	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CC[5a]HH)(NC)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a]HN)(H)2	N(CC[6a]CH)(CCO)	108.9005	2.481	2	108.9005	6.157	2	108.9005	6.157	2	108.2553	2.111	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(H)2	N(CC[6a]CH)(CC[6a]C)	107.9327	1.025	4	107.9327	1.051	4	107.9327	1.051	4	108.2553	2.111	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:1:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:S-4:	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]HH)(NS)(H)	C(C[6a]C[6a]N[6a])(CC[6a]HN)(H)2	N(CC[6a]CH)(SC[6a]OO)	109.3885	0.725	2	109.3885	0.525	2	109.3885	0.525	2	109.3885	0.525	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	3:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C[5]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	N(C[5]C[5,6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	N(C[5]C[5,6a]2)(CC[6a]CH)	106.5140	0.000	1	106.5140	0.000	1	106.5140	0.000	1	107.9270	3.993	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	3:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(C[6a]C[6a]2)(CC[6a]CH)	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	107.9270	3.993	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[5a]-3:C-4:O-2:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[5a]HO)(NN)(H)	C(C[5a]N[5a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(NN)	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	107.6006	0.686	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(NN)	108.9370	0.000	1	108.9370	0.000	1	107.6237	1.337	3	107.6006	0.686	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(NC[6a])	107.1760	0.000	1	107.1760	0.000	1	107.6237	1.337	3	107.6006	0.686	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(NMo)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(NMo)	106.7580	0.000	1	106.7580	0.000	1	107.6237	1.337	3	107.6006	0.686	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CC[6a]HO)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	N(CC[6a]CH)(NN)	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	107.6006	0.686	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:3:	C[6,6]-3:C-4:N-2:H-1:	C[6,6]-3:C-4:N-2:H-1:	C-4:C-3:	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	N(CC[6,6]CH)(CC[6a]H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	C(C[6,6]C[4,6,6]C[6,6])(CC[6,6]HN)(NC)(H)	N(CC[6,6]CH)(CC[6a]H)	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	108.7989	1.093	29	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6,6]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6,6]H)	108.0300	0.403	6	108.0300	0.162	6	108.6949	1.356	20	108.7989	1.093	29	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	108.7008	1.101	12	108.7008	1.211	12	108.6949	1.356	20	108.7989	1.093	29	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a])(H)	N(CC[6a]CH)(CC[6a]H)	109.8500	0.000	1	109.8500	0.000	1	108.6949	1.356	20	108.7989	1.093	29	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NN)(H)	N(CC[6a]CH)(CC[6a]O)	111.4600	0.000	1	111.4600	0.000	1	108.6949	1.356	20	108.7989	1.093	29	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OC)(H)	N(CC[6a]CH)(CC[6a]2)	109.3880	0.000	1	109.3880	0.000	1	109.2133	0.244	8	108.7989	1.093	29	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(OH)(H)	N(CC[6a]CH)(CC[6a]H)	109.1883	0.529	7	109.1883	0.279	7	109.2133	0.244	8	108.7989	1.093	29	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:P-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a]2)(CC[6a]HN)(NP)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[5])(H)	N(CC[6a]CH)(PC[6a]2O)	108.9670	0.000	1	108.9670	0.000	1	108.9670	0.000	1	109.0750	0.506	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:2:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-4:S-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	N(CC[6a]CH)(SCOO)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	N(CC[6a]CH)(SCOO)	109.1290	0.997	2	109.1290	0.994	2	109.1290	0.994	2	109.0750	0.506	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:3:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	N(CC[6a]CH)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]CH)(NN)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	N(CC[6a]CH)(NC[6a])	105.8200	0.000	1	105.8200	0.000	1	105.8200	0.000	1	105.8200	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:3:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:S-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	N(CC[6a]CH)(SCO)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCH)(H)	N(CC[6a]CH)(SCO)	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	107.8950	0.186	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:3:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6a]H)(H)	N(CC[6a]CH)(CC[6a]H)	108.4490	0.000	1	108.4490	0.000	1	108.0323	0.165	3	107.8950	0.186	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:3:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	N(CC[6a]CH)(CC[6a]2)	107.8240	0.264	2	107.8240	0.070	2	108.0323	0.165	3	107.8950	0.186	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:3:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:S-4:	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]CH)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]O)(H)	N(CC[6a]CH)(SC[6a]OO)	106.2510	0.000	1	106.2510	0.000	1	106.2510	0.000	1	107.7852	1.718	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:3:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CCCH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)(CCCH)	108.5010	0.000	1	108.5010	0.000	1	108.3733	1.714	3	107.7852	1.718	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:3:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)2	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCH)(H)	N(CC[6a]CH)2	109.6140	0.000	1	109.6140	0.000	1	108.3733	1.714	3	107.7852	1.718	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:3:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	N(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	N(CC[6a]CH)(CH3)	107.0050	0.000	1	107.0050	0.000	1	108.3733	1.714	3	107.7852	1.718	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:3:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:S-4:	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]HN)(NS)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHS)(H)	N(CC[6a]CH)(SC[6a]OO)	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.7852	1.718	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:4:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C[6a]-3:C-4:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	N(CC[6a]CH)(CC[6a]2)	C(C[6a]C[6a]2)(CC[6a]CH)(NC)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CCHO)(H)	N(CC[6a]CH)(CC[6a]2)	105.5900	0.000	1	105.5900	0.000	1	105.5900	0.000	1	105.5900	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:4:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	B[5]-3:C-4:C-4:H-1:	C-4:S-4:	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	N(CC[6a]CH)(SNOO)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	N(CC[6a]CH)(SNOO)	107.1550	0.000	1	107.1550	0.000	1	107.1550	0.000	1	107.8320	0.917	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	3:4:4:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C[6]-3:C-4:C-4:H-1:	C-4:S-4:	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6]CH)(NS)(H)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	N(CC[6a]CH)(SC[6a]OO)	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	107.8320	0.917	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CRu)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CRu)	108.6075	0.859	2	108.6075	0.738	2	108.6075	0.738	2	108.3080	0.638	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CH3)(NN)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(NC)	C(C[6a]C[6a]2)(CH3)(NN)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(NC)	107.7090	0.000	1	107.7090	0.000	1	107.7090	0.000	1	108.3080	0.638	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[5a]-3:C-4:N-2:H-1:	C-4:F-1:F-1:F-1:	C-4:S-3:	C(C[5a]C[5a]S[5a])(CF3)(NS)(H)	C(CC[5a]HN)(F)3	N(CC[5a]CH)(SCO)	C(C[5a]C[5a]S[5a])(CF3)(NS)(H)	C(CC[5a]HN)(F)3	N(CC[5a]CH)(SCO)	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]O)	107.7530	0.000	1	107.7530	0.000	1	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5a]H)	107.8040	0.580	2	107.8040	0.336	2	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]H)	107.7677	0.672	6	107.7677	0.451	6	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)	108.2430	1.490	3	108.2430	2.220	3	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCC)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCC)	108.2270	0.000	1	108.2270	0.000	1	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCN)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCN)	108.9750	0.000	1	108.9750	0.000	1	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CCO)	109.3412	1.303	5	109.3412	1.699	5	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[3]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[3]O)	108.3110	0.000	1	108.3110	0.000	1	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[3x4]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[3x4]O)	107.8315	0.926	2	107.8315	0.857	2	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[4]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[4]H)	109.0890	0.000	1	109.0890	0.000	1	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5]H)	108.3470	0.000	1	108.3470	0.000	1	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5a]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[5a]H)	108.8509	0.790	8	108.8509	0.625	8	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6]H)	108.5615	0.001	2	108.5615	0.000	2	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]H)	108.6295	1.861	25	108.6295	3.464	25	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]O)	109.0015	0.593	4	109.0015	0.352	4	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(COO)	108.8380	0.755	2	108.8380	0.570	2	108.5748	1.815	65	108.6066	1.854	66	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:S-4:	C(C[6a]C[6a]2)(CCl3)(NS)(H)	C(CC[6a]HN)(Cl)3	N(CC[6a]CH)(SCOO)	C(C[6a]C[6a]2)(CCl3)(NS)(H)	C(CC[6a]HN)(Cl)3	N(CC[6a]CH)(SCOO)	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	108.4818	1.710	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(CH3)(NC)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(CC[6a]HH)	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	108.4818	1.710	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2O)	C(C[6a]C[6a,6a]C[6a])(CH3)(NP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2O)	109.4530	2.373	2	109.4530	5.631	2	108.5473	1.659	6	108.4818	1.710	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:1:1:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(C[6a]C[6a]2)(CH3)(NP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2N)	C(C[6a]C[6a]2)(CH3)(NP)(H)	C(CC[6a]HN)(H)3	N(CC[6a]CH)(PC[6a]2N)	108.0945	0.259	4	108.0945	0.067	4	108.5473	1.659	6	108.4818	1.710	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CCH)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(CCH)	109.3330	0.000	1	109.3330	0.000	1	108.7125	0.770	2	108.7125	0.770	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:2:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CHHO)(NC)(H)	C(CC[6a]HN)(OH)(H)2	N(CC[6a]CH)(COO)	108.0920	0.000	1	108.0920	0.000	1	108.7125	0.770	2	108.7125	0.770	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:1:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:Br-1:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	C(CC[6a]HN)(CC[6a]O)(Br)(H)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CBrCH)(NN)(H)	C(CC[6a]HN)(CC[6a]O)(Br)(H)	N(CC[6a]CH)(NN)	106.0680	0.000	1	106.0680	0.000	1	106.0680	0.000	1	107.0520	1.937	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:1:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C(CC[6a]HN)(CC[6a]O)(H)2	N(CC[6a]CH)(NN)	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	107.0520	1.937	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:F-1:F-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCFF)(NC)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	N(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CCFF)(NC)(H)	C(CC[6a]HN)(CC[6a]O)(F)2	N(CC[6a]CH)(CC[6a]O)	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	109.1133	0.137	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:H-1:O-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHO)(NC)(H)	C(CC[6a]HN)(CC[6a]O)(H)(O)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCHO)(NC)(H)	C(CC[6a]HN)(CC[6a]O)(H)(O)	N(CC[6a]CH)(COO)	109.0010	0.000	1	109.0010	0.000	1	109.0010	0.000	1	109.1133	0.137	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:N-3:Cl-1:Cl-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	C(CC[6a]HN)(NOO)(Cl)2	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCl2N)(NC)(H)	C(CC[6a]HN)(NOO)(Cl)2	N(CC[6a]CH)(COO)	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	109.1133	0.137	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:1:1:	4:4:	C-3:C-4:N-2:H-1:	C-4:C-3:H-1:H-1:	S-4:C-4:	C(CC[6a]O)(CCHH)(NS)(H)	C(CCHN)(CCC)(H)2	N(SC[6a]OO)(CCCH)	C(CC[6a]O)(CCHH)(NS)(H)	C(CCHN)(CCC)(H)2	N(SC[6a]OO)(CCCH)	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	111.8790	4.275	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:1:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:H-1:O-1:	P-4:C-4:	C(C[6a]C[6a]2)(CCHO)(NP)(H)	C(CC[6a]HN)(CC[6a]O)(H)(O)	N(PC[6a]C[6]O)(CC[6a]CH)	C(C[6a]C[6a]2)(CCHO)(NP)(H)	C(CC[6a]HN)(CC[6a]O)(H)(O)	N(PC[6a]C[6]O)(CC[6a]CH)	113.0720	0.099	2	113.0720	0.010	2	113.0720	0.010	2	111.8790	4.275	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:2:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:N-2:H-1:	C-4:S-4:	C(C[6a]C[6a]2)(CCHN)(NS)(H)	C(CC[6a]HN)(COO)(NC)(H)	N(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	C(CC[6a]HN)(COO)(NC)(H)	N(CC[6a]CH)(SC[6a]OO)	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:3:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:C-3:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C(CC[6a]HN)(CCO)(CNO)(H)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C(CC[6a]HN)(CCO)(CNO)(H)	N(CC[6a]CH)(NN)	103.2540	0.000	1	103.2540	0.000	1	103.2540	0.000	1	104.1070	1.455	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:3:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:N-3:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(COO)(NCC)(H)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(COO)(NCC)(H)	N(CC[6a]CH)(NN)	104.9600	0.000	1	104.9600	0.000	1	104.9600	0.000	1	104.1070	1.455	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:3:2:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:C-3:O-2:	C-4:C-3:	C(C[6a]C[6a]2)(CCCO)(NC)(H)	C(CC[6a]HN)(CCO)2(OH)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCCO)(NC)(H)	C(CC[6a]HN)(CCO)2(OH)	N(CC[6a]CH)(COO)	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:4:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:C-4:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCCH)(NN)(H)	C(CC[6a]HN)(CN[5]O)(CCHH)(H)	N(CC[6a]CH)(NN)	104.7010	0.000	1	104.7010	0.000	1	104.7010	0.000	1	104.7010	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:3:4:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:C-3:C-4:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	N(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(CC[6a]HN)(CN[5]O)(CF3)(H)	N(CC[6a]CH)(COO)	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:1:1:	4:2:	C-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CC[4]H)(CCHH)(NN)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(NN)	C(CC[4]H)(CCHH)(NN)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(NN)	105.7060	0.000	1	105.7060	0.000	1	109.4510	28.050	2	108.2037	11.446	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:1:1:	4:2:	C-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CN[5]O)(CCHH)(NN)(H)	C(CCHN)(CC3)(H)2	N(CCCH)(NN)	C(CN[5]O)(CCHH)(NN)(H)	C(CCHN)(CC3)(H)2	N(CCCH)(NN)	113.1960	0.000	1	113.1960	0.000	1	109.4510	28.050	2	108.2037	11.446	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:1:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C(CC[6a]HN)(CHHN)(H)2	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHH)(NN)(H)	C(CC[6a]HN)(CHHN)(H)2	N(CC[6a]CH)(NN)	106.9565	0.258	2	106.9565	0.067	2	106.9565	0.067	2	108.2037	11.446	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:1:1:	4:3:	C-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CN[5]O)(CCHH)(NC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)	C(CN[5]O)(CCHH)(NC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(CCO)	113.0090	0.000	1	113.0090	0.000	1	114.6195	5.187	2	111.1898	13.392	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:1:1:	4:3:	C-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CN[5]O)(CCHH)(NC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)	C(CN[5]O)(CCHH)(NC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)	116.2300	0.000	1	116.2300	0.000	1	114.6195	5.187	2	111.1898	13.392	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:1:1:	4:3:	C-3:C-4:N-2:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:	C(CN[5]O)(CHHN)(NC)(H)	C(CCHN)(NCCH)(H)2	N(CCCH)(COO)	C(CN[5]O)(CHHN)(NC)(H)	C(CCHN)(NCCH)(H)2	N(CCCH)(COO)	110.4640	0.000	1	110.4640	0.000	1	110.4640	0.000	1	111.1898	13.392	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)(CNS)	C(C[6a]C[6a]2)(CCHH)(NC)(H)	C(CC[6a]HN)(CH3)(H)2	N(CC[6a]CH)(CNS)	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	111.1898	13.392	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:1:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:	C(C[6a]C[6a]2)(CCHH)(NS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(SCO)	C(C[6a]C[6a]2)(CCHH)(NS)(H)	C(CC[6a]HN)(CCHH)(H)2	N(CC[6a]CH)(SCO)	106.4620	0.000	1	106.4620	0.000	1	106.4620	0.000	1	111.1898	13.392	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:1:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:Br-1:H-1:	C-4:S-4:	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	C(CC[6a]HN)(CH3)(Br)(H)	N(CC[6a]CH)(SO3)	C(C[6a]C[6a]2)(CBrCH)(NS)(H)	C(CC[6a]HN)(CH3)(Br)(H)	N(CC[6a]CH)(SO3)	105.5960	0.000	1	105.5960	0.000	1	105.5960	0.000	1	105.5960	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:2:1:	3:4:	C-3:C-4:N-2:H-1:	C-4:C-4:N-2:H-1:	C-3:C-4:	C(CN[6]O)(CCHN)(NC)(H)	C(CClCC)(CCHN)(NS)(H)	N(CC[6a]2)(CCCH)	C(CN[6]O)(CCHN)(NC)(H)	C(CClCC)(CCHN)(NS)(H)	N(CC[6a]2)(CCCH)	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	107.8960	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:2:1:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:N-2:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C(CC[6a]HN)(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	C(CC[6a]HN)(CH3)(NC)(H)	N(CC[6a]CH)(CC[6a]H)	109.3200	2.005	2	109.3200	4.021	2	109.3200	4.021	2	109.3200	4.021	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:2:2:	4:2:	C-3:C-4:N-2:H-1:	C-4:C-4:C-2:O-2:	C-4:N-2:	C(CN[5]O)(CCCO)(NN)(H)	C(CCHN)(CF3)(CC)(OH)	N(CCCH)(NN)	C(CN[5]O)(CCCO)(NN)(H)	C(CCHN)(CF3)(CC)(OH)	N(CCCH)(NN)	110.2965	0.254	2	110.2965	0.064	2	110.2965	0.064	2	110.2965	0.064	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:3:1:	4:2:	C-3:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:N-2:	C(CC[6a]O)(CCCH)(NN)(H)	C(CCHN)(CHHN)(CCH)(H)	N(CCCH)(NN)	C(CC[6a]O)(CCCH)(NN)(H)	C(CCHN)(CHHN)(CCH)(H)	N(CCCH)(NN)	105.8310	0.000	1	105.8310	0.000	1	105.8310	0.000	1	107.5787	8.335	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:3:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:N-3:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(CH3)(NHS)(H)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(CH3)(NHS)(H)	N(CC[6a]CH)(NN)	105.9940	0.000	1	105.9940	0.000	1	108.4525	12.088	2	107.5787	8.335	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:3:1:	4:2:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:N-3:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(CHHO)(NHS)(H)	N(CC[6a]CH)(NN)	C(C[6a]C[6a]2)(CCHN)(NN)(H)	C(CC[6a]HN)(CHHO)(NHS)(H)	N(CC[6a]CH)(NN)	110.9110	0.000	1	110.9110	0.000	1	108.4525	12.088	2	107.5787	8.335	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:3:1:	4:4:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-4:	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	N(CC[5,5,6]HH)(CC[6a]CH)	C(C[6a]C[6a]2)(CCCH)(NC)(H)	C(CC[6a]HN)(CC[6a]HO)(COO)(H)	N(CC[5,5,6]HH)(CC[6a]CH)	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	109.7990	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:4:1:	4:3:	C[5a]-3:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(COO)	C(C[5a]C[5a]O[5a])(CCCH)(NC)(H)	C(CC[5a]HN)(CC[6a]HN)(CH3)(H)	N(CC[5a]CH)(COO)	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:4:4:	4:2:	C-3:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:N-2:	C(CN[5]O)(CC3)(NN)(H)	C(CCHH)3(CCHN)	N(CCCH)(NN)	C(CN[5]O)(CC3)(NN)(H)	C(CCHH)3(CCHN)	N(CCCH)(NN)	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:1:	4:4:4:4:	4:3:	C[6a]-3:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C(CC[6a]HN)(CH3)3	N(CC[6a]CH)(CCO)	C(C[6a]C[6a]N[6a])(CC3)(NC)(H)	C(CC[6a]HN)(CH3)3	N(CC[6a]CH)(CCO)	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:2:2:	4:2:1:1:	4:2:	C-3:C-4:N-2:N-2:	C-4:O-2:H-1:H-1:	C-4:N-2:	C(CC[6a]O)(CHHO)(NN)2	C(CCNN)(OC)(H)2	N(CCCN)(NN)	C(CC[6a]O)(CHHO)(NN)2	C(CCNN)(OC)(H)2	N(CCCN)(NN)	107.6700	4.014	2	107.6700	16.108	2	107.6700	16.108	2	107.6700	16.108	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:3:2:	4:4:1:1:	4:1:	C[6a]-3:C-4:C-3:N-2:	C-4:C-4:H-1:H-1:	C-4:C-1:	C(C[6a]C[6a]2)(CCHH)(COO)(NC)	C(CC[6a]CN)(CClCH)(H)2	N(CC[6a]CC)(C)	C(C[6a]C[6a]2)(CCHH)(COO)(NC)	C(CC[6a]CN)(CClCH)(H)2	N(CC[6a]CC)(C)	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:3:2:	4:4:4:1:	4:1:	C[6a]-3:C-4:C-3:N-2:	C-4:C-4:C-4:H-1:	C-4:C-1:	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	C(CC[6a]CN)(CCHH)(CF3)(H)	N(CC[6a]CC)(C)	C(C[6a]C[6a]2)(CCCH)(COO)(NC)	C(CC[6a]CN)(CCHH)(CF3)(H)	N(CC[6a]CC)(C)	109.3625	0.162	2	109.3625	0.026	2	109.3625	0.026	2	109.3625	0.026	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	3:4:1:1:	4:3:	C[6a]-3:C-4:C-4:N-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	N(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	C(C[6a]C[6a]2)(CC[6a]CN)(H)2	N(CC[6a]CC)(CCO)	104.3840	0.000	1	104.3840	0.000	1	104.3840	0.000	1	104.3840	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:1:1:1:	4:2:	C[5a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	C(CC[5a]CN)(H)3	N(CC[5a]CC)(NN)	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	C(CC[5a]CN)(H)3	N(CC[5a]CC)(NN)	107.4050	0.000	1	107.4050	0.000	1	107.3170	9.572	3	108.0333	10.931	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:1:1:1:	4:2:	C[5a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[5a]C[5a]N[5a])(CH3)2(NN)	C(CC[5a]CN)(H)3	N(CC[5a]CC)(NN)	C(C[5a]C[5a]N[5a])(CH3)2(NN)	C(CC[5a]CN)(H)3	N(CC[5a]CC)(NN)	107.2730	4.374	2	107.2730	19.133	2	107.3170	9.572	3	108.0333	10.931	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(NN)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(NN)	108.2203	0.462	3	108.2203	0.214	3	108.4630	13.727	5	108.0333	10.931	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:1:1:1:	4:2:	C[6a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CH3)2(NN)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(NC)	C(C[6a]C[6a]2)(CH3)2(NN)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(NC)	108.8270	7.351	2	108.8270	54.038	2	108.4630	13.727	5	108.0333	10.931	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CCO)	C(C[6a]C[6a]2)(CC[6a]HH)(CH3)(NC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CCO)	108.2700	0.000	1	108.2700	0.000	1	109.0972	16.615	42	109.0972	16.615	42	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)2(NC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)2(NC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CC[6a]H)	109.1836	4.199	39	109.1836	17.632	39	109.0972	16.615	42	109.0972	16.615	42	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:1:1:1:	4:3:	C[6a]-3:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6a]C[6a]2)(CH3)2(NC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CNO)	C(C[6a]C[6a]2)(CH3)2(NC)	C(CC[6a]CN)(H)3	N(CC[6a]CC)(CNO)	107.8270	2.649	2	107.8270	7.016	2	109.0972	16.615	42	109.0972	16.615	42	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:1:1:1:	4:4:	C[6a]-3:C-4:P-4:N-2:	C-4:H-1:H-1:H-1:	C-4:S-4:	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	C(CC[6a]NP)(H)3	N(CC[6a]CP)(SC[6a]OO)	C(C[6a]C[6a]2)(CH3)(PO3)(NS)	C(CC[6a]NP)(H)3	N(CC[6a]CP)(SC[6a]OO)	112.5970	0.000	1	112.5970	0.000	1	112.5970	0.000	1	112.5970	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:4:2:1:	4:2:	C[6a]-3:C-4:C-4:N-2:	C-4:C-4:O-2:H-1:	C-4:N-2:	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	N(CC[6a]CC)(NN)	C(C[6a]C[6a]2)(CCHO)(CH3)(NN)	C(CC[6a]CN)(CC[6a]CO)(OH)(H)	N(CC[6a]CC)(NN)	102.6427	1.762	3	102.6427	3.106	3	102.6427	3.106	3	102.6427	3.106	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	3:4:4:2:	4:4:4:1:	4:2:	C[5a]-3:C-4:C-4:N-2:	C-4:C-4:C-4:H-1:	C-4:N-2:	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	C(CC[5a]CN)(CH3)2(H)	N(CC[5a]CC)(NN)	C(C[5a]C[5a]N[5a])(CCCH)(CH3)(NN)	C(CC[5a]CN)(CH3)2(H)	N(CC[5a]CC)(NN)	103.0870	0.000	1	103.0870	0.000	1	103.0870	0.000	1	103.0870	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	2:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:	C(CHHO)(NC)(H)2	C(OC[6a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CHHO)(NC)(H)2	C(OC[6a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	110.8645	0.193	2	110.8645	0.037	2	106.6222	24.019	4	108.0257	19.297	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	2:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-3:C-4:	C(CHHO)(NC)(H)2	C(OSi[5])(CHHN)(H)2	N(CC[6a]C)(CCHH)	C(CHHO)(NC)(H)2	C(OSi[5])(CHHN)(H)2	N(CC[6a]C)(CCHH)	102.3800	0.181	2	102.3800	0.033	2	106.6222	24.019	4	108.0257	19.297	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	2:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-3:C-4:	C(CHHS)(NC)(H)2	C(SC[6a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CHHS)(NC)(H)2	C(SC[6a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	108.0257	19.297	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	2:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	Se-2:C-4:H-1:H-1:	C-3:C-4:	C(CSeHH)(NC)(H)2	C(SeC[6a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CSeHH)(NC)(H)2	C(SeC[6a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	108.0257	19.297	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	2:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:N-2:	C(CHHO)(NN)(H)2	C(OC[6])(CHHN)(H)2	N(CCHH)(NN)	C(CHHO)(NN)(H)2	C(OC[6])(CHHN)(H)2	N(CCHH)(NN)	112.5430	0.000	1	112.5430	0.000	1	112.8890	0.161	3	112.8890	0.161	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	2:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:N-2:	C(CHHO)(NN)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(NN)	C(CHHO)(NN)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(NN)	113.0620	0.378	2	113.0620	0.143	2	112.8890	0.161	3	112.8890	0.161	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	2:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	O-2:C-4:H-1:H-1:	C-4:C-3:	C(CHHO)(NC)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CCO)	C(CHHO)(NC)(H)2	C(OC[6a])(CHHN)(H)2	N(CCHH)(CCO)	111.1350	2.348	2	111.1350	5.511	2	111.1350	5.511	2	111.1350	5.511	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	2:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	S-2:C-4:H-1:H-1:	C-4:C-4:	C(CHHS)(NC)(H)2	C(SC[6a])(CHHN)(H)2	N(CC[6a]HH)(CCHH)	C(CHHS)(NC)(H)2	C(SC[6a])(CHHN)(H)2	N(CC[6a]HH)(CCHH)	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[5]HH)(NC)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	N(CC[5a]H)(CCHH)	C(CC[5]HH)(NC)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	N(CC[5a]H)(CCHH)	111.0690	0.455	2	111.0690	0.207	2	111.0690	0.207	2	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[5]H)(CCHH)	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[5]H)(CCHH)	110.0450	0.000	1	110.0450	0.000	1	109.5532	1.813	6	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	108.6975	2.391	2	108.6975	5.716	2	109.5532	1.813	6	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	110.1995	0.896	2	110.1995	0.803	2	109.5532	1.813	6	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a]S[5a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	109.4800	0.000	1	109.4800	0.000	1	109.5532	1.813	6	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C[5]-3:C-4:	C(CC[5a]HH)(NC[5])(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(C[5]C[5,6a]C[5])(CCHH)	C(CC[5a]HH)(NC[5])(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(C[5]C[5,6a]C[5])(CCHH)	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6]HH)(NC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CC[6a]O)(CCHH)	C(CC[6]HH)(NC)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CC[6a]O)(CCHH)	113.2790	0.000	1	113.2790	0.000	1	113.2790	0.000	1	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[5a]H)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[5a]H)(CCHH)	112.2380	0.000	1	112.2380	0.000	1	110.4953	1.947	10	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]2)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]2)(CCHH)	111.5850	0.000	1	111.5850	0.000	1	110.4953	1.947	10	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]H)(CCHH)	110.1599	1.430	7	110.1599	2.046	7	110.4953	1.947	10	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CC[6a]O)(CCHH)	110.0110	0.000	1	110.0110	0.000	1	110.4953	1.947	10	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(NC[5]H)(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(NC[5]H)(CHHN)(H)2	N(CC[6a]H)(CCHH)	110.3580	0.000	1	110.3580	0.000	1	111.3460	1.580	4	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CC[6a]H)(CCHH)	111.6753	1.311	3	111.6753	1.719	3	111.3460	1.580	4	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5]HH)(NC)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(N[5]C[5,6]C[5])(CHHN)(H)2	N(CC[6a]H)(CCHH)	109.3531	1.567	7	109.3531	2.456	7	109.9673	1.391	21	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5]HH)(NC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[5a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[5a]H)(CCHH)	109.6805	0.767	2	109.6805	0.589	2	109.9673	1.391	21	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5]HH)(NC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CN[5]HH)(NC)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N(CC[6a]H)(CCHH)	110.3733	0.837	12	110.3733	0.701	12	109.9673	1.391	21	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5a]HH)(NC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CN[5a]HH)(NC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	110.3560	0.000	1	110.3560	0.000	1	110.9510	0.708	2	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[5a]HH)(NC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CN[5a]HH)(NC)(H)2	C(N[5a]C[5a]N[5a])(CHHN)(H)2	N(CC[6a]H)(CCHH)	111.5460	0.000	1	111.5460	0.000	1	110.9510	0.708	2	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-3:C-4:	C(CN[6]HH)(NC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CN[6]HH)(NC)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CC[6a]H)(CCHH)	110.2435	0.906	2	110.2435	0.820	2	110.2435	0.820	2	110.3338	1.746	49	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:1:	C-4:N-2:F-1:F-1:	C[6a]-3:C-4:H-1:H-1:	C-4:O-1:	C(CC[6a]HH)(NO)(F)2	C(C[6a]C[6a]2)(CFFN)(H)2	N(CCFF)(O)	C(CC[6a]HH)(NO)(F)2	C(C[6a]C[6a]2)(CFFN)(H)2	N(CCFF)(O)	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	111.0475	0.815	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:1:	C-4:N-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C-4:H-1:	C(CN[6]HH)(NH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(H)	C(CN[6]HH)(NH)(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(CCHH)(H)	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.0475	0.815	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(NN)(H)2	C(CC[6a]O)(CHHN)(H)2	N(CCHH)(NN)	C(CCHH)(NN)(H)2	C(CC[6a]O)(CHHN)(H)2	N(CCHH)(NN)	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	109.8724	8.589	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:N-2:	C(CC[6]HH)(NN)(H)2	C(C[6]C[6]2)(CHHN)(H)2	N(CCHH)(NN)	C(CC[6]HH)(NN)(H)2	C(C[6]C[6]2)(CHHN)(H)2	N(CCHH)(NN)	110.6230	0.000	1	110.6230	0.000	1	108.1263	24.009	3	109.8724	8.589	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C[6]-3:C-4:H-1:H-1:	C-4:N-2:	C(CC[6]HH)(NN)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CCHH)(NN)	C(CC[6]HH)(NN)(H)2	C(C[6]C[6]N[6])(CHHN)(H)2	N(CCHH)(NN)	106.8780	6.218	2	106.8780	38.667	2	108.1263	24.009	3	109.8724	8.589	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-2:	C(CHHN)(NN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)(NN)	C(CHHN)(NN)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)(NN)	109.9810	1.590	3	109.9810	2.529	3	109.9998	1.265	5	109.8724	8.589	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:N-2:	C(CHHN)(NN)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(NN)	C(CHHN)(NN)(H)2	C(NC[6a]H)(CHHN)(H)2	N(CCHH)(NN)	110.0280	0.000	2	110.0280	0.000	2	109.9998	1.265	5	109.8724	8.589	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	N[6a]-3:C-4:H-1:H-1:	C-4:C-2:	C(CN[6a]HH)(NC)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CS)	C(CN[6a]HH)(NC)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CS)	113.0610	0.305	2	113.0610	0.093	2	113.0610	0.093	2	109.8724	8.589	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-3:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CN[5]O)(CHHN)(H)2	N(CCHH)(CSS)	C(CCHH)(NC)(H)2	C(CN[5]O)(CHHN)(H)2	N(CCHH)(CSS)	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	111.3314	3.730	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CCO)	C(CC[5a]HH)(NC)(H)2	C(C[5a]C[5a,6a]C[5a])(CHHN)(H)2	N(CCHH)(CCO)	113.7470	0.000	1	113.7470	0.000	1	113.7470	0.000	1	111.3314	3.730	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCO)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CCO)	111.6130	1.213	2	111.6130	1.472	2	111.4196	2.086	5	111.3314	3.730	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CHO)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CHO)	113.2420	0.000	1	113.2420	0.000	1	111.4196	2.086	5	111.3314	3.730	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CNN)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]2)(CHHN)(H)2	N(CCHH)(CNN)	111.0350	0.000	1	111.0350	0.000	1	111.4196	2.086	5	111.3314	3.730	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CCC)	C(CC[6a]HH)(NC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)(H)2	N(CCHH)(CCC)	109.5950	0.000	1	109.5950	0.000	1	111.4196	2.086	5	111.3314	3.730	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	S-4:C-4:	C(CC[5]HH)(NS)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	N(SC[6a]OO)(CCHH)	C(CC[5]HH)(NS)(H)2	C(C[5]C[5,6a]C[5])(CHHN)(H)2	N(SC[6a]OO)(CCHH)	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	111.5250	0.135	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	N-3:C-4:H-1:H-1:	C-4:C-4:	C(CHHN)(NC)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)2	C(CHHN)(NC)(H)2	C(NC[6a]C)(CHHN)(H)2	N(CCHH)2	111.7530	0.014	2	111.7530	0.000	2	111.7530	0.000	2	111.5250	0.135	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6]-4:C-4:	C(CN[6]HH)(NC[6])(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)	C(CN[6]HH)(NC[6])(H)2	C(N[6]C[6]2)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)	111.6110	0.000	1	111.6110	0.000	1	111.6110	0.000	1	111.5250	0.135	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:2:1:	4:1:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:O-2:H-1:	C-4:H-1:	C(CC[6a]HO)(NH)(H)2	C(C[6a]C[6a]2)(CHHN)(ON)(H)	N(CCHH)(H)	C(CC[6a]HO)(NH)(H)2	C(C[6a]C[6a]2)(CHHN)(ON)(H)	N(CCHH)(H)	115.7900	0.000	1	115.7900	0.000	1	115.7900	0.000	1	115.7900	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:3:1:	4:4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	P-4:C-4:	C(CC[6a]HN)(NP)(H)2	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	N(PC[6a]3)(CCHH)	C(CC[6a]HN)(NP)(H)2	C(C[6a]C[6a]2)(CHHN)(NCH)(H)	N(PC[6a]3)(CCHH)	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:3:2:	4:2:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:C-3:O-2:	C-4:N-2:	C(CC[6a]CO)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	N(CCHH)(NC)	C(CC[6a]CO)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(COO)(OH)	N(CCHH)(NC)	110.5260	0.000	1	110.5260	0.000	1	110.5260	0.000	1	110.5260	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:4:1:	4:2:	C-4:N-2:H-1:H-1:	C[6]-3:C-4:C-4:Br-1:	C-4:N-2:	C(CC[6]BrC)(NN)(H)2	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	N(CCHH)(NN)	C(CC[6]BrC)(NN)(H)2	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	N(CCHH)(NN)	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.9070	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:4:2:	4:2:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:C-4:O-2:	C-4:N-2:	C(CC[6a]CO)(NN)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	N(CCHH)(NN)	C(CC[6a]CO)(NN)(H)2	C(C[6a]C[6a]2)(CCHH)(CHHN)(OH)	N(CCHH)(NN)	113.2180	0.000	1	113.2180	0.000	1	113.2180	0.000	1	113.2180	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:4:2:	4:3:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:P-4:O-2:	C-4:N-3:	C(CC[6a]OP)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	N(CCHH)(NCO)	C(CC[6a]OP)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(PO3)(OH)	N(CCHH)(NCO)	109.1490	0.461	2	109.1490	0.213	2	109.1490	0.213	2	109.1490	0.213	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:4:3:	4:2:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:C-4:N-3:	C-4:N-2:	C(CC[6a]CN)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	N(CCHH)(NN)	C(CC[6a]CN)(NN)(H)2	C(C[6a]C[6a]2)(CHHN)(CH3)(NCC)	N(CCHH)(NN)	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	3:4:4:4:	3:4:	C-4:N-2:H-1:H-1:	C[6a]-3:C-4:C-4:C-4:	C-3:C-4:	C(CC[6a]CC)(NC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	N(CC[6a]H)(CCHH)	C(CC[6a]CC)(NC)(H)2	C(C[6a]C[6a]N[6a])(CHHN)2(CH3)	N(CC[6a]H)(CCHH)	110.9685	0.077	2	110.9685	0.006	2	110.9685	0.006	2	110.9685	0.006	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CC[5]C)(CCHH)	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CC[5]C)(CCHH)	112.7180	0.000	1	112.7180	0.000	1	111.7103	2.419	3	111.7103	2.419	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CC[6]C)(CCHH)	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CC[6]C)(CCHH)	109.9190	0.000	1	109.9190	0.000	1	111.7103	2.419	3	111.7103	2.419	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CN[5]S)(CCHH)	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CN[5]S)(CCHH)	112.4940	0.000	1	112.4940	0.000	1	111.7103	2.419	3	111.7103	2.419	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:1:	C-4:N-2:H-1:H-1:	C-4:F-1:F-1:F-1:	C-4:C-1:	C(CF3)(NC)(H)2	C(CHHN)(F)3	N(CCHH)(C)	C(CF3)(NC)(H)2	C(CHHN)(F)3	N(CCHH)(C)	110.1510	0.000	1	110.1510	0.000	1	110.1510	0.000	1	110.1510	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CRh)	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CRh)	111.2300	0.000	1	111.2300	0.000	1	112.0633	0.533	3	112.0633	0.533	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CRu)	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CRu)	112.4800	0.158	2	112.4800	0.025	2	112.0633	0.533	3	112.0633	0.533	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-3:	C(CClHH)(NC)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(COP)	C(CClHH)(NC)(H)2	C(CHHN)(Cl)(H)2	N(CCHH)(COP)	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	111.8583	5.676	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CCN)	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CCN)	109.0755	0.170	2	109.0755	0.029	2	111.8081	5.959	18	111.8583	5.676	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CCO)	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CCO)	111.4290	1.373	2	111.4290	1.886	2	111.8081	5.959	18	111.8583	5.676	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CHO)	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CHO)	111.8810	0.000	1	111.8810	0.000	1	111.8081	5.959	18	111.8583	5.676	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CNS)	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CNS)	112.3410	2.802	11	112.3410	7.851	11	111.8081	5.959	18	111.8583	5.676	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CPS)	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)(CPS)	111.9520	1.575	2	111.9520	2.482	2	111.8081	5.959	18	111.8583	5.676	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)2	C(CH3)(NC)(H)2	C(CHHN)(H)3	N(CCHH)2	117.6578	9.493	8	117.6578	90.113	8	117.6578	90.113	8	116.3422	78.375	10	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:1:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:H-1:H-1:N-1:	C-4:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(H)2(N)	N(CCHH)2	C(CHHN)(NC)(H)2	C(CHHN)(H)2(N)	N(CCHH)2	111.0800	2.314	2	111.0800	5.353	2	111.0800	5.353	2	116.3422	78.375	10	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[5a]C)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[5a]C)(CCHH)	110.1880	0.735	2	110.1880	0.541	2	109.8843	0.725	87	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[5a]H)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[5a]H)(CCHH)	109.8152	0.484	10	109.8152	0.234	10	109.8843	0.725	87	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[6]H)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[6]H)(CCHH)	110.9592	2.024	4	110.9592	4.095	4	109.8843	0.725	87	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]2)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]2)(CCHH)	109.8330	0.664	6	109.8330	0.441	6	109.8843	0.725	87	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]C)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]C)(CCHH)	109.8430	1.043	13	109.8430	1.089	13	109.8843	0.725	87	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CC[6a]H)(CCHH)	109.8195	0.729	52	109.8195	0.531	52	109.8843	0.725	87	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(NC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]H)(CCHH)	C(CHHO)(NC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]H)(CCHH)	112.0215	0.353	2	112.0215	0.125	2	110.7676	1.053	14	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(NC)(H)2	C(CHHN)(OH)(H)2	N(CC[5]O)(CCHH)	C(CHHO)(NC)(H)2	C(CHHN)(OH)(H)2	N(CC[5]O)(CCHH)	111.3520	0.000	1	111.3520	0.000	1	110.7676	1.053	14	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(NC)(H)2	C(CHHN)(OH)(H)2	N(CC[5a]H)(CCHH)	C(CHHO)(NC)(H)2	C(CHHN)(OH)(H)2	N(CC[5a]H)(CCHH)	109.6530	0.000	1	109.6530	0.000	1	110.7676	1.053	14	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(NC)(H)2	C(CHHN)(OH)(H)2	N(CC[6]H)(CCHH)	C(CHHO)(NC)(H)2	C(CHHN)(OH)(H)2	N(CC[6]H)(CCHH)	111.5950	0.000	1	111.5950	0.000	1	110.7676	1.053	14	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(NC)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]H)(CCHH)	C(CHHO)(NC)(H)2	C(CHHN)(OH)(H)2	N(CC[6a]H)(CCHH)	110.2188	0.679	8	110.2188	0.461	8	110.7676	1.053	14	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(NC)(H)2	C(CHHN)(ON)(H)2	N(CC[6]O)(CCHH)	C(CHHO)(NC)(H)2	C(CHHN)(ON)(H)2	N(CC[6]O)(CCHH)	112.3540	0.000	1	112.3540	0.000	1	110.7676	1.053	14	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-3:C-4:	C(CHHS)(NC)(H)2	C(CHHN)(SS)(H)2	N(CC[6a]O)(CCHH)	C(CHHS)(NC)(H)2	C(CHHN)(SS)(H)2	N(CC[6a]O)(CCHH)	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	110.0119	0.849	102	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:2:	C-4:N-2:Cl-1:Cl-1:	C-4:N-2:Cl-1:Cl-1:	C-4:N-2:	C(CCl2N)(NN)(Cl)2	C(CCl2N)(NN)(Cl)2	N(CCl2C)(NC)	C(CCl2N)(NN)(Cl)2	C(CCl2N)(NN)(Cl)2	N(CCl2C)(NC)	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	111.2426	9.165	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-2:	C(CHHN)(NC)(H)2	C(CHHN)(NN)(H)2	N(CCHH)(CMo)	C(CHHN)(NC)(H)2	C(CHHN)(NN)(H)2	N(CCHH)(CMo)	110.3530	0.938	2	110.3530	0.879	2	110.6087	0.636	3	111.2426	9.165	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-2:	C(CHHN)(NC)(H)2	C(CHHN)(NN)(H)2	N(CCHH)(CRu)	C(CHHN)(NC)(H)2	C(CHHN)(NN)(H)2	N(CCHH)(CRu)	111.1200	0.000	1	111.1200	0.000	1	110.6087	0.636	3	111.2426	9.165	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:N-2:	C(CHHN)(NN)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(NN)	C(CHHN)(NN)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(NN)	110.3403	3.180	3	110.3403	10.110	3	110.3403	10.110	3	111.2426	9.165	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-2:	C(CHHO)(NN)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(NN)	C(CHHO)(NN)(H)2	C(CHHN)(OC)(H)2	N(CCHH)(NN)	112.2764	3.780	7	112.2764	14.290	7	112.0925	10.025	11	111.2426	9.165	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:N-2:	C(CHHO)(NN)(H)2	C(CHHN)(OP)(H)2	N(CCHH)(NN)	C(CHHO)(NN)(H)2	C(CHHN)(OP)(H)2	N(CCHH)(NN)	111.7705	2.149	4	111.7705	4.618	4	112.0925	10.025	11	111.2426	9.165	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CCC)	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CCC)	110.0723	1.560	3	110.0723	2.433	3	109.6466	0.918	9	109.7165	3.658	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CCH)	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CCH)	109.3796	0.627	5	109.3796	0.393	5	109.6466	0.918	9	109.7165	3.658	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CNN)	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)(CNN)	109.7040	0.000	1	109.7040	0.000	1	109.6466	0.918	9	109.7165	3.658	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:N-3:	C(CHHN)(NN)(H)2	C(CHHN)(NN)(H)2	N(CCHH)(NOO)	C(CHHN)(NN)(H)2	C(CHHN)(NN)(H)2	N(CCHH)(NOO)	108.4648	2.401	4	108.4648	5.767	4	108.4648	5.767	4	109.7165	3.658	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:	C(CHHS)(NC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CNN)	C(CHHS)(NC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CNN)	111.0550	0.000	1	111.0550	0.000	1	112.5345	4.378	2	109.7165	3.658	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:	C(CHHS)(NC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CNS)	C(CHHS)(NC)(H)2	C(CHHN)(SC)(H)2	N(CCHH)(CNS)	114.0140	0.000	1	114.0140	0.000	1	112.5345	4.378	2	109.7165	3.658	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-2:H-1:H-1:	C-4:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)2	C(CHHN)(NC)(H)2	C(CHHN)(NC)(H)2	N(CCHH)2	110.8670	0.960	4	110.8670	0.921	4	110.8670	0.921	4	111.6387	2.391	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(NC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)	C(CHHO)(NC)(H)2	C(CHHN)(OC)(H)2	N(CC[6a]HH)(CCHH)	110.9800	0.000	1	110.9800	0.000	1	112.6677	3.011	3	111.6387	2.391	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:2:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:O-2:H-1:H-1:	C-4:C-4:	C(CHHO)(NC)(H)2	C(CHHN)(OP)(H)2	N(CCHH)2	C(CHHO)(NC)(H)2	C(CHHN)(OP)(H)2	N(CCHH)2	113.5115	1.323	2	113.5115	1.750	2	112.6677	3.011	3	111.6387	2.391	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)(CCH)(H)2	N(CC[6a]C)(CCHH)	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	110.9949	4.484	139	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]H)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[5a]H)(CCHH)	112.5668	3.437	22	112.5668	11.810	22	111.0022	4.509	138	110.9949	4.484	139	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]O)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6]O)(CCHH)	113.3560	0.000	1	113.3560	0.000	1	111.0022	4.509	138	110.9949	4.484	139	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]C)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]C)(CCHH)	108.9250	0.000	1	108.9250	0.000	1	111.0022	4.509	138	110.9949	4.484	139	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]H)(CCHH)	110.6510	1.563	95	110.6510	2.442	95	111.0022	4.509	138	110.9949	4.484	139	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]O)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]O)(CCHH)	113.2916	1.377	5	113.2916	1.897	5	111.0022	4.509	138	110.9949	4.484	139	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]H)(CCHH)	110.3057	1.237	9	110.3057	1.529	9	111.0022	4.509	138	110.9949	4.484	139	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]O)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CC[6a]O)(CCHH)	110.2285	0.308	4	110.2285	0.095	4	111.0022	4.509	138	110.9949	4.484	139	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NHH)(H)2	N(CC[5a]W)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NHH)(H)2	N(CC[5a]W)(CCHH)	107.5800	0.000	1	107.5800	0.000	1	111.0022	4.509	138	110.9949	4.484	139	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:1:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(NH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(H)	C(CHHN)(NH)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(H)	111.2675	0.401	2	111.2675	0.161	2	116.8380	93.172	3	116.8380	93.172	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:1:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:H-1:	C(CHHN)(NH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(H)	C(CHHN)(NH)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(H)	127.9790	0.000	1	127.9790	0.000	1	116.8380	93.172	3	116.8380	93.172	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-2:	C(CCHH)(NC)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CRe)	C(CCHH)(NC)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(CRe)	112.6620	0.000	1	112.6620	0.000	1	112.6620	0.000	1	112.7550	20.487	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-2:	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CS)	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CS)	111.9030	0.000	1	111.9030	0.000	1	111.9030	0.000	1	112.7550	20.487	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:N-2:	C(CHHN)(NN)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(NN)	C(CHHN)(NN)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(NN)	112.9912	5.816	4	112.9912	33.826	4	112.9912	33.826	4	112.7550	20.487	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(COO)	C(CCHH)(NC)(H)2	C(CHHN)(CNO)(H)2	N(CCHH)(COO)	114.2460	0.000	1	114.2460	0.000	1	114.2460	0.000	1	111.3433	1.734	13	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCH)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCH)	110.4250	0.426	6	110.4250	0.181	6	111.1014	1.062	12	111.3433	1.734	13	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CCO)	113.1610	0.000	1	113.1610	0.000	1	111.1014	1.062	12	111.3433	1.734	13	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CNO)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CNO)	110.9875	0.375	2	110.9875	0.141	2	111.1014	1.062	12	111.3433	1.734	13	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CNS)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CNS)	112.9760	0.000	1	112.9760	0.000	1	111.1014	1.062	12	111.3433	1.734	13	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CCO)	111.4320	0.000	1	111.4320	0.000	1	111.1014	1.062	12	111.3433	1.734	13	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CNS)	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)(CNS)	111.1230	0.000	1	111.1230	0.000	1	111.1014	1.062	12	111.3433	1.734	13	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)(CH3)	124.4440	0.000	1	124.4440	0.000	1	112.4069	17.893	11	112.0580	14.783	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CCHH)2	110.7957	0.669	4	110.7957	0.448	4	112.4069	17.893	11	112.0580	14.783	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCC)(H)2	N(CC[6a]HH)(CCHH)	110.5440	0.000	1	110.5440	0.000	1	112.4069	17.893	11	112.0580	14.783	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CCCH)(CCHH)	112.1250	0.000	1	112.1250	0.000	1	112.4069	17.893	11	112.0580	14.783	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2	C(CHHN)(NC)(H)2	C(CHHN)(NCH)(H)2	N(CCHH)2	111.5450	2.294	4	111.5450	5.264	4	112.4069	17.893	11	112.0580	14.783	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:	C(CHHN)(NS)(H)2	C(CHHN)(NCC)(H)2	N(SC[6a]OO)(CCHH)	C(CHHN)(NS)(H)2	C(CHHN)(NCC)(H)2	N(SC[6a]OO)(CCHH)	108.9830	0.000	1	108.9830	0.000	1	110.7787	3.501	3	112.0580	14.783	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:	C(CHHN)(NS)(H)2	C(CHHN)(NCH)(H)2	N(SC[6a]OO)(CCHH)	C(CHHN)(NS)(H)2	C(CHHN)(NCH)(H)2	N(SC[6a]OO)(CCHH)	112.7170	0.000	1	112.7170	0.000	1	110.7787	3.501	3	112.0580	14.783	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:	C(CHHN)(NS)(H)2	C(CHHN)(NHS)(H)2	N(SC[6a]OO)(CCHH)	C(CHHN)(NS)(H)2	C(CHHN)(NHS)(H)2	N(SC[6a]OO)(CCHH)	110.6360	0.000	1	110.6360	0.000	1	110.7787	3.501	3	112.0580	14.783	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:3:3:3:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-3:N-3:N-3:	C-4:C-3:	C(CN3)(NC)(H)2	C(CHHN)(NOO)3	N(CCHH)(CCH)	C(CN3)(NC)(H)2	C(CHHN)(NOO)3	N(CCHH)(CCH)	105.5230	0.000	1	105.5230	0.000	1	105.5230	0.000	1	105.5230	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]O)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5]O)(CCHH)	110.9780	0.415	3	110.9780	0.172	3	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]H)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]H)(CCHH)	111.7380	2.285	2	111.7380	5.223	2	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]O)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[5a]O)(CCHH)	115.1957	0.189	3	115.1957	0.036	3	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]H)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]H)(CCHH)	110.0827	0.746	3	110.0827	0.556	3	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]O)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]O)(CCHH)	111.8225	1.395	4	111.8225	1.947	4	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]S)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6]S)(CCHH)	111.3642	0.735	4	111.3642	0.540	4	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]2)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]2)(CCHH)	109.2040	0.000	1	109.2040	0.000	1	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]C)(CCHH)	109.9070	0.000	1	109.9070	0.000	1	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]H)(CCHH)	110.8817	0.899	33	110.8817	0.808	33	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]O)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CC[6a]O)(CCHH)	112.8320	2.039	3	112.8320	4.158	3	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CN[5]2)(CCHH)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CN[5]2)(CCHH)	108.8510	0.000	1	108.8510	0.000	1	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]H)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]H)(CCHH)	112.0400	0.000	1	112.0400	0.000	1	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]O)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6]O)(CCHH)	110.4460	0.506	2	110.4460	0.256	2	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]C)(CCHH)	109.4537	0.506	3	109.4537	0.256	3	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	N(CC[6a]H)(CCHH)	111.0018	0.924	4	111.0018	0.853	4	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)(CHHP)(H)2	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)(CHHP)(H)2	N(CC[6a]H)(CCHH)	110.8750	0.000	1	110.8750	0.000	1	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[5a]H)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[5a]H)(CCHH)	111.1577	0.541	3	111.1577	0.293	3	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[5a]O)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[5a]O)(CCHH)	112.3170	0.000	1	112.3170	0.000	1	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[6]H)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[6]H)(CCHH)	111.9210	0.000	1	111.9210	0.000	1	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[6a]2)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[6a]2)(CCHH)	109.9465	0.238	2	109.9465	0.057	2	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[6a]C)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[6a]C)(CCHH)	110.9668	0.777	6	110.9668	0.603	6	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[6a]H)(CCHH)	110.9059	1.007	21	110.9059	1.015	21	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[6a]O)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CC[6a]O)(CCHH)	113.3143	0.816	3	113.3143	0.666	3	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CN[6]2)(CCHH)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CN[6]2)(CCHH)	109.3365	0.156	2	109.3365	0.024	2	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CC[6a]H)(CCHH)	110.8697	0.571	3	110.8697	0.326	3	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(NC)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CC[6a]H)(CCHH)	C(CCHH)(NC)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CC[6a]H)(CCHH)	111.7023	1.343	3	111.7023	1.804	3	111.1007	1.738	114	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]O)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCCH)(H)2	N(CC[6a]O)(CCHH)	114.4311	2.677	8	114.4311	7.168	8	113.7401	7.697	10	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]H)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6]H)(CCHH)	110.9470	0.000	1	110.9470	0.000	1	113.7401	7.697	10	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-3:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]H)(CCHH)	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	N(CC[6a]H)(CCHH)	111.0050	0.000	1	111.0050	0.000	1	113.7401	7.697	10	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	3:4:	C-4:N-2:H-1:H-1:	P-4:C-4:H-1:H-1:	C-3:C-4:	C(CHHP)(NC)(H)2	C(PC[6a]2O)(CHHN)(H)2	N(CC[6a]O)(CCHH)	C(CHHP)(NC)(H)2	C(PC[6a]2O)(CHHN)(H)2	N(CC[6a]O)(CCHH)	110.2840	0.000	1	110.2840	0.000	1	110.2840	0.000	1	111.3053	2.668	125	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(NH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(H)	C(CCHH)(NH)(H)2	C(CHHN)(CHHO)(H)2	N(CCHH)(H)	114.0430	0.000	1	114.0430	0.000	1	112.3580	3.161	3	112.9996	5.319	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(NH)(H)2	C(CHHN)2(H)2	N(CCHH)(H)	C(CCHH)(NH)(H)2	C(CHHN)2(H)2	N(CCHH)(H)	112.5310	0.000	1	112.5310	0.000	1	112.3580	3.161	3	112.9996	5.319	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:1:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:H-1:	C(CCHH)(NH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(H)	C(CCHH)(NH)(H)2	C(CN[6]HH)(CHHN)(H)2	N(CCHH)(H)	110.5000	0.000	1	110.5000	0.000	1	112.3580	3.161	3	112.9996	5.319	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:1:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:H-1:	C(CHHN)(NH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(H)	C(CHHN)(NH)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(H)	113.9620	3.445	2	113.9620	11.868	2	113.9620	11.868	2	112.9996	5.319	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CB)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CB)	108.5960	0.484	2	108.5960	0.234	2	109.7398	1.327	5	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CPd)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CPd)	110.3510	0.000	1	110.3510	0.000	1	109.7398	1.327	5	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(NC)(H)2	C(CC[6a]2H)(CHHN)(H)2	N(CCHH)(CSe)	C(CCHH)(NC)(H)2	C(CC[6a]2H)(CHHN)(H)2	N(CCHH)(CSe)	110.5780	0.823	2	110.5780	0.677	2	109.7398	1.327	5	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(NN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(NN)	C(CCHH)(NN)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(NN)	110.0072	1.939	5	110.0072	3.761	5	109.3980	2.791	14	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(NN)(H)2	C(CC[6]HH)(CHHN)(H)2	N(CCHH)(NN)	C(CCHH)(NN)(H)2	C(CC[6]HH)(CHHN)(H)2	N(CCHH)(NN)	107.9100	0.110	4	107.9100	0.012	4	109.3980	2.791	14	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(NN)(H)2	C(CHHN)(CHHP)(H)2	N(CCHH)(NN)	C(CCHH)(NN)(H)2	C(CHHN)(CHHP)(H)2	N(CCHH)(NN)	111.4605	0.018	2	111.4605	0.000	2	109.3980	2.791	14	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(NN)(H)2	C(CHHN)2(H)2	N(CCHH)(NN)	C(CCHH)(NN)(H)2	C(CHHN)2(H)2	N(CCHH)(NN)	109.4880	0.116	2	109.4880	0.013	2	109.3980	2.791	14	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(NN)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CCHH)(NN)	C(CCHH)(NN)(H)2	C(CN[5a]HH)(CHHN)(H)2	N(CCHH)(NN)	107.9990	0.000	1	107.9990	0.000	1	109.3980	2.791	14	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-2:	C(CHHN)(NN)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(NN)	C(CHHN)(NN)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(NN)	110.7395	2.601	2	110.7395	6.768	2	110.5450	3.497	3	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:N-2:	C(CHHN)(NN)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(NN)	C(CHHN)(NN)(H)2	C(CHHN)(NH3)(H)2	N(CCHH)(NN)	110.1560	0.000	1	110.1560	0.000	1	110.5450	3.497	3	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C[5,6]-4:C-4:H-1:H-1:	C-4:N-2:	C(CC[5,6]HH)(NN)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	N(CCHH)(NN)	C(CC[5,6]HH)(NN)(H)2	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	N(CCHH)(NN)	107.1910	0.000	1	107.1910	0.000	1	107.1910	0.000	1	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:N-2:	C(CC[5]HH)(NN)(H)2	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	N(CCHH)(NN)	C(CC[5]HH)(NN)(H)2	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	N(CCHH)(NN)	112.8330	0.000	1	112.8330	0.000	1	112.8330	0.000	1	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:2:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:N-2:	C(CHHN)(NN)(H)2	C(NReCC)(CHHN)(H)2	N(CCHH)(NN)	C(CHHN)(NN)(H)2	C(NReCC)(CHHN)(H)2	N(CCHH)(NN)	108.8710	0.000	1	108.8710	0.000	1	108.8710	0.000	1	109.6320	2.862	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCC)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCC)	111.9040	0.000	1	111.9040	0.000	1	112.7508	5.268	13	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCN)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCN)	118.5370	0.000	1	118.5370	0.000	1	112.7508	5.268	13	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCO)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CCO)	112.4470	1.437	2	112.4470	2.065	2	112.7508	5.268	13	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNN)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNN)	109.5650	0.000	1	109.5650	0.000	1	112.7508	5.268	13	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNO)	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)(CNO)	111.9760	0.469	3	111.9760	0.220	3	112.7508	5.268	13	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(COO)	C(CCHH)(NC)(H)2	C(CHHN)(CH3)(H)2	N(CCHH)(COO)	112.0090	1.038	2	112.0090	1.078	2	112.7508	5.268	13	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CHHN)(CHHP)(H)2	N(CCHH)(CFeN)	C(CCHH)(NC)(H)2	C(CHHN)(CHHP)(H)2	N(CCHH)(CFeN)	115.5770	0.000	1	115.5770	0.000	1	112.7508	5.268	13	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CCHH)(CCC)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CCHH)(CCC)	111.2200	0.000	1	111.2200	0.000	1	112.7508	5.268	13	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CCHH)(CNN)	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CCHH)(CNN)	114.1170	0.000	1	114.1170	0.000	1	112.7508	5.268	13	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CCC)	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CCC)	110.5302	0.237	4	110.5302	0.056	4	110.7772	0.347	5	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)(CCO)	111.7650	0.000	1	111.7650	0.000	1	110.7772	0.347	5	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(NCuCH)(CHHN)(H)2	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(NCuCH)(CHHN)(H)2	N(CCHH)(CCO)	112.1540	0.000	1	112.1540	0.000	1	112.3705	0.094	2	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:3:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-3:	C(CHHN)(NC)(H)2	C(NZnCH)(CHHN)(H)2	N(CCHH)(CCO)	C(CHHN)(NC)(H)2	C(NZnCH)(CHHN)(H)2	N(CCHH)(CCO)	112.5870	0.000	1	112.5870	0.000	1	112.3705	0.094	2	112.2194	4.148	20	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2	C(CCHH)(NC)(H)2	C(CCHH)(CHHN)(H)2	N(CCHH)2	108.7568	7.512	5	108.7568	56.435	5	109.9990	35.195	8	110.6273	18.106	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CCHH)2	C(CCHH)(NC)(H)2	C(CHHN)2(H)2	N(CCHH)2	112.0693	0.163	3	112.0693	0.026	3	109.9990	35.195	8	110.6273	18.106	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(NP)(H)2	C(CHHN)(CH3)(H)2	N(PC[6a]2Fe)(CCHH)	C(CCHH)(NP)(H)2	C(CHHN)(CH3)(H)2	N(PC[6a]2Fe)(CCHH)	112.0610	0.000	1	112.0610	0.000	1	112.0610	0.000	1	110.6273	18.106	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	C-4:C-4:	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2	C(CHHN)(NC)(H)2	C(CHHN)(NCHH)(H)2	N(CCHH)2	109.4154	0.989	5	109.4154	0.978	5	109.4154	0.978	5	110.6273	18.106	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:N-4:H-1:H-1:	P-4:C-4:	C(CHHN)(NP)(H)2	C(CHHN)(NH3)(H)2	N(PC[6a]SS)(CCHH)	C(CHHN)(NP)(H)2	C(CHHN)(NH3)(H)2	N(PC[6a]SS)(CCHH)	112.0900	0.000	1	112.0900	0.000	1	112.0900	0.000	1	110.6273	18.106	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:S-4:	C(CC[5]HH)(NS)(H)2	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	N(CCHH)(SCOO)	C(CC[5]HH)(NS)(H)2	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	N(CCHH)(SCOO)	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.6273	18.106	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:	C(CHHN)(NP)(H)2	C(NOsCH)(CHHN)(H)2	N(PC[3x6]2Os)(CCHH)	C(CHHN)(NP)(H)2	C(NOsCH)(CHHN)(H)2	N(PC[3x6]2Os)(CCHH)	112.4150	0.000	1	112.4150	0.000	1	114.6685	10.157	2	110.6273	18.106	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:1:1:	4:4:	C-4:N-2:H-1:H-1:	N-4:C-4:H-1:H-1:	P-4:C-4:	C(CHHN)(NP)(H)2	C(NOsCH)(CHHN)(H)2	N(POsCC)(CCHH)	C(CHHN)(NP)(H)2	C(NOsCH)(CHHN)(H)2	N(POsCC)(CCHH)	116.9220	0.000	1	116.9220	0.000	1	114.6685	10.157	2	110.6273	18.106	18	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:2:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-3:C-4:	C(CCHN)(NC)(H)2	C(CHHN)(CH3)(NC)(H)	N(CC[6a]2)(CCHH)	C(CCHN)(NC)(H)2	C(CHHN)(CH3)(NC)(H)	N(CC[6a]2)(CCHH)	109.5530	0.000	1	109.5530	0.000	1	111.3257	1.509	4	111.0956	0.881	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:2:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-3:C-4:	C(CCHN)(NC)(H)2	C(CHHN)(CH3)(NC)(H)	N(CC[6a]H)(CCHH)	C(CCHN)(NC)(H)2	C(CHHN)(CH3)(NC)(H)	N(CC[6a]H)(CCHH)	111.9167	0.410	3	111.9167	0.168	3	111.3257	1.509	4	111.0956	0.881	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:2:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(NC)(H)2	C(CClHH)(CHHN)(OH)(H)	N(CC[6a]H)(CCHH)	C(CCHO)(NC)(H)2	C(CClHH)(CHHN)(OH)(H)	N(CC[6a]H)(CCHH)	112.4520	0.000	1	112.4520	0.000	1	111.0343	0.790	15	111.0956	0.881	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:2:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(NC)(H)2	C(CHHN)2(OH)(H)	N(CC[5a]H)(CCHH)	C(CCHO)(NC)(H)2	C(CHHN)2(OH)(H)	N(CC[5a]H)(CCHH)	111.6400	0.621	2	111.6400	0.385	2	111.0343	0.790	15	111.0956	0.881	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:2:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(NC)(H)2	C(CHHN)2(OH)(H)	N(CC[6a]H)(CCHH)	C(CCHO)(NC)(H)2	C(CHHN)2(OH)(H)	N(CC[6a]H)(CCHH)	111.0410	0.688	10	111.0410	0.473	10	111.0343	0.790	15	111.0956	0.881	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:2:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-3:C-4:	C(CCHO)(NC)(H)2	C(CN[5]HH)(CHHN)(OH)(H)	N(CC[6a]H)(CCHH)	C(CCHO)(NC)(H)2	C(CN[5]HH)(CHHN)(OH)(H)	N(CC[6a]H)(CCHH)	109.6860	0.216	2	109.6860	0.047	2	111.0343	0.790	15	111.0956	0.881	19	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:2:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:N-2:H-1:	C-4:C-3:	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NC)(H)	N(CCHH)(CNO)	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NC)(H)	N(CCHH)(CNO)	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	112.5037	0.071	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:2:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCHO)(NC)(H)2	C(CHHN)(CH3)(OP)(H)	N(CCHH)(CCO)	C(CCHO)(NC)(H)2	C(CHHN)(CH3)(OP)(H)	N(CCHH)(CCO)	112.3710	0.026	3	112.3710	0.001	3	112.3710	0.001	3	112.5037	0.071	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:3:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(CCHN)(NC)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CCHH)(CS)	C(CCHN)(NC)(H)2	C(CCCH)(CHHN)(NCH)(H)	N(CCHH)(CS)	111.2805	0.209	2	111.2805	0.044	2	111.5901	0.219	7	111.0736	0.985	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:3:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(CCHN)(NC)(H)2	C(CCHH)(CHHN)(NCH)(H)	N(CCHH)(CS)	C(CCHN)(NC)(H)2	C(CCHH)(CHHN)(NCH)(H)	N(CCHH)(CS)	111.9887	0.332	3	111.9887	0.110	3	111.5901	0.219	7	111.0736	0.985	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:3:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	N(CCHH)(CS)	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	N(CCHH)(CS)	111.6300	0.000	1	111.6300	0.000	1	111.5901	0.219	7	111.0736	0.985	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:3:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-2:	C(CCHN)(NC)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(CS)	C(CCHN)(NC)(H)2	C(CHHN)(CH3)(NCH)(H)	N(CCHH)(CS)	110.9740	0.000	1	110.9740	0.000	1	111.5901	0.219	7	111.0736	0.985	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:3:1:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:N-2:	C(CCHN)(NN)(H)2	C(CCHH)(CHHN)(NCH)(H)	N(CCHH)(NN)	C(CCHN)(NN)(H)2	C(CCHH)(CHHN)(NCH)(H)	N(CCHH)(NN)	110.1697	1.065	4	110.1697	1.135	4	110.1697	1.135	4	111.0736	0.985	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:3:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(NC)(H)2	C(CCHH)(CHHN)(NCH)(H)	N(CCHH)(CNO)	C(CCHN)(NC)(H)2	C(CCHH)(CHHN)(NCH)(H)	N(CCHH)(CNO)	112.5495	1.208	2	112.5495	1.460	2	112.5240	0.732	3	112.5240	0.732	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:3:1:	4:3:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	C-4:C-3:	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	N(CCHH)(CNO)	C(CCHN)(NC)(H)2	C(CC[6a]HH)(CHHN)(NCH)(H)	N(CCHH)(CNO)	112.4730	0.000	1	112.4730	0.000	1	112.5240	0.732	3	112.5240	0.732	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:3:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:C-4:N-3:H-1:	P-4:C-4:	C(CCHN)(NP)(H)2	C(CHHN)(CC3)(NCH)(H)	N(PC[6a]3)(CCHH)	C(CCHN)(NP)(H)2	C(CHHN)(CC3)(NCH)(H)	N(PC[6a]3)(CCHH)	112.7350	0.325	2	112.7350	0.106	2	112.7350	0.106	2	112.7350	0.106	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(NC)(H)2	C(CHHN)(CH3)2(H)	N(CC[6a]C)(CCHH)	C(CCCH)(NC)(H)2	C(CHHN)(CH3)2(H)	N(CC[6a]C)(CCHH)	109.7920	0.000	1	109.7920	0.000	1	111.1268	1.363	4	111.1268	1.363	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:1:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(NC)(H)2	C(CHHN)(CH3)2(H)	N(CC[6a]H)(CCHH)	C(CCCH)(NC)(H)2	C(CHHN)(CH3)2(H)	N(CC[6a]H)(CCHH)	111.5717	0.926	3	111.5717	0.857	3	111.1268	1.363	4	111.1268	1.363	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:H-1:	C-4:S-4:	C(CCCH)(NS)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)(SNOO)	C(CCCH)(NS)(H)2	C(CHHN)(CH3)2(H)	N(CCHH)(SNOO)	112.5960	0.000	1	112.5960	0.000	1	112.5960	0.000	1	112.6300	0.985	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:1:	4:4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:	C(CCCH)(NS)(H)2	C(CC[6a]HH)(CHHN)(CH3)(H)	N(SC[6a]OO)(CCHH)	C(CCCH)(NS)(H)2	C(CC[6a]HH)(CHHN)(CH3)(H)	N(SC[6a]OO)(CCHH)	112.6470	1.403	2	112.6470	1.968	2	112.6470	1.968	2	112.6300	0.985	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:3:	4:1:	C-4:N-2:H-1:O-1:	C-4:C-4:C-4:N-3:	C-4:H-1:	C(CCCN)(NH)(H)(O)	C(CHNO)(CH3)2(NCH)	N(CCHO)(H)	C(CCCN)(NH)(H)(O)	C(CHNO)(CH3)2(NCH)	N(CCHO)(H)	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	113.5840	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:3:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:N-3:	C-4:N-2:	C(CCCN)(NN)(H)2	C(CHHN)3(NCH)	N(CCHH)(NN)	C(CCCN)(NN)(H)2	C(CHHN)3(NCH)	N(CCHH)(NN)	109.2403	1.274	3	109.2403	1.623	3	109.2403	1.623	3	109.2403	1.623	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:4:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(NC)(H)2	C(CHHN)(CH3)3	N(CC[6a]H)(CCHH)	C(CC3)(NC)(H)2	C(CHHN)(CH3)3	N(CC[6a]H)(CCHH)	112.1320	0.000	1	112.1320	0.000	1	112.1589	0.902	52	112.1589	0.902	52	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:4:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	N(CC[6a]2)(CCHH)	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	N(CC[6a]2)(CCHH)	111.9305	0.777	2	111.9305	0.604	2	112.1589	0.902	52	112.1589	0.902	52	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:4:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	N(CC[6a]C)(CCHH)	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	N(CC[6a]C)(CCHH)	111.3290	0.849	4	111.3290	0.721	4	112.1589	0.902	52	112.1589	0.902	52	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:4:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	N(CC[6a]H)(CCHH)	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	N(CC[6a]H)(CCHH)	112.2386	0.992	38	112.2386	0.983	38	112.1589	0.902	52	112.1589	0.902	52	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:4:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(NC)(H)2	C(CHHN)3(CH3)	N(CC[6a]H)(CCHH)	C(CC3)(NC)(H)2	C(CHHN)3(CH3)	N(CC[6a]H)(CCHH)	112.3197	0.783	3	112.3197	0.613	3	112.1589	0.902	52	112.1589	0.902	52	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:4:	3:4:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(NC)(H)2	C(CHHN)4	N(CC[6a]H)(CCHH)	C(CC3)(NC)(H)2	C(CHHN)4	N(CC[6a]H)(CCHH)	112.2330	0.900	4	112.2330	0.810	4	112.1589	0.902	52	112.1589	0.902	52	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:4:	4:1:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-1:	C(CC3)(NC)(H)2	C(CHHN)4	N(CCHH)(C)	C(CC3)(NC)(H)2	C(CHHN)4	N(CCHH)(C)	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:4:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(CC3)(NC)(H)2	C(CHHN)(CH3)3	N(CCHH)(CRh)	C(CC3)(NC)(H)2	C(CHHN)(CH3)3	N(CCHH)(CRh)	112.5396	1.689	9	112.5396	2.851	9	112.4922	2.004	13	110.7952	6.336	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:4:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	N(CCHH)(CRh)	C(CC3)(NC)(H)2	C(CHHN)2(CH3)2	N(CCHH)(CRh)	112.3855	0.625	4	112.3855	0.391	4	112.4922	2.004	13	110.7952	6.336	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:1:1:	4:4:4:4:	4:2:	C-4:N-2:H-1:H-1:	C-4:C-4:C-4:N-4:	C-4:N-2:	C(CCCN)(NN)(H)2	C(CHHN)3(NH3)	N(CCHH)(NN)	C(CCCN)(NN)(H)2	C(CHHN)3(NH3)	N(CCHH)(NN)	108.9569	2.133	12	108.9569	4.549	12	108.9569	4.549	12	110.7952	6.336	25	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:2:1:	3:4:3:1:	4:2:	C-4:C-2:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-2:	C(CC[6a]HN)(CC[6a])(NN)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CCCH)(NN)	C(CC[6a]HN)(CC[6a])(NN)(H)	C(C[6a]C[6a]2)(CCHN)(NCH)(H)	N(CCCH)(NN)	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:2:1:	4:1:1:1:	4:3:	C-4:N-2:O-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:C-3:	C(CCl3)(NC)(OH)(H)	C(CHNO)(Cl)3	N(CCHO)(CHO)	C(CCl3)(NC)(OH)(H)	C(CHNO)(Cl)3	N(CCHO)(CHO)	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:2:1:	4:4:4:1:	4:3:	C-4:C-2:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:S-3:	C(CCCH)(CC)(NS)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(SCO)	C(CCCH)(CC)(NS)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(SCO)	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	110.7650	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:2:1:	4:4:4:4:	3:4:	C-4:C-2:N-2:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(CN)(NC)(H)	C(CCHN)(CH3)3	N(CC[6a]H)(CCCH)	C(CC3)(CN)(NC)(H)	C(CCHN)(CH3)3	N(CC[6a]H)(CCCH)	112.3135	0.387	2	112.3135	0.150	2	112.3135	0.150	2	112.3135	0.150	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:2:1:	4:4:4:4:	4:3:	C-4:C-2:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:S-3:	C(CC3)(CC)(NS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)	C(CC3)(CC)(NS)(H)	C(CCHN)(CH3)3	N(CCCH)(SCO)	114.8650	0.000	1	114.8650	0.000	1	114.8650	0.000	1	114.8650	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:3:1:	3:4:1:1:	3:4:	C-4:N-2:C-3:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C-4:	C(CC[6a]HH)(NC[5])(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[5]C[5]O[5])(CCCH)	C(CC[6a]HH)(NC[5])(CNO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[5]C[5]O[5])(CCCH)	109.3100	0.000	1	109.3100	0.000	1	109.3100	0.000	1	109.3100	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:3:1:	3:4:1:1:	4:4:	C-4:N-2:C-3:H-1:	C[5]-3:C-4:H-1:H-1:	P[5]-4:C-4:	C(CC[5]HH)(NP[5])(COO)(H)	C(C[5]C[5,6a]C[5])(CCHN)(H)2	N(P[5]O[5]S[5]S)(CCCH)	C(CC[5]HH)(NP[5])(COO)(H)	C(C[5]C[5,6a]C[5])(CCHN)(H)2	N(P[5]O[5]S[5]S)(CCCH)	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	110.9820	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:4:1:	3:4:1:1:	3:4:	C-4:N-2:C-4:H-1:	C[6]-3:C-4:H-1:H-1:	C[6a]-3:C-4:	C(CC[6]HH)(NC[6a])(CH3)(H)	C(C[6]C[6]2)(CCHN)(H)2	N(C[6a]C[5a,6a]N[6a])(CCCH)	C(CC[6]HH)(NC[6a])(CH3)(H)	C(C[6]C[6]2)(CCHN)(H)2	N(C[6a]C[5a,6a]N[6a])(CCCH)	111.4030	0.000	1	111.4030	0.000	1	111.4030	0.000	1	109.9920	3.982	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:4:1:	3:4:1:1:	3:4:	C-4:N-2:C-4:H-1:	C[6a]-3:C-4:H-1:H-1:	C[5]-3:C-4:	C(CC[6a]HH)(NC[5])(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[5]N[5]2)(CCCH)	C(CC[6a]HH)(NC[5])(CHHO)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(C[5]N[5]2)(CCCH)	108.5810	0.000	1	108.5810	0.000	1	108.5810	0.000	1	109.9920	3.982	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:4:1:	3:4:3:1:	3:4:	C-4:N-2:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C[5]-3:C-4:	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(CCC)(H)	N(C[5]C[5,6a]C[5])(CCCH)	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a,6a]C[6a])(CCHN)(CCC)(H)	N(C[5]C[5,6a]C[5])(CCCH)	112.3780	0.000	1	112.3780	0.000	1	110.5625	6.592	2	110.5625	6.592	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:4:1:	3:4:3:1:	3:4:	C-4:N-2:C-4:H-1:	C[6a]-3:C-4:C-3:H-1:	C[5]-3:C-4:	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	N(C[5]C[5,6a]C[5])(CCCH)	C(CC[6a]CH)(NC[5])(CF3)(H)	C(C[6a]C[6a]2)(CCHN)(CCC)(H)	N(C[5]C[5,6a]C[5])(CCCH)	108.7470	0.000	1	108.7470	0.000	1	110.5625	6.592	2	110.5625	6.592	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:4:1:	4:1:1:1:	3:4:	C-4:N-2:C-4:H-1:	C-4:F-1:F-1:F-1:	C[5]-3:C-4:	C(CC[6a]CH)(NC[5])(CF3)(H)	C(CCHN)(F)3	N(C[5]C[5,6a]C[5])(CCCH)	C(CC[6a]CH)(NC[5])(CF3)(H)	C(CCHN)(F)3	N(C[5]C[5,6a]C[5])(CCCH)	106.3865	1.131	2	106.3865	1.278	2	106.3865	1.278	2	107.8552	2.171	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:4:1:	4:1:1:1:	3:4:	C-4:N-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:	C(CC[6]HH)(NC[6a])(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[5a,6a]N[6a])(CCCH)	C(CC[6]HH)(NC[6a])(CH3)(H)	C(CCHN)(H)3	N(C[6a]C[5a,6a]N[6a])(CCCH)	108.7990	0.000	1	108.7990	0.000	1	108.7990	0.000	1	107.8552	2.171	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:4:1:	4:1:1:1:	3:4:	C[6]-4:N-2:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:	C(C[6]C[6]2H)(NC[6])(CH3)(H)	C(CC[6]HN)(H)3	N(C[6]N[6]2)(CC[6]CH)	C(C[6]C[6]2H)(NC[6])(CH3)(H)	C(CC[6]HN)(H)3	N(C[6]N[6]2)(CC[6]CH)	108.8520	0.461	2	108.8520	0.213	2	108.8520	0.213	2	107.8552	2.171	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:2:4:1:	4:2:1:1:	3:4:	C-4:N-2:C-4:H-1:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:	C(CC[6a]HH)(NC[5])(CHHO)(H)	C(CCHN)(OH)(H)2	N(C[5]N[5]2)(CCCH)	C(CC[6a]HH)(NC[5])(CHHO)(H)	C(CCHN)(OH)(H)2	N(C[5]N[5]2)(CCCH)	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:3:4:1:	3:4:	C-4:C-3:N-2:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	C-3:C-4:	C(CC[5a]C[6a]H)(COO)(NC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	N(CC[6a]2)(CCCH)	C(CC[5a]C[6a]H)(COO)(NC)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHN)(H)	N(CC[6a]2)(CCCH)	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	109.3290	3.241	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:3:4:1:	3:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	C-3:C-4:	C(CC[6a]2H)(COO)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CC[6a]2)(CCCH)	C(CC[6a]2H)(COO)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(CC[6a]2)(CCCH)	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	109.3290	3.241	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:3:4:1:	4:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:H-1:	S-4:C-4:	C(CC[6a]2H)(COO)(NS)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(SC[6a]OO)(CCCH)	C(CC[6a]2H)(COO)(NS)(H)	C(C[6a]C[6a]2)2(CCHN)(H)	N(SC[6a]OO)(CCCH)	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	110.1280	2.856	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:3:4:1:	4:4:	C-4:C[6a]-3:N-2:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	C-4:P-4:	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N(CC[6a]CH)(PN3)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NP)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N(CC[6a]CH)(PN3)	111.3230	0.000	1	111.3230	0.000	1	111.3230	0.000	1	110.1280	2.856	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	3:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]O)(CCCH)	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]O)(CCCH)	110.9180	0.000	1	110.9180	0.000	1	110.2905	2.021	4	110.2905	2.021	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	3:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]2)(CCCH)	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]2)(CCCH)	111.2890	0.000	1	111.2890	0.000	1	110.2905	2.021	4	110.2905	2.021	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	3:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]H)(CCCH)	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[5]H)(CCCH)	110.7720	0.000	1	110.7720	0.000	1	110.2905	2.021	4	110.2905	2.021	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	3:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]2)(CCCH)	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]2)(CCCH)	108.1830	0.000	1	108.1830	0.000	1	110.2905	2.021	4	110.2905	2.021	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:2:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:	C(CC[6a]HH)(COO)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(NN)	C(CC[6a]HH)(COO)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(NN)	110.3015	3.679	2	110.3015	13.536	2	110.3015	13.536	2	110.3015	13.536	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:3:	C-4:C-3:N-2:H-1:	C[5]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HH)(COO)(NC)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(COO)	C(CC[5]HH)(COO)(NC)(H)	C(C[5]C[5]N[5])(CCHN)(H)2	N(CCCH)(COO)	107.3530	0.000	1	107.3530	0.000	1	107.3530	0.000	1	110.4894	3.185	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:3:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)	111.5463	0.713	3	111.5463	0.509	3	110.8815	2.059	8	110.4894	3.185	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:3:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)	107.9630	0.000	1	107.9630	0.000	1	110.8815	2.059	8	110.4894	3.185	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:3:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CN[5]O)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)	C(CC[6a]HH)(CN[5]O)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)	111.3800	0.000	1	111.3800	0.000	1	110.8815	2.059	8	110.4894	3.185	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:3:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CCO)	109.5700	0.000	1	109.5700	0.000	1	110.8815	2.059	8	110.4894	3.185	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:3:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)	C(CC[6a]HH)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(COO)	111.7500	0.270	2	111.7500	0.073	2	110.8815	2.059	8	110.4894	3.185	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:Cl-1:H-1:	S-4:C-4:	C(CC[6a]ClH)(CN[5]O)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	N(SC[6a]OO)(CCCH)	C(CC[6a]ClH)(CN[5]O)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	N(SC[6a]OO)(CCCH)	108.1920	0.000	1	108.1920	0.000	1	108.1920	0.000	1	110.2970	10.359	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-4:	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]CH)(CCCH)	C(CC[6a]HH)(CNO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]CH)(CCCH)	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	110.2970	10.359	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:1:1:	4:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	S-4:C-4:	C(CC[6a]HH)(COO)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)	C(CC[6a]HH)(COO)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(SC[6a]OO)(CCCH)	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	110.2970	10.359	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:2:1:	3:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-3:C-4:	C(CC[6a]HN)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	N(CC[6a]2)(CCCH)	C(CC[6a]HN)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NS)(H)	N(CC[6a]2)(CCCH)	106.8350	0.000	1	106.8350	0.000	1	106.8350	0.000	1	106.8350	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:3:1:	3:4:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-3:C-4:	C(CC[6a]HN)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	N(CC[6a]2)(CCCH)	C(CC[6a]HN)(COO)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NHS)(H)	N(CC[6a]2)(CCCH)	109.2360	2.005	5	109.2360	4.022	5	109.2360	4.022	5	109.2360	4.022	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	3:4:4:1:	3:4:	C-4:C-3:N-2:H-1:	C[5a]-3:C-4:C-4:H-1:	C-3:C-4:	C(CC[5a]CH)(COO)(NC)(H)	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	N(CC[6a]2)(CCCH)	C(CC[5a]CH)(COO)(NC)(H)	C(C[5a]C[5a]S[5a])(CCCH)(CCHN)(H)	N(CC[6a]2)(CCCH)	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	108.3330	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(CNO)(NC)(H)	C(CCHN)(H)3	N(CC[6a]2)(CCCH)	C(CH3)(CNO)(NC)(H)	C(CCHN)(H)3	N(CC[6a]2)(CCCH)	109.5775	0.684	2	109.5775	0.468	2	109.7242	0.513	6	109.7242	0.513	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(COO)(NC)(H)	C(CCHN)(H)3	N(CC[5]H)(CCCH)	C(CH3)(COO)(NC)(H)	C(CCHN)(H)3	N(CC[5]H)(CCCH)	109.1900	0.000	1	109.1900	0.000	1	109.7242	0.513	6	109.7242	0.513	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(COO)(NC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)	C(CH3)(COO)(NC)(H)	C(CCHN)(H)3	N(CC[6a]O)(CCCH)	110.0000	0.878	3	110.0000	0.771	3	109.7242	0.513	6	109.7242	0.513	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:1:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-1:	C(CH3)(CNO)(NC)(H)	C(CCHN)(H)3	N(CCCH)(C)	C(CH3)(CNO)(NC)(H)	C(CCHN)(H)3	N(CCCH)(C)	110.4995	0.738	2	110.4995	0.544	2	110.4995	0.544	2	110.4995	0.544	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:2:	C-4:C-3:N-2:H-1:	C-4:F-1:F-1:F-1:	C-4:N-2:	C(CF3)(CCH)(NN)(H)	C(CCHN)(F)3	N(CCCH)(NN)	C(CF3)(CCH)(NN)(H)	C(CCHN)(F)3	N(CCCH)(NN)	104.4600	0.000	1	104.4600	0.000	1	104.4600	0.000	1	109.6867	24.186	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:2:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CCN)(NN)(H)	C(CCHN)(H)3	N(CCCH)(NN)	C(CH3)(CCN)(NN)(H)	C(CCHN)(H)3	N(CCCH)(NN)	110.3770	0.000	1	110.3770	0.000	1	112.3000	7.396	2	109.6867	24.186	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:2:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)(CNO)(NN)(H)	C(CCHN)(H)3	N(CCCH)(NN)	C(CH3)(CNO)(NN)(H)	C(CCHN)(H)3	N(CCCH)(NN)	114.2230	0.000	1	114.2230	0.000	1	112.3000	7.396	2	109.6867	24.186	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:Br-1:H-1:H-1:	C-4:C-3:	C(CBrHH)(COO)(NC)(H)	C(CCHN)(Br)(H)2	N(CCCH)(COO)	C(CBrHH)(COO)(NC)(H)	C(CCHN)(Br)(H)2	N(CCCH)(COO)	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	110.1614	1.842	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(CHH)(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNS)	C(CH3)(CHH)(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNS)	109.1280	0.000	1	109.1280	0.000	1	109.6862	0.313	6	110.1614	1.842	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(CNO)(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCO)	C(CH3)(CNO)(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCO)	109.7120	0.000	1	109.7120	0.000	1	109.6862	0.313	6	110.1614	1.842	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(CNO)(NC)(H)	C(CCHN)(H)3	N(CCCH)(COO)	C(CH3)(CNO)(NC)(H)	C(CCHN)(H)3	N(CCCH)(COO)	110.0300	0.000	1	110.0300	0.000	1	109.6862	0.313	6	110.1614	1.842	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(COO)(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCO)	C(CH3)(COO)(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCO)	110.1510	0.389	2	110.1510	0.151	2	109.6862	0.313	6	110.1614	1.842	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)(COO)(NC)(H)	C(CCHN)(H)3	N(CCCH)(COO)	C(CH3)(COO)(NC)(H)	C(CCHN)(H)3	N(CCCH)(COO)	108.9450	0.000	1	108.9450	0.000	1	109.6862	0.313	6	110.1614	1.842	7	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)(COO)(NP)(H)	C(CCHN)(H)3	N(CCCH)(PO3)	C(CH3)(COO)(NP)(H)	C(CCHN)(H)3	N(CCCH)(PO3)	109.5317	0.831	3	109.5317	0.690	3	109.5317	0.690	3	109.4117	0.517	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:1:1:1:	4:4:	C-4:C-3:N-2:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(CH3)(CNO)(NS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)	C(CH3)(CNO)(NS)(H)	C(CCHN)(H)3	N(SC[6a]OO)(CCCH)	109.0520	0.000	1	109.0520	0.000	1	109.0520	0.000	1	109.4117	0.517	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:2:1:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(CNO)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]2)(CCCH)	C(CHHO)(CNO)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]2)(CCCH)	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	109.6927	4.563	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:2:1:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:S-2:H-1:H-1:	C-3:C-4:	C(CHHS)(COO)(NC)(H)	C(CCHN)(SS)(H)2	N(CC[6a]O)(CCCH)	C(CHHS)(COO)(NC)(H)	C(CCHN)(SS)(H)2	N(CC[6a]O)(CCCH)	109.2050	2.775	2	109.2050	7.699	2	109.2050	7.699	2	109.6927	4.563	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:2:1:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-3:	C(CHHO)(CNO)(NC)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)	C(CHHO)(CNO)(NC)(H)	C(CCHN)(OH)(H)2	N(CCCH)(CCO)	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	109.9600	0.045	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:2:1:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:S-2:H-1:H-1:	C-4:C-3:	C(CHHS)(CNO)(NC)(H)	C(CCHN)(SS)(H)2	N(CCCH)(CCO)	C(CHHS)(CNO)(NC)(H)	C(CCHN)(SS)(H)2	N(CCCH)(CCO)	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.9600	0.045	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:2:1:1:	4:4:	C-4:C-3:N-2:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:	C(CHHO)(COO)(NS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)	C(CHHO)(COO)(NS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:3:1:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:H-1:	C-3:C-4:	C(CCHH)(COO)(NC)(H)	C(CCHN)(CCC)(H)2	N(CC[6a]H)(CCCH)	C(CCHH)(COO)(NC)(H)	C(CCHN)(CCC)(H)2	N(CC[6a]H)(CCCH)	110.0167	1.064	3	110.0167	1.133	3	110.0167	1.133	3	110.0167	1.133	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:3:1:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:	C(CCHH)(CNO)(NC)(H)	C(CCHN)(COO)(H)2	N(CCCH)(COO)	C(CCHH)(CNO)(NC)(H)	C(CCHN)(COO)(H)2	N(CCCH)(COO)	112.7880	0.000	1	112.7880	0.000	1	112.7880	0.000	1	112.7880	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:3:1:1:	4:4:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:H-1:	S-4:C-4:	C(CCHH)(COO)(NS)(H)	C(CCHN)(CNO)(H)2	N(SC[6a]OO)(CCCH)	C(CCHH)(COO)(NS)(H)	C(CCHN)(CNO)(H)2	N(SC[6a]OO)(CCCH)	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:1:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CNO)(NC)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]O)(CCCH)	C(CCHH)(CNO)(NC)(H)	C(CCCH)(CCHN)(H)2	N(CC[6a]O)(CCCH)	110.3190	0.000	1	110.3190	0.000	1	109.6860	0.650	5	109.6860	0.650	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:1:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CNO)(NC)(H)	C(CCHN)(CHHS)(H)2	N(CC[6a]C)(CCCH)	C(CCHH)(CNO)(NC)(H)	C(CCHN)(CHHS)(H)2	N(CC[6a]C)(CCCH)	110.6960	0.000	1	110.6960	0.000	1	109.6860	0.650	5	109.6860	0.650	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:1:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(COO)(NC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6]H)(CCCH)	C(CCHH)(COO)(NC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6]H)(CCCH)	109.3180	0.290	2	109.3180	0.084	2	109.6860	0.650	5	109.6860	0.650	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:1:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(COO)(NC)(H)	C(CCHN)(CHHS)(H)2	N(CC[6a]2)(CCCH)	C(CCHH)(COO)(NC)(H)	C(CCHN)(CHHS)(H)2	N(CC[6a]2)(CCCH)	108.7790	0.000	1	108.7790	0.000	1	109.6860	0.650	5	109.6860	0.650	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:1:1:	4:2:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(CCH)(NN)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(NN)	C(CCHH)(CCH)(NN)(H)	C(CC[6a]HH)(CCHN)(H)2	N(CCCH)(NN)	113.0990	0.000	1	113.0990	0.000	1	112.3940	0.994	2	112.3940	0.994	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:1:1:	4:2:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(CNO)(NN)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(NN)	C(CCHH)(CNO)(NN)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(NN)	111.6890	0.000	1	111.6890	0.000	1	112.3940	0.994	2	112.3940	0.994	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:	C(CCHH)(CHH)(NC)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)	C(CCHH)(CHH)(NC)(H)	C(CCCN)(CCHN)(H)2	N(CCCH)(CCHH)	110.3570	0.000	1	110.3570	0.000	1	110.3570	0.000	1	109.1525	2.902	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:1:1:	4:4:	C-4:C-3:N-2:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CCHH)(COO)(NP)(H)	C(CCCH)(CCHN)(H)2	N(PRhOO)(CCCH)	C(CCHH)(COO)(NP)(H)	C(CCCH)(CCHN)(H)2	N(PRhOO)(CCCH)	107.9480	0.000	1	107.9480	0.000	1	107.9480	0.000	1	109.1525	2.902	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:2:1:	4:2:	C-4:C-3:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:N-2:	C(CCHO)(CCH)(NN)(H)	C(CCHN)(CHHN)(OS)(H)	N(CCCH)(NN)	C(CCHO)(CCH)(NN)(H)	C(CCHN)(CHHN)(OS)(H)	N(CCCH)(NN)	110.9190	0.000	1	110.9190	0.000	1	110.9190	0.000	1	111.8487	0.667	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:2:1:	4:2:	C-4:C-3:N-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:N-2:	C(CC[5]HO)(CNO)(NN)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	N(CCCH)(NN)	C(CC[5]HO)(CNO)(NN)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	N(CCCH)(NN)	112.3135	0.193	2	112.3135	0.037	2	112.3135	0.037	2	111.8487	0.667	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:3:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)(CCH)(NC)(H)	C(CCHN)(CH3)(CCO)(H)	N(CCCH)(CCO)	C(CCCH)(CCH)(NC)(H)	C(CCHN)(CH3)(CCO)(H)	N(CCCH)(CCO)	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CNO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)	C(CCCH)(CNO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[5]O)(CCCH)	112.7750	0.000	1	112.7750	0.000	1	112.0235	1.130	2	110.3913	8.557	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:1:	3:4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CNO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]C)(CCCH)	C(CCCH)(CNO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]C)(CCCH)	111.2720	0.000	1	111.2720	0.000	1	112.0235	1.130	2	110.3913	8.557	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:1:	3:4:	C-4:C-3:N-2:H-1:	C[5]-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[5]CH)(COO)(NC)(H)	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	N(CC[6a]2)(CCCH)	C(CC[5]CH)(COO)(NC)(H)	C(C[5]C[5]2Fe)(CCHN)(CHHN)(H)	N(CC[6a]2)(CCCH)	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	110.3913	8.557	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CNO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)	C(CCCH)(CNO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)	111.6240	0.000	1	111.6240	0.000	1	111.0036	0.467	5	111.0036	0.467	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(COO)(NC)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)	C(CCCH)(COO)(NC)(H)	C(CCHH)(CCHN)(CH3)(H)	N(CCCH)(CCO)	111.1870	0.000	1	111.1870	0.000	1	111.0036	0.467	5	111.0036	0.467	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:1:	4:3:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(COO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)	C(CCCH)(COO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(CCO)	110.7357	0.786	3	110.7357	0.618	3	111.0036	0.467	5	111.0036	0.467	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:1:	4:4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:	C(CCCH)(CNO)(NS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)	C(CCCH)(CNO)(NS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]OO)(CCCH)	109.2420	0.488	2	109.2420	0.238	2	109.2420	0.238	2	109.2420	0.238	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:2:	4:3:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:O-2:	C-4:C-3:	C(CCCO)(COO)(NC)(H)	C(CCHN)(CH3)2(OH)	N(CCCH)(CCO)	C(CCCO)(COO)(NC)(H)	C(CCHN)(CH3)2(OH)	N(CCCH)(CCO)	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	112.4890	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:4:	3:4:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(COO)(NC)(H)	C(CCHH)(CCHN)(CF3)(CH3)	N(CC[6a]2)(CCCH)	C(CC3)(COO)(NC)(H)	C(CCHH)(CCHN)(CF3)(CH3)	N(CC[6a]2)(CCCH)	109.6710	0.000	1	109.6710	0.000	1	109.6710	0.000	1	109.6710	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:1:	4:4:4:4:	4:3:	C-4:C-3:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-3:	C(CC3)(CNO)(NC)(H)	C(CCHN)(CH3)3	N(CCCH)(CCO)	C(CC3)(CNO)(NC)(H)	C(CCHN)(CH3)3	N(CCCH)(CCO)	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	111.7460	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:2:2:	4:1:1:1:	3:4:	C-4:C-3:C-2:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)(CNO)(CN)(NC)	C(CCCN)(H)3	N(CC[6a]2)(CC3)	C(CH3)(CNO)(CN)(NC)	C(CCCN)(H)3	N(CC[6a]2)(CC3)	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:3:2:	3:4:1:1:	3:4:	C-4:C-3:C-3:N-2:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(CCH)(CNO)(NC)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)	C(CC[6a]HH)(CCH)(CNO)(NC)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)	108.9540	3.666	2	108.9540	13.437	2	108.9540	13.437	2	108.9540	13.437	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:3:4:2:	4:1:1:1:	4:4:	C[3]-4:C[6a]-3:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	C(CC[6a]C[3]N)(H)3	N(CC[6a]C[3]C)(PC[6a]2O)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	C(CC[6a]C[3]N)(H)3	N(CC[6a]C[3]C)(PC[6a]2O)	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:3:4:1:	4:4:	C-4:C-4:N-2:H-1:	C[5a]-3:C[6a]-3:C-4:H-1:	S-4:C-4:	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N(SC[6a]OO)(CCCH)	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHN)(H)	N(SC[6a]OO)(CCCH)	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	109.7410	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:3:4:2:	3:4:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-3:C-4:	C(CC[6a]2O)(CCCH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	N(CC[6a]H)(CCCH)	C(CC[6a]2O)(CCCH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	N(CC[6a]H)(CCCH)	108.1340	0.000	1	108.1340	0.000	1	107.3127	0.739	4	107.3127	0.739	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:3:4:2:	3:4:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-3:C-4:	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	N(CC[6a]H)(CCCH)	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)2(CCHN)(OH)	N(CC[6a]H)(CCCH)	107.0390	0.812	3	107.0390	0.659	3	107.3127	0.739	4	107.3127	0.739	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:3:4:2:	4:3:	C-4:C-4:N-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:S-3:	C(CC[6a]2O)(CCHH)(NS)(H)	C(C[6a]C[6a]2)2(CCHN)(OC)	N(CCCH)(SCO)	C(CC[6a]2O)(CCHH)(NS)(H)	C(C[6a]C[6a]2)2(CCHN)(OC)	N(CCCH)(SCO)	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	111.1340	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:1:1:	2:4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	N-2:C-4:	C(CC[6a]HH)(CCHH)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(NC[6a])(CCCH)	C(CC[6a]HH)(CCHH)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(NC[6a])(CCCH)	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:1:1:	3:4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]H)(CCCH)	C(CC[6a]2O)(CC[6a]HH)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CC[6a]H)(CCCH)	108.3510	0.524	3	108.3510	0.275	3	108.3510	0.275	3	108.3510	0.275	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:1:1:	4:2:	C-4:C-4:N-2:H-1:	C-3:C-4:H-1:H-1:	C-4:N-2:	C(CCHH)(CF3)(NN)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(NN)	C(CCHH)(CF3)(NN)(H)	C(CC[6a]O)(CCHN)(H)2	N(CCCH)(NN)	110.5270	0.000	1	110.5270	0.000	1	110.5270	0.000	1	111.6400	2.187	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:1:1:	4:2:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:N-2:	C(CC[6a]HH)(CC[6]HO)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(NN)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(NN)	112.1965	1.586	2	112.1965	2.516	2	112.1965	2.516	2	111.6400	2.187	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:1:1:	4:3:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:Cl-1:H-1:	C-4:C-3:	C(CC[6a]ClH)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	N(CCCH)(CCH)	C(CC[6a]ClH)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(Cl)(H)	N(CCCH)(CCH)	109.0430	0.457	2	109.0430	0.209	2	109.0430	0.209	2	109.1747	0.156	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:1:1:	4:3:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CHHN)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNO)	C(CC[6a]HH)(CHHN)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(H)2	N(CCCH)(CNO)	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	109.1747	0.156	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:2:1:	3:4:	C-4:C-4:N-2:H-1:	C-3:C-4:N-2:H-1:	S-3:C-4:	C(CClCC)(CCHN)(NS)(H)	C(CN[6]O)(CCHN)(NC)(H)	N(SC[6a]O)(CCCH)	C(CClCC)(CCHN)(NS)(H)	C(CN[6]O)(CCHN)(NC)(H)	N(SC[6a]O)(CCCH)	108.5810	0.000	1	108.5810	0.000	1	108.5810	0.000	1	109.2238	0.976	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:2:1:	3:4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:N-2:H-1:	C-3:C-4:	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	N(CC[6a]H)(CCCH)	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NC)(H)	N(CC[6a]H)(CCCH)	109.3660	1.840	2	109.3660	3.385	2	109.3660	3.385	2	109.2238	0.976	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:2:1:	3:4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	C-3:C-4:	C(CC[6a]HO)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]H)(CCCH)	C(CC[6a]HO)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(CC[6a]H)(CCCH)	109.4030	0.000	2	109.4030	0.000	2	109.4030	0.000	2	109.2238	0.976	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:2:1:	4:2:	C-4:C-4:N-2:H-1:	C-3:C-4:O-2:H-1:	C-4:N-2:	C(CCHN)(CCHO)(NN)(H)	C(CN[5]O)(CCHN)(OC)(H)	N(CCCH)(NN)	C(CCHN)(CCHO)(NN)(H)	C(CN[5]O)(CCHN)(OC)(H)	N(CCCH)(NN)	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:2:1:	4:4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:O-2:H-1:	S-4:C-4:	C(CC[6a]HO)(CHHO)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(SC[6a]OO)(CCCH)	C(CC[6a]HO)(CHHO)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(OH)(H)	N(SC[6a]OO)(CCCH)	110.9440	0.000	1	110.9440	0.000	1	110.9440	0.000	1	110.9440	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:3:1:	3:4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:C-3:H-1:	S-3:C-4:	C(CC[6a]CH)(CSiHH)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	N(SC[6a]O)(CCCH)	C(CC[6a]CH)(CSiHH)(NS)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(H)	N(SC[6a]O)(CCCH)	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	107.8653	1.530	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:3:1:	3:4:	C-4:C-4:N-2:H-1:	C[6a]-3:C-4:N-3:H-1:	C-3:C-4:	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	N(CC[6a]2)(CCCH)	C(CC[6a]HN)(CH3)(NC)(H)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	N(CC[6a]2)(CCCH)	107.1720	0.420	2	107.1720	0.176	2	107.1720	0.176	2	107.8653	1.530	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	3:4:3:1:	4:4:	C-4:C-4:N-2:H-1:	N-3:C-4:C-3:H-1:	S-4:C-4:	C(CCHN)(CF3)(NS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	N(SC[6a]OO)(CCCH)	C(CCHN)(CF3)(NS)(H)	C(NC[6a]H)(CCHN)(CCH)(H)	N(SC[6a]OO)(CCCH)	112.1630	0.000	1	112.1630	0.000	1	112.1630	0.000	1	112.1630	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC3)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]C)(CCCH)	C(CC3)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]C)(CCCH)	108.6965	0.327	2	108.6965	0.107	2	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC3)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	C(CC3)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	107.5785	1.019	4	107.5785	1.038	4	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCCH)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	C(CCCH)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	107.2335	0.141	2	107.2335	0.020	2	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)	C(CCHH)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6]O)(CCCH)	110.2050	0.000	1	110.2050	0.000	1	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[6a]HN)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]2)(CCCH)	C(CC[6a]HN)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]2)(CCCH)	106.8825	0.327	2	106.8825	0.107	2	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[6a]HN)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	C(CC[6a]HN)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	109.4935	0.579	2	109.4935	0.335	2	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CC[6a]HO)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	C(CC[6a]HO)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	108.8790	0.000	2	108.8790	0.000	2	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[3x3,4,3x5,14x6]N)(CCCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[3x3,4,3x5,14x6]N)(CCCH)	108.7510	0.721	2	108.7510	0.520	2	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[5x3,5x5,20x6]N)(CCCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[5x3,5x5,20x6]N)(CCCH)	108.0192	1.439	6	108.0192	2.071	6	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[6]C)(CCCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[6]C)(CCCH)	108.0775	1.433	2	108.0775	2.054	2	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	108.9272	0.412	6	108.9272	0.170	6	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[6a]N)(CCCH)	109.5399	1.288	36	109.5399	1.659	36	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[6a]N[6])(CCCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CC[6a]N[6])(CCCH)	107.6145	0.040	2	107.6145	0.002	2	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CN[5a]N)(CCCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CN[5a]N)(CCCH)	108.7244	0.779	14	108.7244	0.607	14	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CHHN)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]2)(CCCH)	C(CHHN)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]2)(CCCH)	108.3910	0.000	1	108.3910	0.000	1	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CHHN)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	C(CHHN)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	108.7373	0.444	3	108.7373	0.197	3	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CHHO)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	C(CHHO)(CH3)(NC)(H)	C(CCHN)(H)3	N(CC[6a]H)(CCCH)	110.1560	0.110	2	110.1560	0.012	2	108.9208	1.534	89	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:O-1:	C-3:C-4:	C(CHHO)(CH3)(NC)(H)	C(CCHN)(H)2(O)	N(CC[6a]H)(CCCH)	C(CHHO)(CH3)(NC)(H)	C(CCHN)(H)2(O)	N(CC[6a]H)(CCCH)	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	108.9081	1.531	90	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:F-1:F-1:F-1:	C-4:N-2:	C(CCHH)(CF3)(NN)(H)	C(CCHN)(F)3	N(CCCH)(NN)	C(CCHH)(CF3)(NN)(H)	C(CCHN)(F)3	N(CCCH)(NN)	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	109.1659	2.492	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CFe)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CFe)	109.2185	0.824	2	109.2185	0.679	2	109.0434	0.914	10	109.1659	2.492	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CPd)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CPd)	108.6745	0.692	4	108.6745	0.479	4	109.0434	0.914	10	109.1659	2.492	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CPt)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CPt)	109.3247	1.315	4	109.3247	1.729	4	109.0434	0.914	10	109.1659	2.492	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)2(NN)(H)	C(CCHN)(H)3	N(CCCH)(NC)	C(CH3)2(NN)(H)	C(CCHN)(H)3	N(CCCH)(NC)	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	109.1659	2.492	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:2:	C[3]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	C(CC[3]HN)(H)3	N(CC[3]CH)(NN)	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	C(CC[3]HN)(H)3	N(CC[3]CH)(NN)	112.9600	0.000	1	112.9600	0.000	1	112.9600	0.000	1	109.1659	2.492	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:2:	C[4]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[4]C[4]O[4]H)(CH3)(NN)(H)	C(CC[4]HN)(H)3	N(CC[4]CH)(NN)	C(C[4]C[4]O[4]H)(CH3)(NN)(H)	C(CC[4]HN)(H)3	N(CC[4]CH)(NN)	110.5260	0.000	1	110.5260	0.000	1	110.5260	0.000	1	109.1659	2.492	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:Cl-1:H-1:H-1:	C-4:C-3:	C(CClHH)(CCHH)(NC)(H)	C(CCHN)(Cl)(H)2	N(CCCH)(CCH)	C(CClHH)(CCHH)(NC)(H)	C(CCHN)(Cl)(H)2	N(CCCH)(CCH)	109.3230	0.700	2	109.3230	0.490	2	109.3230	0.490	2	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CC[6a]ClH)(CH3)(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCH)	C(CC[6a]ClH)(CH3)(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCH)	107.6745	0.077	2	107.6745	0.006	2	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCC)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCC)	108.4253	1.392	4	108.4253	1.938	4	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCH)	108.7560	0.247	2	108.7560	0.061	2	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCN)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCN)	109.0668	1.051	12	109.0668	1.104	12	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCO)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CCO)	109.9395	1.084	4	109.9395	1.175	4	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CHN)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CHN)	109.8515	0.310	2	109.8515	0.096	2	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNN)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNN)	109.7437	2.020	12	109.7437	4.081	12	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNO)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNO)	109.5560	1.264	2	109.5560	1.598	2	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNP)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNP)	108.8521	1.160	30	108.8521	1.346	30	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNS)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNS)	109.9375	1.192	4	109.9375	1.420	4	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNW)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNW)	109.3020	0.585	4	109.3020	0.343	4	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CZrC)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CZrC)	108.8930	1.167	2	108.8930	1.361	2	109.1396	1.697	80	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C-4:P-4:N-2:H-1:	C-4:Cl-1:Cl-1:Cl-1:	C-4:C-3:	C(CCl3)(PO3)(NC)(H)	C(CHNP)(Cl)3	N(CCHP)(CCO)	C(CCl3)(PO3)(NC)(H)	C(CHNP)(Cl)3	N(CCHP)(CCO)	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C[3x6]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(CC[6a]H)	C(C[3x6]C[6,6]3)(CH3)(NC)(H)	C(CC[3x6]HN)(H)3	N(CC[3x6]CH)(CC[6a]H)	107.5240	0.532	5	107.5240	0.283	5	107.5240	0.283	5	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C[6]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CH3)(NC)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CC[6a]H)	C(C[6]C[6]2H)(CH3)(NC)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CC[6a]H)	106.3705	0.958	2	106.3705	0.918	2	107.4663	4.062	3	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:3:	C[6]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CCO)	C(C[6]C[6]N[6]O)(CH3)(NC)(H)	C(CC[6]HN)(H)3	N(CC[6]CH)(CCO)	109.6580	0.000	1	109.6580	0.000	1	107.4663	4.062	3	109.0215	1.867	91	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:F-1:F-1:F-1:	S-4:C-4:	C(CCHN)(CF3)(NS)(H)	C(CCHN)(F)3	N(SC[6a]OO)(CCCH)	C(CCHN)(CF3)(NS)(H)	C(CCHN)(F)3	N(SC[6a]OO)(CCCH)	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNNU)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)(CNNU)	111.0900	0.071	2	111.0900	0.005	2	109.8799	2.686	16	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)2	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CCCH)2	109.1958	2.498	4	109.1958	6.239	4	109.8799	2.686	16	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CRuNN)(CCCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CRuNN)(CCCH)	109.8990	1.455	2	109.8990	2.118	2	109.8799	2.686	16	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CThCO)(CCCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CThCO)(CCCH)	109.0795	0.047	2	109.0795	0.002	2	109.8799	2.686	16	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CTiNN)(CCCH)	C(CH3)2(NC)(H)	C(CCHN)(H)3	N(CTiNN)(CCCH)	110.1932	1.598	6	110.1932	2.555	6	109.8799	2.686	16	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(CCCH)(PCNO)	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(CCCH)(PCNO)	110.5115	0.688	8	110.5115	0.473	8	110.5115	0.473	8	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CC3)(CH3)(NP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)	C(CC3)(CH3)(NP)(H)	C(CCHN)(H)3	N(PC[6a]2O)(CCCH)	110.4590	0.000	1	110.4590	0.000	1	110.7033	1.808	13	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PC[6a]2C)(CCCH)	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PC[6a]2C)(CCCH)	110.8250	2.389	2	110.8250	5.705	2	110.7033	1.808	13	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PC[6a]2Co)(CCCH)	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PC[6a]2Co)(CCCH)	110.4015	0.384	2	110.4015	0.147	2	110.7033	1.808	13	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PC[6a]CrN)(CCCH)	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PC[6a]CrN)(CCCH)	110.6220	0.392	2	110.6220	0.153	2	110.7033	1.808	13	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PC[6a]PdN)(CCCH)	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PC[6a]PdN)(CCCH)	110.4445	1.322	2	110.4445	1.747	2	110.7033	1.808	13	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PPdCN)(CCCH)	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PPdCN)(CCCH)	111.0245	2.091	4	111.0245	4.372	4	110.7033	1.808	13	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	4:4:	C[5]-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(C[5]C[5]2Fe)(CH3)(NS)(H)	C(CC[5]HN)(H)3	N(SC[6a]OO)(CC[5]CH)	C(C[5]C[5]2Fe)(CH3)(NS)(H)	C(CC[5]HN)(H)3	N(SC[6a]OO)(CC[5]CH)	112.1400	0.000	1	112.1400	0.000	1	112.1400	0.000	1	110.3811	1.972	39	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:1:1:1:	5:4:	C-4:C-4:N-2:H-1:	C-4:H-1:H-1:H-1:	P-5:C-4:	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PCeCNO)(CCCH)	C(CH3)2(NP)(H)	C(CCHN)(H)3	N(PCeCNO)(CCCH)	110.0500	0.173	2	110.0500	0.030	2	110.0500	0.030	2	110.0500	0.030	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:	C(CHHN)(CH3)(NC)(H)	C(CCHN)(NC)(H)2	N(CC[6a]2)(CCCH)	C(CHHN)(CH3)(NC)(H)	C(CCHN)(NC)(H)2	N(CC[6a]2)(CCCH)	109.1330	0.000	1	109.1330	0.000	1	109.2270	0.795	4	108.2480	1.289	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:N-2:H-1:H-1:	C-3:C-4:	C(CHHN)(CH3)(NC)(H)	C(CCHN)(NC)(H)2	N(CC[6a]H)(CCCH)	C(CHHN)(CH3)(NC)(H)	C(CCHN)(NC)(H)2	N(CC[6a]H)(CCCH)	109.2583	1.090	3	109.2583	1.187	3	109.2270	0.795	4	108.2480	1.289	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]N[6])(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(OC)(H)2	N(CC[6a]N[6])(CCCH)	107.2150	0.419	3	107.2150	0.175	3	108.0177	1.166	17	108.2480	1.289	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]C)(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]C)(CCCH)	107.3787	0.863	4	107.3787	0.744	4	108.0177	1.166	17	108.2480	1.289	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]H)(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]H)(CCCH)	108.1857	0.693	4	108.1857	0.480	4	108.0177	1.166	17	108.2480	1.289	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CCHH)(CHHO)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]H)(CCCH)	C(CCHH)(CHHO)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]H)(CCCH)	107.8970	0.576	2	107.8970	0.331	2	108.0177	1.166	17	108.2480	1.289	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(CC3)(NC)(H)	C(CCHN)(OP)(H)2	N(CN[5]Pd)(CCCH)	C(CHHO)(CC3)(NC)(H)	C(CCHN)(OP)(H)2	N(CN[5]Pd)(CCCH)	108.8455	0.032	2	108.8455	0.001	2	108.0177	1.166	17	108.2480	1.289	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(CH3)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]H)(CCCH)	C(CHHO)(CH3)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]H)(CCCH)	107.8620	0.000	1	107.8620	0.000	1	108.0177	1.166	17	108.2480	1.289	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-3:C-4:	C(CHHO)(CHHS)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)	C(CHHO)(CHHS)(NC)(H)	C(CCHN)(OH)(H)2	N(CC[6a]O)(CCCH)	111.0510	0.000	1	111.0510	0.000	1	108.0177	1.166	17	108.2480	1.289	21	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:C-2:	C(CHHO)(CC3)(NC)(H)	C(CCHN)(OP)(H)2	N(CCCH)(CPd)	C(CHHO)(CC3)(NC)(H)	C(CCHN)(OP)(H)2	N(CCCH)(CPd)	107.6410	0.235	3	107.6410	0.055	3	107.6410	0.055	3	107.9353	0.955	10	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	4:2:	C[5]-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:N-2:	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OC)(H)2	N(CC[5]CH)(NN)	C(C[5]C[5,5]C[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OC)(H)2	N(CC[5]CH)(NN)	107.8440	0.000	1	107.8440	0.000	1	108.0614	1.352	7	107.9353	0.955	10	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	4:2:	C[5]-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:N-2:	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OC)(H)2	N(CC[5]CH)(NN)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OC)(H)2	N(CC[5]CH)(NN)	107.7060	0.000	1	107.7060	0.000	1	108.0614	1.352	7	107.9353	0.955	10	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	4:2:	C[5]-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	C-4:N-2:	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OH)(H)2	N(CC[5]CH)(NN)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	C(CC[5]HN)(OH)(H)2	N(CC[5]CH)(NN)	108.1760	1.403	5	108.1760	1.968	5	108.0614	1.352	7	107.9353	0.955	10	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:N-2:H-1:H-1:	C-4:C-3:	C(CC[6a]HH)(CHHN)(NC)(H)	C(CCHN)(NC)(H)2	N(CCCH)(CNO)	C(CC[6a]HH)(CHHN)(NC)(H)	C(CCHN)(NC)(H)2	N(CCCH)(CNO)	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:	C(CCCH)(CHHO)(NS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]CO)(CCCH)	C(CCCH)(CHHO)(NS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]CO)(CCCH)	104.9360	1.381	3	104.9360	1.907	3	105.6125	3.102	4	107.2813	9.103	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:O-2:H-1:H-1:	S-4:C-4:	C(CC[6a]HO)(CHHO)(NS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)	C(CC[6a]HO)(CHHO)(NS)(H)	C(CCHN)(OH)(H)2	N(SC[6a]OO)(CCCH)	107.6420	0.000	1	107.6420	0.000	1	105.6125	3.102	4	107.2813	9.103	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:S-2:H-1:H-1:	S-4:C-4:	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(SC)(H)2	N(SC[6a]OO)(CCCH)	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(SC)(H)2	N(SC[6a]OO)(CCCH)	109.4380	0.000	1	109.4380	0.000	1	110.6190	2.790	2	107.2813	9.103	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:2:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:S-2:H-1:H-1:	S-4:C-4:	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(SS)(H)2	N(SC[6a]OO)(CCCH)	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(SS)(H)2	N(SC[6a]OO)(CCCH)	111.8000	0.000	1	111.8000	0.000	1	110.6190	2.790	2	107.2813	9.103	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:3:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:S-3:H-1:H-1:	C-3:C-4:	C(CHHO)(CHHS)(NC)(H)	C(CCHN)(SCO)(H)2	N(CC[6a]O)(CCCH)	C(CHHO)(CHHS)(NC)(H)	C(CCHN)(SCO)(H)2	N(CC[6a]O)(CCCH)	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	110.3010	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:3:1:1:	4:2:	C[5]-4:C-4:N-2:H-1:	C-4:C-3:H-1:H-1:	C-4:N-2:	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	C(CC[5]HN)(COO)(H)2	N(CC[5]CH)(NN)	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	C(CC[5]HN)(COO)(H)2	N(CC[5]CH)(NN)	105.4050	0.000	1	105.4050	0.000	1	105.4050	0.000	1	105.4050	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:3:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:N-3:H-1:H-1:	C-4:C-3:	C(CCHH)(CHHN)(NC)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)	C(CCHH)(CHHN)(NC)(H)	C(CCHN)(NCH)(H)2	N(CCCH)(CNO)	110.3700	0.000	1	110.3700	0.000	1	110.3700	0.000	1	110.3395	0.002	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:N-2:H-1:	C-4:N-3:H-1:H-1:	C-4:S-3:	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	C(CC[5]HN)(NOO)(H)2	N(CC[5]CH)(SCO)	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	C(CC[5]HN)(NOO)(H)2	N(CC[5]CH)(SCO)	110.3090	0.000	1	110.3090	0.000	1	110.3090	0.000	1	110.3395	0.002	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:	C(CCHH)(CHHN)(NS)(H)	C(CCHN)(NCC)(H)2	N(SC[6a]OO)(CCCH)	C(CCHH)(CHHN)(NS)(H)	C(CCHN)(NCC)(H)2	N(SC[6a]OO)(CCCH)	105.6940	0.000	1	105.6940	0.000	1	108.9930	21.767	2	108.9930	21.767	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:3:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:N-3:H-1:H-1:	S-4:C-4:	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	C(CCHN)(NCS)(H)2	N(SC[6a]OO)(CCCH)	C(CC[5a]C[6a]H)(CHHN)(NS)(H)	C(CCHN)(NCS)(H)2	N(SC[6a]OO)(CCCH)	112.2920	0.000	1	112.2920	0.000	1	108.9930	21.767	2	108.9930	21.767	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	2:4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	N-2:C-4:	C(CC[6a]HH)(CCHH)(NN)(H)	C(CCHN)(CF3)(H)2	N(NC[6a])(CCCH)	C(CC[6a]HH)(CCHH)(NN)(H)	C(CCHN)(CF3)(H)2	N(NC[6a])(CCCH)	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	108.9730	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CH3)(NC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6]O)(CCCH)	C(CCHH)(CH3)(NC)(H)	C(CCHH)(CCHN)(H)2	N(CC[6]O)(CCCH)	106.2360	0.000	1	106.2360	0.000	1	108.4123	3.666	3	109.6345	8.419	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCHH)(CHHO)(NC)(H)	C(CCHN)(CH3)(H)2	N(CC[6a]H)(CCCH)	C(CCHH)(CHHO)(NC)(H)	C(CCHN)(CH3)(H)2	N(CC[6a]H)(CCCH)	109.5005	0.477	2	109.5005	0.228	2	108.4123	3.666	3	109.6345	8.419	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	3:4:	C-4:C-4:N-2:H-1:	Si-4:C-4:H-1:H-1:	S-3:C-4:	C(CC[6a]CH)(CSiHH)(NS)(H)	C(SiC[6a]2C)(CCHN)(H)2	N(SC[6a]O)(CCCH)	C(CC[6a]CH)(CSiHH)(NS)(H)	C(SiC[6a]2C)(CCHN)(H)2	N(SC[6a]O)(CCCH)	113.3010	0.000	1	113.3010	0.000	1	113.3010	0.000	1	109.6345	8.419	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(CCCH)(CCHH)(NN)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(NN)	C(CCCH)(CCHH)(NN)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(NN)	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	110.4964	3.018	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:2:	C[5]-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	C(CC[5]HN)(CH3)(H)2	N(CC[5]CH)(NN)	C(C[5]C[5]N[5]H)(CCHH)(NN)(H)	C(CC[5]HN)(CH3)(H)2	N(CC[5]CH)(NN)	110.6660	1.958	4	110.6660	3.832	4	110.6660	3.832	4	110.4964	3.018	5	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CCHH)(CHHN)(NC)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CNO)	C(CCHH)(CHHN)(NC)(H)	C(CCCH)(CCHN)(H)2	N(CCCH)(CNO)	110.3640	0.000	1	110.3640	0.000	1	109.5785	2.382	4	110.1992	2.716	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CC[5]HO)(CCHH)(NC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)	C(CC[5]HO)(CCHH)(NC)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(COO)	111.0450	0.000	1	111.0450	0.000	1	109.5785	2.382	4	110.1992	2.716	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:C-3:	C(CClHH)(CCHH)(NC)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCH)	C(CClHH)(CCHH)(NC)(H)	C(CCHN)(CH3)(H)2	N(CCCH)(CCH)	108.4525	1.357	2	108.4525	1.841	2	109.5785	2.382	4	110.1992	2.716	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	C-4:S-3:	C(CC[6a]2O)(CCHH)(NS)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(SCO)	C(CC[6a]2O)(CCHH)(NS)(H)	C(CCHH)(CCHN)(H)2	N(CCCH)(SCO)	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	110.1992	2.716	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:3:	C[3x6]-4:C-4:N-2:H-1:	C[4]-4:C-4:H-1:H-1:	C-4:C-3:	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	C(C[4]C[3,4]C[4]H)(CC[3x6]HN)(H)2	N(CC[3x6]CH)(CC[3]H)	C(C[3x6]C[6,6]3)(CC[4]HH)(NC)(H)	C(C[4]C[3,4]C[4]H)(CC[3x6]HN)(H)2	N(CC[3x6]CH)(CC[3]H)	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	110.1992	2.716	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	P-4:C-4:	C(CSiCC)(CCHH)(NP)(H)	C(CC[6a]HH)(CCHN)(H)2	N(PC[6a]2O)(CCCH)	C(CSiCC)(CCHH)(NP)(H)	C(CC[6a]HH)(CCHN)(H)2	N(PC[6a]2O)(CCCH)	109.9360	0.000	1	109.9360	0.000	1	109.9360	0.000	1	110.7952	2.131	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)	110.1715	0.497	2	110.1715	0.247	2	110.9670	2.442	5	110.7952	2.131	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(CHHN)(NS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)	C(CCHH)(CHHN)(NS)(H)	C(CCCH)(CCHN)(H)2	N(SC[6a]OO)(CCCH)	113.2490	0.000	1	113.2490	0.000	1	110.9670	2.442	5	110.7952	2.131	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CH3)(H)2	N(SC[6a]OO)(CCCH)	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CH3)(H)2	N(SC[6a]OO)(CCCH)	109.4360	0.000	1	109.4360	0.000	1	110.9670	2.442	5	110.7952	2.131	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:1:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CHHO)(H)2	N(SC[6a]OO)(CCCH)	C(CCHH)(CHHS)(NS)(H)	C(CCHN)(CHHO)(H)2	N(SC[6a]OO)(CCCH)	111.8070	0.000	1	111.8070	0.000	1	110.9670	2.442	5	110.7952	2.131	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(NH)(H)	C(CCCH)(CCHN)(OH)(H)	N(CCCH)(H)	C(CCHO)2(NH)(H)	C(CCCH)(CCHN)(OH)(H)	N(CCCH)(H)	106.5260	0.000	1	106.5260	0.000	1	106.6295	0.021	2	106.6295	0.021	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:1:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:H-1:	C(CCHO)2(NH)(H)	C(CCHN)(CCHO)(OSi)(H)	N(CCCH)(H)	C(CCHO)2(NH)(H)	C(CCHN)(CCHO)(OSi)(H)	N(CCCH)(H)	106.7330	0.000	1	106.7330	0.000	1	106.6295	0.021	2	106.6295	0.021	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:C-4:N-2:H-1:	C-4:N-2:	C(CCHN)(CCHO)(NN)(H)	C(CC[5]HO)(CCHN)(NN)(H)	N(CCCH)(NN)	C(CCHN)(CCHO)(NN)(H)	C(CC[5]HO)(CCHN)(NN)(H)	N(CCCH)(NN)	106.3780	0.000	1	106.3780	0.000	1	106.3105	0.009	2	107.6496	7.554	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:C-4:N-2:H-1:	C-4:N-2:	C(CC[5]HO)(CCHN)(NN)(H)	C(CCHN)(CCHO)(NN)(H)	N(CCCH)(NN)	C(CC[5]HO)(CCHN)(NN)(H)	C(CCHN)(CCHO)(NN)(H)	N(CCCH)(NN)	106.2430	0.000	1	106.2430	0.000	1	106.3105	0.009	2	107.6496	7.554	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:N-2:	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OC)(H)	N(CCCH)(NN)	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OC)(H)	N(CCCH)(NN)	106.7120	0.595	2	106.7120	0.354	2	106.6102	5.452	6	107.6496	7.554	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:N-2:	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(NN)	C(CCHO)2(NN)(H)	C(CCHH)(CCHN)(OH)(H)	N(CCCH)(NN)	104.0415	0.545	2	104.0415	0.297	2	106.6102	5.452	6	107.6496	7.554	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:N-2:	C(CCHO)2(NN)(H)	C(CClCH)(CCHN)(OH)(H)	N(CCCH)(NN)	C(CCHO)2(NN)(H)	C(CClCH)(CCHN)(OH)(H)	N(CCCH)(NN)	109.0770	1.105	2	109.0770	1.220	2	106.6102	5.452	6	107.6496	7.554	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:2:	C-4:C-4:N-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:N-2:	C(CC[5]HO)(CCHN)(NN)(H)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	N(CCCH)(NN)	C(CC[5]HO)(CCHN)(NN)(H)	C(C[5]N[5]S[5]H)(CCHN)(OC)(H)	N(CCCH)(NN)	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	107.6496	7.554	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:2:	C-4:C-4:N-2:H-1:	C[6]-4:C-4:O-2:H-1:	C-4:N-2:	C(CC[6a]HH)(CC[6]HO)(NN)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	N(CCCH)(NN)	C(CC[6a]HH)(CC[6]HO)(NN)(H)	C(C[6]C[6]2H)(CCHN)(OC)(H)	N(CCCH)(NN)	111.8920	1.421	2	111.8920	2.020	2	111.8920	2.020	2	107.6496	7.554	11	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:C-4:O-2:H-1:	C-4:C-3:	C(CCCH)(CCHO)(NC)(H)	C(CCCH)(CCHN)(OH)(H)	N(CCCH)(COO)	C(CCCH)(CCHO)(NC)(H)	C(CCCH)(CCHN)(OH)(H)	N(CCCH)(COO)	111.3330	0.000	1	111.3330	0.000	1	111.3330	0.000	1	109.0665	2.482	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:3:	C-4:C-4:N-2:H-1:	C[5]-4:C-4:O-2:H-1:	C-4:C-3:	C(CC[5]HO)(CCHH)(NC)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	N(CCCH)(COO)	C(CC[5]HO)(CCHH)(NC)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	N(CCCH)(COO)	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	109.0665	2.482	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:2:1:	4:3:	C[6]-4:C-4:N-2:H-1:	C[6]-4:C-4:N-2:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	N(CC[6]CH)(CC[6a]H)	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	C(C[6]C[6]2H)(CC[6]HN)(NC)(H)	N(CC[6]CH)(CC[6a]H)	108.6015	0.299	2	108.6015	0.089	2	108.6015	0.089	2	109.0665	2.482	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:3:1:	4:2:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:N-2:	C(CCCH)(CCHH)(NN)(H)	C(CCHN)(CHHS)(CCH)(H)	N(CCCH)(NN)	C(CCCH)(CCHH)(NN)(H)	C(CCHN)(CHHS)(CCH)(H)	N(CCCH)(NN)	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:3:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:	C(CCCH)2(NC)(H)	C(CCHN)(CH3)(COO)(H)	N(CCCH)(COO)	C(CCCH)2(NC)(H)	C(CCHN)(CH3)(COO)(H)	N(CCCH)(COO)	110.0380	0.000	1	110.0380	0.000	1	110.0380	0.000	1	111.3970	3.694	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:3:1:	4:3:	C[5]-4:C-4:N-2:H-1:	C-4:C-4:N-3:H-1:	C-4:S-3:	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	C(CC[5]HN)(CCHH)(NOO)(H)	N(CC[5]CH)(SCO)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	C(CC[5]HN)(CCHH)(NOO)(H)	N(CC[5]CH)(SCO)	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	111.3970	3.694	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:3:2:	4:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:N-2:	S-4:C-4:	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NC)	N(SC[6a]OO)(CCCH)	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NC)	N(SC[6a]OO)(CCCH)	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:3:3:	4:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-3:N-3:	S-4:C-4:	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	N(SC[6a]OO)(CCCH)	C(CCCN)(CCHH)(NS)(H)	C(CC[6a]HH)(CCHN)(COO)(NCH)	N(SC[6a]OO)(CCCH)	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:Cl-1:	S-3:C-4:	C(CClCC)(CCHN)(NS)(H)	C(CCHN)(CH3)2(Cl)	N(SC[6a]O)(CCCH)	C(CClCC)(CCHN)(NS)(H)	C(CCHN)(CH3)2(Cl)	N(SC[6a]O)(CCCH)	109.9540	0.000	1	109.9540	0.000	1	109.9540	0.000	1	109.5751	1.306	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CH3)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]H)(CCCH)	C(CCCH)(CH3)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]H)(CCCH)	108.5885	0.998	2	108.5885	0.995	2	109.5480	1.395	14	109.5751	1.306	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]C)(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]C)(CCCH)	109.1450	0.805	4	109.1450	0.648	4	109.5480	1.395	14	109.5751	1.306	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]H)(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]H)(CCCH)	110.9620	0.856	4	110.9620	0.733	4	109.5480	1.395	14	109.5751	1.306	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]N[6])(CCCH)	C(CCCH)(CHHO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]N[6])(CCCH)	108.8543	0.730	3	108.8543	0.533	3	109.5480	1.395	14	109.5751	1.306	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:1:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CC[6a]2O)(CCCH)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]H)(CCCH)	C(CC[6a]2O)(CCCH)(NC)(H)	C(CCHN)(CH3)2(H)	N(CC[6a]H)(CCCH)	109.5040	0.000	1	109.5040	0.000	1	109.5480	1.395	14	109.5751	1.306	15	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:1:	4:1:	C[3x6]-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-1:	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	C(CC[3x6]HN)(CCHH)(CH3)(H)	N(CC[3x6]CH)(C)	C(C[3x6]O[6,6]3)(CCCH)(NC)(H)	C(CC[3x6]HN)(CCHH)(CH3)(H)	N(CC[3x6]CH)(C)	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)(CCHO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)	C(CCCH)(CCHO)(NC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)	109.2970	0.000	1	109.2970	0.000	1	110.0065	1.007	2	110.0065	1.007	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:1:	4:3:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	C-4:C-3:	C(CCCH)2(NC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)	C(CCCH)2(NC)(H)	C(CCHN)(CH3)2(H)	N(CCCH)(COO)	110.7160	0.000	1	110.7160	0.000	1	110.0065	1.007	2	110.0065	1.007	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:1:	4:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:H-1:	S-4:C-4:	C(CCCH)(CHHO)(NS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]CO)(CCCH)	C(CCCH)(CHHO)(NS)(H)	C(CCHN)(CH3)2(H)	N(SC[6a]CO)(CCCH)	111.1617	0.155	3	111.1617	0.024	3	111.1617	0.024	3	111.1617	0.024	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:3:	4:4:	C-4:C-4:N-2:H-1:	C-4:Si-4:C-4:C-3:	P-4:C-4:	C(CSiCC)(CCHH)(NP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	N(PC[6a]2O)(CCCH)	C(CSiCC)(CCHH)(NP)(H)	C(CCHN)(SiC3)(CH3)(CCH)	N(PC[6a]2O)(CCCH)	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	110.2520	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:4:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(CH3)(NC)(H)	C(CCHN)(CH3)3	N(CC[6a]C)(CCCH)	C(CC3)(CH3)(NC)(H)	C(CCHN)(CH3)3	N(CC[6a]C)(CCCH)	109.2130	0.180	2	109.2130	0.032	2	110.6381	2.029	8	110.6381	2.029	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:4:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CC3)(CH3)(NC)(H)	C(CCHN)(CH3)3	N(CC[6a]H)(CCCH)	C(CC3)(CH3)(NC)(H)	C(CCHN)(CH3)3	N(CC[6a]H)(CCCH)	110.3430	0.735	4	110.3430	0.540	4	110.6381	2.029	8	110.6381	2.029	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:4:	3:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-3:C-4:	C(CHHO)(CC3)(NC)(H)	C(CCHN)(CH3)3	N(CN[5]Pd)(CCCH)	C(CHHO)(CC3)(NC)(H)	C(CCHN)(CH3)3	N(CN[5]Pd)(CCCH)	112.6535	0.122	2	112.6535	0.015	2	110.6381	2.029	8	110.6381	2.029	8	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:4:	4:2:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	C-4:C-2:	C(CHHO)(CC3)(NC)(H)	C(CCHN)(CH3)3	N(CCCH)(CPd)	C(CHHO)(CC3)(NC)(H)	C(CCHN)(CH3)3	N(CCCH)(CPd)	110.2187	2.052	3	110.2187	4.212	3	110.2187	4.212	3	110.2187	4.212	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:1:	4:4:4:4:	4:4:	C-4:C-4:N-2:H-1:	C-4:C-4:C-4:C-4:	P-4:C-4:	C(CC3)(CH3)(NP)(H)	C(CCHN)(CH3)3	N(PC[6a]2O)(CCCH)	C(CC3)(CH3)(NP)(H)	C(CCHN)(CH3)3	N(PC[6a]2O)(CCCH)	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:2:	3:4:1:1:	4:3:	C[6]-4:C-4:C-2:N-2:	C[5a]-3:C-4:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	N(CC[6]CC)(CC[6a]H)	C(C[6]C[6]2H)(CC[5a]HH)(CN)(NC)	C(C[5a]C[5a,6a]C[5a])(CC[6]CN)(H)2	N(CC[6]CC)(CC[6a]H)	107.3880	0.000	1	107.3880	0.000	1	107.3880	0.000	1	107.3880	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:C-2:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)2(CN)(NN)	C(CCCN)(H)3	N(CC3)(NC)	C(CH3)2(CN)(NN)	C(CCCN)(H)3	N(CC3)(NC)	106.9180	0.407	2	106.9180	0.166	2	106.9180	0.166	2	108.7578	7.385	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:2:	4:1:1:1:	4:2:	C-4:C-4:N-2:O-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)2(NN)(OO)	C(CCNO)(H)3	N(CCCO)(NC)	C(CH3)2(NN)(OO)	C(CCNO)(H)3	N(CCCO)(NC)	110.5975	2.907	2	110.5975	8.450	2	110.5975	8.450	2	108.7578	7.385	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:2:2:	4:1:1:1:	4:3:	C-4:C-4:C-2:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(CN)(NC)	C(CCCN)(H)3	N(CC3)(CCO)	C(CH3)2(CN)(NC)	C(CCCN)(H)3	N(CC3)(CCO)	108.7205	2.890	2	108.7205	8.352	2	108.7205	8.352	2	108.7205	8.352	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	3:4:1:1:	3:4:	C-4:C-4:C-3:N-2:	C[6a]-3:C-4:H-1:H-1:	C-3:C-4:	C(CC[6a]HH)(CCHN)(COO)(NC)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)	C(CC[6a]HH)(CCHN)(COO)(NC)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC[6a]O)(CC3)	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	3:4:1:1:	4:2:	C-4:C-4:C-3:N-2:	C[6a]-3:C-4:H-1:H-1:	C-4:C-2:	C(CC[6a]HH)(CCCN)(COO)(NC)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(CS)	C(CC[6a]HH)(CCCN)(COO)(NC)	C(C[6a]C[6a]2)(CCCN)(H)2	N(CC3)(CS)	110.1325	0.590	2	110.1325	0.349	2	110.1325	0.349	2	110.1325	0.349	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	2:4:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	N-2:C-4:	C(CH3)2(COO)(NN)	C(CCCN)(H)3	N(NC[6a])(CC3)	C(CH3)2(COO)(NN)	C(CCCN)(H)3	N(NC[6a])(CC3)	107.9678	3.835	12	107.9678	14.706	12	107.9678	14.706	12	108.4044	15.612	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	2:4:	C-4:C-4:N-3:N-2:	C-4:H-1:H-1:H-1:	N-2:C-4:	C(CH3)2(NOO)(NN)	C(CCNN)(H)3	N(NC[6a])(CCCN)	C(CH3)2(NOO)(NN)	C(CCNN)(H)3	N(NC[6a])(CCCN)	111.0245	5.017	2	111.0245	25.170	2	111.0245	25.170	2	108.4044	15.612	14	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	3:4:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCCN)(CH3)(COO)(NC)	C(CCCN)(H)3	N(CC[6a]H)(CC3)	C(CCCN)(CH3)(COO)(NC)	C(CCCN)(H)3	N(CC[6a]H)(CC3)	112.6855	4.110	2	112.6855	16.895	2	112.6855	16.895	2	112.6855	16.895	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:1:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CCCH)(CH3)(COO)(NH)	C(CCCN)(H)3	N(CC3)(H)	C(CCCH)(CH3)(COO)(NH)	C(CCCN)(H)3	N(CC3)(H)	111.1540	0.000	1	111.1540	0.000	1	111.1540	0.000	1	111.1540	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:2:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(CHH)(NC)	C(CCCN)(H)3	N(CC3)(CMn)	C(CH3)2(CHH)(NC)	C(CCCN)(H)3	N(CC3)(CMn)	106.8310	1.318	2	106.8310	1.737	2	107.9890	0.972	7	109.6663	3.773	29	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:2:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)2(COO)(NC)	C(CCCN)(H)3	N(CC3)(CMo)	C(CH3)2(COO)(NC)	C(CCCN)(H)3	N(CC3)(CMo)	108.4522	0.292	5	108.4522	0.085	5	107.9890	0.972	7	109.6663	3.773	29	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:2:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)2(CNO)(NN)	C(CCCN)(H)3	N(CC3)(NN)	C(CH3)2(CNO)(NN)	C(CCCN)(H)3	N(CC3)(NN)	110.2000	1.875	22	110.2000	3.516	22	110.2000	3.516	22	109.6663	3.773	29	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:3:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(CNO)(NC)	C(CCCN)(H)3	N(CC3)(CCO)	C(CH3)2(CNO)(NC)	C(CCCN)(H)3	N(CC3)(CCO)	110.1390	2.133	2	110.1390	4.548	2	109.4629	4.636	9	109.4629	4.636	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:3:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(CNO)(NC)	C(CCCN)(H)3	N(CC3)(COO)	C(CH3)2(CNO)(NC)	C(CCCN)(H)3	N(CC3)(COO)	108.9175	3.526	2	108.9175	12.435	2	109.4629	4.636	9	109.4629	4.636	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:3:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)2(COO)(NC)	C(CCCN)(H)3	N(CC3)(CCO)	C(CH3)2(COO)(NC)	C(CCCN)(H)3	N(CC3)(CCO)	109.0722	2.331	4	109.0722	5.431	4	109.4629	4.636	9	109.4629	4.636	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:3:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CSiHH)(CH3)(COO)(NC)	C(CCCN)(H)3	N(CC3)(CCO)	C(CSiHH)(CH3)(COO)(NC)	C(CCCN)(H)3	N(CC3)(CCO)	110.7640	0.000	1	110.7640	0.000	1	109.4629	4.636	9	109.4629	4.636	9	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:4:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(CH3)2(CNO)(NS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)	C(CH3)2(CNO)(NS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)	109.8520	5.207	2	109.8520	27.114	2	109.5042	14.276	4	109.5042	14.276	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:1:1:1:	4:4:	C-4:C-4:C-3:N-2:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(CH3)2(COO)(NS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)	C(CH3)2(COO)(NS)	C(CCCN)(H)3	N(SC[6a]OO)(CC3)	109.1565	3.903	2	109.1565	15.230	2	109.5042	14.276	4	109.5042	14.276	4	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:4:1:1:	4:3:	C-4:C-4:C-3:N-2:	C-4:Si-4:H-1:H-1:	C-4:C-3:	C(CSiHH)(CH3)(COO)(NC)	C(CCCN)(SiC3)(H)2	N(CC3)(CCO)	C(CSiHH)(CH3)(COO)(NC)	C(CCCN)(SiC3)(H)2	N(CC3)(CCO)	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	107.0360	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:4:2:1:	3:4:	C-4:C-4:C-3:N-2:	C-4:C-4:N-2:H-1:	C-3:C-4:	C(CC[6a]HH)(CCHN)(COO)(NC)	C(CCCN)(CCHH)(NS)(H)	N(CC[6a]O)(CC3)	C(CC[6a]HH)(CCHN)(COO)(NC)	C(CCCN)(CCHH)(NS)(H)	N(CC[6a]O)(CC3)	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	108.8360	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:4:3:1:	4:1:	C-4:C-4:C-3:N-2:	C-4:C-4:C-3:H-1:	C-4:H-1:	C(CCCH)(CH3)(COO)(NH)	C(CCCN)(CH3)(CCH)(H)	N(CC3)(H)	C(CCCH)(CH3)(COO)(NH)	C(CCCN)(CH3)(CCH)(H)	N(CC3)(H)	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:4:3:2:	3:4:	C-4:C-4:C-3:N-2:	C-4:C-4:C-3:N-2:	C-3:C-4:	C(CCCN)(CH3)(COO)(NC)	C(CCCN)(CH3)(COO)(NC)	N(CC[6a]H)(CC3)	C(CCCN)(CH3)(COO)(NC)	C(CCCN)(CH3)(COO)(NC)	N(CC[6a]H)(CC3)	107.0115	0.576	2	107.0115	0.332	2	107.0115	0.332	2	107.0115	0.332	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:3:2:	4:4:3:2:	4:2:	C-4:C-4:C-3:N-2:	C-4:C-4:C-3:N-2:	C-4:C-2:	C(CC[6a]HH)(CCCN)(COO)(NC)	C(CC[6a]HH)(CCCN)(COO)(NC)	N(CC3)(CS)	C(CC[6a]HH)(CCCN)(COO)(NC)	C(CC[6a]HH)(CCCN)(COO)(NC)	N(CC3)(CS)	105.3775	0.057	2	105.3775	0.003	2	105.3775	0.003	2	105.3775	0.003	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CB[3,3,5,3x6])(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CB[3,3,5,3x6])(CC3)	107.1280	0.498	3	107.1280	0.248	3	107.1926	2.473	17	107.1926	2.473	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CB[5])(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CB[5])(CC3)	106.7077	1.192	3	106.7077	1.421	3	107.1926	2.473	17	107.1926	2.473	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CB[6,6])(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CB[6,6])(CC3)	106.9507	0.306	3	106.9507	0.094	3	107.1926	2.473	17	107.1926	2.473	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[6])(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[6])(CC3)	107.4687	4.146	3	107.4687	17.192	3	107.1926	2.473	17	107.1926	2.473	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CNb[3,6])(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CNb[3,6])(CC3)	107.5040	0.163	3	107.5040	0.026	3	107.1926	2.473	17	107.1926	2.473	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	2:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-2:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CNb[6])(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CNb[6])(CC3)	107.4990	0.042	2	107.4990	0.002	2	107.1926	2.473	17	107.1926	2.473	17	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:F-1:F-1:F-1:	C-3:C-4:	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(F)3	N(CC[6a]H)(CC3)	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(F)3	N(CC[6a]H)(CC3)	104.3310	0.000	1	104.3310	0.000	1	104.3310	0.000	1	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCCN)(CH3)2(NC)	C(CCCN)(H)3	N(CC[6]O)(CC3)	C(CCCN)(CH3)2(NC)	C(CCCN)(H)3	N(CC[6]O)(CC3)	108.8490	1.592	4	108.8490	2.534	4	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CCCN)(CH3)2(NC)	C(CCCN)(H)3	N(CC[6a]O)(CC3)	C(CCCN)(CH3)2(NC)	C(CCCN)(H)3	N(CC[6a]O)(CC3)	108.0995	3.700	2	108.0995	13.692	2	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[3]O)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[3]O)(CC3)	108.7360	1.986	3	108.7360	3.944	3	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[5,6]O)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[5,6]O)(CC3)	108.4363	2.035	3	108.4363	4.142	3	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[5]H)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[5]H)(CC3)	108.9685	4.874	12	108.9685	23.759	12	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[5a]H)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[5a]H)(CC3)	108.9857	4.389	9	108.9857	19.260	9	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[5a]O)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[5a]O)(CC3)	108.8223	1.542	6	108.8223	2.379	6	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[6a]H)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[6a]H)(CC3)	108.9959	3.531	36	108.9959	12.467	36	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[6a]N)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[6a]N)(CC3)	109.9039	4.234	57	109.9039	17.924	57	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[6a]O)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC[6a]O)(CC3)	108.4627	2.850	6	108.4627	8.120	6	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CFeC)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CFeC)(CC3)	109.1487	4.434	3	109.1487	19.660	3	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CN[6]O)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CN[6]O)(CC3)	109.7553	4.041	3	109.7553	16.328	3	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CNi2)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CNi2)(CC3)	107.9620	1.541	3	107.9620	2.375	3	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CPdC)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CPdC)(CC3)	109.0135	4.124	6	109.0135	17.004	6	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-3:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CRu2)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CRu2)(CC3)	109.0603	3.258	3	109.0603	10.615	3	109.2664	14.025	156	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	N-3:C-4:	C(CH3)3(NN)	C(CCCN)(H)3	N(NC[5a]O)(CC3)	C(CH3)3(NN)	C(CCCN)(H)3	N(NC[5a]O)(CC3)	108.2460	3.831	3	108.2460	14.674	3	108.2460	14.674	3	109.2164	14.027	160	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:1:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:H-1:	C(CH3)3(NH)	C(CCCN)(H)3	N(CC3)(H)	C(CH3)3(NH)	C(CCCN)(H)3	N(CC3)(H)	109.2567	1.766	3	109.2567	3.119	3	109.2567	3.119	3	109.2567	3.119	3	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CCHH)(CH3)2(NC)	C(CCCN)(H)3	N(CC3)(CRu)	C(CCHH)(CH3)2(NC)	C(CCCN)(H)3	N(CC3)(CRu)	106.9737	0.777	4	106.9737	0.604	4	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CAl)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CAl)	107.0059	0.268	8	107.0059	0.072	8	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CB)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CB)	106.9934	1.416	30	106.9934	2.005	30	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CC)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CC)	107.5080	1.879	18	107.5080	3.530	18	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCo)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCo)	107.6556	0.605	12	107.6556	0.367	12	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCr)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCr)	108.1465	1.498	6	108.1465	2.244	6	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCu)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCu)	107.4122	0.700	56	107.4122	0.490	56	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CFe)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CFe)	107.6795	1.027	100	107.6795	1.054	100	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CGa)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CGa)	106.7530	0.417	8	106.7530	0.174	8	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CGe)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CGe)	107.4237	3.497	3	107.4237	12.232	3	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CIr)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CIr)	107.4330	0.879	92	107.4330	0.773	92	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CMn)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CMn)	107.8449	0.844	27	107.8449	0.712	27	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CMo)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CMo)	107.5192	0.928	76	107.5192	0.862	76	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CN)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CN)	109.8320	2.118	3	109.8320	4.486	3	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CNi)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CNi)	107.7272	0.961	59	107.7272	0.923	59	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(COs)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(COs)	107.8765	1.973	21	107.8765	3.894	21	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CP)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CP)	107.0994	1.664	9	107.0994	2.769	9	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CPd)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CPd)	107.3129	0.943	103	107.3129	0.890	103	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CPt)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CPt)	107.2819	0.991	108	107.2819	0.982	108	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CRe)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CRe)	107.6212	1.582	48	107.6212	2.503	48	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CRh)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CRh)	107.2108	0.758	30	107.2108	0.575	30	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CRu)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CRu)	108.0487	1.276	161	108.0487	1.628	161	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CSi)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CSi)	107.7780	1.153	6	107.7780	1.330	6	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CTh)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CTh)	107.1137	0.923	3	107.1137	0.853	3	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CTi)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CTi)	107.4113	0.669	9	107.4113	0.448	9	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CU)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CU)	107.2962	0.700	12	107.2962	0.490	12	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CW)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CW)	107.7539	0.775	23	107.7539	0.600	23	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-2:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CZr)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CZr)	107.4153	0.713	20	107.4153	0.509	20	107.5615	1.279	1055	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(CH3)3(NN)	C(CCCN)(H)3	N(CC3)(NC)	C(CH3)3(NN)	C(CCCN)(H)3	N(CC3)(NC)	107.9673	4.603	6	107.9673	21.186	6	107.9673	21.186	6	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:S-2:	C(CH3)3(NS)	C(CCCN)(H)3	N(CC3)(SN)	C(CH3)3(NS)	C(CCCN)(H)3	N(CC3)(SN)	108.9778	3.593	12	108.9778	12.913	12	108.9778	12.913	12	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C[4]-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	C(CC[4]CN)(H)3	N(CC[4]CC)(NN)	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	C(CC[4]CN)(H)3	N(CC[4]CC)(NN)	108.1680	0.000	1	108.1680	0.000	1	108.1680	0.000	1	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C[5,6]-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	C(CC[5,6]CN)(H)3	N(CC[5,6]CC)(NN)	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	C(CC[5,6]CN)(H)3	N(CC[5,6]CC)(NN)	111.4980	0.000	1	111.4980	0.000	1	111.4980	0.000	1	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C[5]-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	C(CC[5]CN)(H)3	N(CC[5]CC)(NN)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	C(CC[5]CN)(H)3	N(CC[5]CC)(NN)	111.2890	0.000	1	111.2890	0.000	1	110.1873	9.907	3	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C[5]-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[5]C[5]2H)(CH3)2(NN)	C(CC[5]CN)(H)3	N(CC[5]CC)(NC[6a])	C(C[5]C[5]2H)(CH3)2(NN)	C(CC[5]CN)(H)3	N(CC[5]CC)(NC[6a])	109.6365	4.242	2	109.6365	17.994	2	110.1873	9.907	3	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:2:	C[6]-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:N-2:	C(C[6]C[6]2H)(CH3)2(NN)	C(CC[6]CN)(H)3	N(CC[6]CC)(NC[6a])	C(C[6]C[6]2H)(CH3)2(NN)	C(CC[6]CN)(H)3	N(CC[6]CC)(NC[6a])	108.7315	0.783	2	108.7315	0.613	2	108.7315	0.613	2	107.5931	1.557	1080	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:F-1:F-1:F-1:	C-4:S-3:	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(F)3	N(CC3)(SCO)	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(F)3	N(CC3)(SCO)	106.1450	0.000	1	106.1450	0.000	1	106.1450	0.000	1	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CBB)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CBB)	109.6460	7.195	3	109.6460	51.773	3	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCC)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCC)	109.5148	3.802	9	109.5148	14.457	9	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCH)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCH)	108.9850	4.090	24	108.9850	16.732	24	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCN)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCN)	109.7062	4.092	6	109.7062	16.744	6	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCO)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCO)	108.5078	1.904	6	108.5078	3.626	6	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCU)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CCU)	108.0530	3.828	3	108.0530	14.656	3	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CHN)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CHN)	109.2717	5.628	3	109.2717	31.670	3	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CHO)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CHO)	109.1640	5.081	3	109.1640	25.818	3	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CNO)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CNO)	108.9063	2.527	15	108.9063	6.387	15	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CNS)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CNS)	108.7687	2.938	3	108.7687	8.633	3	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CSS)	C(CH3)3(NC)	C(CCCN)(H)3	N(CC3)(CSS)	108.4170	2.566	3	108.4170	6.582	3	109.0271	12.758	78	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:S-3:	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(H)3	N(CC3)(SCO)	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(H)3	N(CC3)(SCO)	112.2070	0.000	1	112.2070	0.000	1	109.1513	12.801	22	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:S-3:	C(CH3)3(NS)	C(CCCN)(H)3	N(CC3)(SCN)	C(CH3)3(NS)	C(CCCN)(H)3	N(CC3)(SCN)	109.9630	4.421	3	109.9630	19.546	3	109.1513	12.801	22	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:S-3:	C(CH3)3(NS)	C(CCCN)(H)3	N(CC3)(SNN)	C(CH3)3(NS)	C(CCCN)(H)3	N(CC3)(SNN)	108.8462	3.571	18	108.8462	12.749	18	109.1513	12.801	22	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C[5]-4:C-4:C-4:N-2:	C-4:F-1:F-1:F-1:	C-4:C-3:	C(C[5]C[5]2H)(CF3)(CH3)(NC)	C(CC[5]CN)(F)3	N(CC[5]CC)(CC[6a]H)	C(C[5]C[5]2H)(CF3)(CH3)(NC)	C(CC[5]CN)(F)3	N(CC[5]CC)(CC[6a]H)	103.7720	0.522	2	103.7720	0.272	2	103.7720	0.272	2	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C[5]-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[5]C[5]2H)(CF3)(CH3)(NC)	C(CC[5]CN)(H)3	N(CC[5]CC)(CC[6a]H)	C(C[5]C[5]2H)(CF3)(CH3)(NC)	C(CC[5]CN)(H)3	N(CC[5]CC)(CC[6a]H)	116.0770	0.075	2	116.0770	0.006	2	116.0770	0.006	2	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:3:	C[6]-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-3:	C(C[6]C[6]2H)(CH3)2(NC)	C(CC[6]CN)(H)3	N(CC[6]CC)(CCN)	C(C[6]C[6]2H)(CH3)2(NC)	C(CC[6]CN)(H)3	N(CC[6]CC)(CCN)	106.7295	2.617	2	106.7295	6.849	2	106.7295	6.849	2	109.0163	13.511	107	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CHfNO)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CHfNO)(CC3)	109.2854	3.340	15	109.2854	11.159	15	109.4822	10.146	19	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CH3)3(NC)	C(CCCN)(H)3	N(CRu2C)(CC3)	C(CH3)3(NC)	C(CCCN)(H)3	N(CRu2C)(CC3)	110.5937	3.314	3	110.5937	10.986	3	109.4822	10.146	19	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:C-4:	C(CHHN)2(CH3)(NC)	C(CCCN)(H)3	N(CC[5]HH)(CC3)	C(CHHN)2(CH3)(NC)	C(CCCN)(H)3	N(CC[5]HH)(CC3)	109.0990	0.000	1	109.0990	0.000	1	109.4822	10.146	19	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	C-4:P-4:	C(CH3)3(NP)	C(CCCN)(H)3	N(CC3)(PN3)	C(CH3)3(NP)	C(CCCN)(H)3	N(CC3)(PN3)	110.1559	2.818	9	110.1559	7.941	9	110.1559	7.941	9	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	Nb-4:C-4:	C(CH3)3(NNb)	C(CCCN)(H)3	N(NbC3)(CC3)	C(CH3)3(NNb)	C(CCCN)(H)3	N(NbC3)(CC3)	107.7385	0.008	2	107.7385	0.000	2	108.2154	0.549	5	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	Nb-4:C-4:	C(CH3)3(NNb)	C(CCCN)(H)3	N(NbNNS)(CC3)	C(CH3)3(NNb)	C(CCCN)(H)3	N(NbNNS)(CC3)	108.5333	0.848	3	108.5333	0.719	3	108.2154	0.549	5	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)3(NP)	C(CCCN)(H)3	N(PC[6a]2C)(CC3)	C(CH3)3(NP)	C(CCCN)(H)3	N(PC[6a]2C)(CC3)	109.6253	4.264	3	109.6253	18.180	3	109.9412	7.269	14	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)3(NP)	C(CCCN)(H)3	N(PC[6a]3)(CC3)	C(CH3)3(NP)	C(CCCN)(H)3	N(PC[6a]3)(CC3)	110.4497	2.890	6	110.4497	8.352	6	109.9412	7.269	14	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	P-4:C-4:	C(CH3)3(NP)	C(CCCN)(H)3	N(PNNO)(CC3)	C(CH3)3(NP)	C(CCCN)(H)3	N(PNNO)(CC3)	109.5206	1.847	5	109.5206	3.411	5	109.9412	7.269	14	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(CCHH)(CH3)2(NS)	C(CCCN)(H)3	N(SC[6a]2N)(CC3)	C(CCHH)(CH3)2(NS)	C(CCCN)(H)3	N(SC[6a]2N)(CC3)	110.1310	0.976	2	110.1310	0.952	2	109.7514	17.515	22	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(CCHH)(CH3)2(NS)	C(CCCN)(H)3	N(SC[6a]CN)(CC3)	C(CCHH)(CH3)2(NS)	C(CCCN)(H)3	N(SC[6a]CN)(CC3)	108.8150	6.416	2	108.8150	41.169	2	109.7514	17.515	22	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	S-4:C-4:	C(CH3)3(NS)	C(CCCN)(H)3	N(SCNN)(CC3)	C(CH3)3(NS)	C(CCCN)(H)3	N(SCNN)(CC3)	109.8133	4.363	18	109.8133	19.034	18	109.7514	17.515	22	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:1:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:H-1:H-1:H-1:	Si-4:C-4:	C(CH3)3(NSi)	C(CCCN)(H)3	N(SiC3)(CC3)	C(CH3)3(NSi)	C(CCCN)(H)3	N(SiC3)(CC3)	109.1553	0.503	3	109.1553	0.253	3	109.1553	0.253	3	109.6363	10.231	72	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:2:1:1:	4:2:	C[5]-4:C-4:C-4:N-2:	C-4:O-2:H-1:H-1:	C-4:N-2:	C(C[5]C[5]O[5]H)(CHHO)2(NN)	C(CC[5]CN)(OC)(H)2	N(CC[5]CC)(NN)	C(C[5]C[5]O[5]H)(CHHO)2(NN)	C(CC[5]CN)(OC)(H)2	N(CC[5]CC)(NN)	110.7910	0.000	1	110.7910	0.000	1	108.8665	7.407	2	108.8665	7.407	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:2:1:1:	4:2:	C[5]-4:C-4:C-4:N-2:	C-4:O-2:H-1:H-1:	C-4:N-2:	C(C[5]C[5]O[5]H)(CHHO)2(NN)	C(CC[5]CN)(OH)(H)2	N(CC[5]CC)(NN)	C(C[5]C[5]O[5]H)(CHHO)2(NN)	C(CC[5]CN)(OH)(H)2	N(CC[5]CC)(NN)	106.9420	0.000	1	106.9420	0.000	1	108.8665	7.407	2	108.8665	7.407	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:3:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:N-3:H-1:H-1:	C-4:C-4:	C(CHHN)2(CH3)(NC)	C(CCCN)(NCH)(H)2	N(CC[5]HH)(CC3)	C(CHHN)2(CH3)(NC)	C(CCCN)(NCH)(H)2	N(CC[5]HH)(CC3)	109.9665	4.567	2	109.9665	20.859	2	109.9665	20.859	2	109.9665	20.859	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:1:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-3:C-4:	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(CH3)(H)2	N(CC[6a]H)(CC3)	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(CH3)(H)2	N(CC[6a]H)(CC3)	114.8820	0.000	1	114.8820	0.000	1	114.8820	0.000	1	114.8820	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:1:1:	4:2:	C-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:C-2:	C(CCHH)(CH3)2(NC)	C(CCCN)(CC3)(H)2	N(CC3)(CRu)	C(CCHH)(CH3)2(NC)	C(CCCN)(CC3)(H)2	N(CC3)(CRu)	108.8375	1.999	2	108.8375	3.996	2	108.8375	3.996	2	108.5297	5.209	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:1:1:	4:2:	C[4]-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	C(CC[3]HH)(CC[4]CN)(H)2	N(CC[4]CC)(NN)	C(C[4]C[4]2H)(CCHH)(CH3)(NN)	C(CC[3]HH)(CC[4]CN)(H)2	N(CC[4]CC)(NN)	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	108.5297	5.209	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:1:1:	4:2:	C[5,6]-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	C(CC[5,6]CN)(CF3)(H)2	N(CC[5,6]CC)(NN)	C(C[5,6]C[5,6]2H)(CCHH)(CH3)(NN)	C(CC[5,6]CN)(CF3)(H)2	N(CC[5,6]CC)(NN)	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	108.5297	5.209	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:1:1:	4:2:	C[5]-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	C(CC[5]CN)(CF3)(H)2	N(CC[5]CC)(NN)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(NN)	C(CC[5]CN)(CF3)(H)2	N(CC[5]CC)(NN)	105.6970	0.000	1	105.6970	0.000	1	105.6970	0.000	1	108.5297	5.209	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:1:1:	4:2:	C[6]-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	C-4:N-2:	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C(CC[6]CN)(CF3)(H)2	N(CC[6]CC)(NN)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C(CC[6]CN)(CF3)(H)2	N(CC[6]CC)(NN)	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	108.5297	5.209	6	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(CH3)2(NS)	C(CCCN)(CC3)(H)2	N(SC[6a]2N)(CC3)	C(CCHH)(CH3)2(NS)	C(CCCN)(CC3)(H)2	N(SC[6a]2N)(CC3)	100.8920	0.000	1	100.8920	0.000	1	105.9815	51.806	2	105.9815	51.806	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:1:1:	4:4:	C-4:C-4:C-4:N-2:	C-4:C-4:H-1:H-1:	S-4:C-4:	C(CCHH)(CH3)2(NS)	C(CCCN)(CC3)(H)2	N(SC[6a]CN)(CC3)	C(CCHH)(CH3)2(NS)	C(CCCN)(CC3)(H)2	N(SC[6a]CN)(CC3)	111.0710	0.000	1	111.0710	0.000	1	105.9815	51.806	2	105.9815	51.806	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:2:1:	4:2:	C[6]-4:C-4:C-4:N-2:	C-4:C-4:O-2:H-1:	C-4:N-2:	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C(CC[6]CN)(CCHH)(OC)(H)	N(CC[6]CC)(NN)	C(C[6]C[6]O[6]H)(CCHH)(CCHO)(NN)	C(CC[6]CN)(CCHH)(OC)(H)	N(CC[6]CC)(NN)	100.7850	0.000	1	100.7850	0.000	1	100.7850	0.000	1	100.7850	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:3:1:	4:3:	C-4:C-4:C-4:N-2:	C-4:C-4:C-3:H-1:	C-4:S-3:	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(CHHO)(CCH)(H)	N(CC3)(SCO)	C(CCCH)(CF3)(CH3)(NS)	C(CCCN)(CHHO)(CCH)(H)	N(CC3)(SCO)	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	111.1550	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:4:1:	3:4:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:H-1:	C-3:C-4:	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(CCHH)(CH3)(H)	N(CC[6a]H)(CC3)	C(CCCH)(CCHH)(CF3)(NC)	C(CCCN)(CCHH)(CH3)(H)	N(CC[6a]H)(CC3)	106.7400	0.000	1	106.7400	0.000	1	106.7400	0.000	1	106.7400	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:4:2:	3:4:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:N-2:	C-3:C-4:	C(CCCN)(CH3)2(NC)	C(CCCN)(CH3)2(NC)	N(CC[6]O)(CC3)	C(CCCN)(CH3)2(NC)	C(CCCN)(CH3)2(NC)	N(CC[6]O)(CC3)	105.6190	0.000	1	105.6190	0.000	1	107.1510	4.694	2	107.1510	4.694	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:4:2:	3:4:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:N-2:	C-3:C-4:	C(CCCN)(CH3)2(NC)	C(CCCN)(CH3)2(NC)	N(CC[6a]O)(CC3)	C(CCCN)(CH3)2(NC)	C(CCCN)(CH3)2(NC)	N(CC[6a]O)(CC3)	108.6830	0.000	1	108.6830	0.000	1	107.1510	4.694	2	107.1510	4.694	2	109.1459	6.621	3642	109.1459	6.621	3642
490	490	941	0:SP3_SP2_SP3	C	C	N	4:4:4:2:	4:4:4:3:	3:4:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:N-3:	C-3:C-4:	C(CCCN)(CH3)2(NC)	C(CCCN)(CH3)2(NCH)	N(CC[6]O)(CC3)	C(CCCN)(CH3)2(NC)	C(CCCN)(CH3)2(NCH)	N(CC[6]O)(CC3)	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	109.1459	6.621	3642	109.1459	6.621	3642
490	490	942	0:SP3_SP-NON_SP3	C	C	Ga[6,6]	3:4:1:1:	4:1:1:1:	4:4:4:	Ga[6,6]-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:	C(Ga[6,6]C[3x6]2)(CH3)(H)2	C(CGa[6,6]HH)(H)3	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH)	C(Ga[6,6]C[3x6]2)(CH3)(H)2	C(CGa[6,6]HH)(H)3	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH){6|C<4>}	115.0027	1.731	6	115.0027	2.997	6	115.0027	2.997	6	115.0027	2.997	6	115.0027	2.997	6	115.0027	2.997	6
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[3x6]	4:4:4:4:	4:1:1:1:	4:2:2:4:	Ga[3x6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6,6]-4:H[6,6]-2:H[6,6]-2:C-4:	C(Ga[3x6]C[6,6]H[6,6]2)(CH3)3	C(CGa[3x6]CC)(H)3	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3)	C(Ga[3x6]C[6,6]H[6,6]2)(CH3)3	C(CGa[3x6]CC)(H)3	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3){1|C<4>,2|H<2>}	110.2052	2.527	12	110.2052	6.383	12	110.2052	6.383	12	110.2052	6.383	12	110.2052	6.383	12	111.6230	14.113	62
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[6,6]	4:4:4:1:	4:1:1:1:	4:2:4:4:	Ga[6,6]-4:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	C(CGa[6,6]CH)(H)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	C(CGa[6,6]CH)(H)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	112.5513	4.230	16	112.5513	17.890	16	112.5513	17.890	16	112.5513	17.890	16	112.5513	17.890	16	111.6230	14.113	62
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[6]	4:4:1:1:	4:1:1:1:	3:3:3:4:	Ga[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:In-3:C-4:	C(Ga[6]N[6]2In)(CH3)(H)2	C(CGa[6]HH)(H)3	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH)	C(Ga[6]N[6]2In)(CH3)(H)2	C(CGa[6]HH)(H)3	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH){2|C<4>,5|C<3>}	115.6775	4.675	2	115.6775	21.853	2	115.6775	21.853	2	115.6775	21.853	2	111.6866	14.676	34	111.6230	14.113	62
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[6]	4:4:1:1:	4:1:1:1:	3:3:4:4:	Ga[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:C-4:	C(Ga[6]N[6]2C)(CH3)(H)2	C(CGa[6]HH)(H)3	Ga[6](N[6]C[6a]C[6])2(CCHH)2	C(Ga[6]N[6]2C)(CH3)(H)2	C(CGa[6]HH)(H)3	Ga[6](N[6]C[6a]C[6])2(CCHH)2{2|C<4>,5|C<3>}	114.5400	4.292	2	114.5400	18.422	2	114.5400	18.422	2	116.1917	17.395	3	111.6866	14.676	34	111.6230	14.113	62
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[6]	4:4:1:1:	4:1:1:1:	3:3:4:4:	Ga[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:In-4:C-4:	C(Ga[6]N[6]2In)(CH3)(H)2	C(CGa[6]HH)(H)3	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH)	C(Ga[6]N[6]2In)(CH3)(H)2	C(CGa[6]HH)(H)3	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH){2|C<4>,5|C<3>}	119.4950	0.000	1	119.4950	0.000	1	119.4950	0.000	1	116.1917	17.395	3	111.6866	14.676	34	111.6230	14.113	62
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[6]	4:4:1:1:	4:1:1:1:	4:4:4:4:	Ga[6]-4:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[6,6]-4:N[6,6]-4:C-4:C-4:	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	C(CGa[6]HH)(H)3	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	C(CGa[6]HH)(H)3	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	115.6790	2.841	2	115.6790	8.072	2	115.6790	8.072	2	115.6790	8.072	2	111.6866	14.676	34	111.6230	14.113	62
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[6]	4:4:4:4:	4:1:1:1:	3:2:4:4:	Ga[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:S[6]-2:C-4:C-4:	C(Ga[6]C[6]S[6]C)(CH3)3	C(CGa[6]CC)(H)3	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2	C(Ga[6]C[6]S[6]C)(CH3)3	C(CGa[6]CC)(H)3	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2{1|C<2>,3|N<3>}	110.3713	1.035	6	110.3713	1.071	6	110.3713	1.071	6	110.3713	1.071	6	111.6866	14.676	34	111.6230	14.113	62
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[6]	4:4:4:4:	4:1:1:1:	3:3:4:1:	Ga[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:N[6]-3:C-4:Cl-1:	C(Ga[6]N[6]2Cl)(CH3)3	C(CGa[6]CC)(H)3	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl)	C(Ga[6]N[6]2Cl)(CH3)3	C(CGa[6]CC)(H)3	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl){2|C<4>,5|C<3>}	110.3217	3.332	3	110.3217	11.103	3	110.3217	11.103	3	110.3217	11.103	3	111.6866	14.676	34	111.6230	14.113	62
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[6]	4:4:4:4:	4:1:1:1:	3:3:4:4:	Ga[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-3:N[6]-3:C-4:C-4:	C(Ga[6]C[6]N[6]C)(CH3)3	C(CGa[6]CC)(H)3	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2	C(Ga[6]C[6]N[6]C)(CH3)3	C(CGa[6]CC)(H)3	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2{1|Ga<4>,1|C<4>,1|H<1>}	110.5735	3.152	6	110.5735	9.936	6	110.5735	9.936	6	110.5735	9.936	6	111.6866	14.676	34	111.6230	14.113	62
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[6]	4:4:4:4:	4:1:1:1:	4:2:4:4:	Ga[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	C(Ga[6]N[6]O[6]C)(CH3)3	C(CGa[6]CC)(H)3	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2	C(Ga[6]N[6]O[6]C)(CH3)3	C(CGa[6]CC)(H)3	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2{1|C<4>,4|H<1>}	110.7250	3.592	6	110.7250	12.902	6	110.7852	16.779	12	110.7852	16.779	12	111.6866	14.676	34	111.6230	14.113	62
490	490	943	0:SP3_SP-NON_SP3	C	C	Ga[6]	4:4:4:4:	4:1:1:1:	4:2:4:4:	Ga[6]-4:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-4:O[6]-2:C-4:C-4:	C(Ga[6]N[6]O[6]C)(CH3)3	C(CGa[6]CC)(H)3	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2	C(Ga[6]N[6]O[6]C)(CH3)3	C(CGa[6]CC)(H)3	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2{2|C<4>,2|H<1>}	110.8453	4.899	6	110.8453	24.002	6	110.7852	16.779	12	110.7852	16.779	12	111.6866	14.676	34	111.6230	14.113	62
490	490	944	0:SP3_SP-NON_SP3	C	C	I	3:4:1:1:	4:1:1:1:	4:	C-3:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6]O)(CH3)(H)(I)	C(CCHI)(H)3	I(CCCH)	C(CC[6]O)(CH3)(H)(I)	C(CCHI)(H)3	I(CCCH)	108.9060	0.273	2	108.9060	0.074	2	108.9060	0.074	2	108.9060	0.074	2	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:2:4:1:	4:	C-4:F-1:F-1:I-1:	C[6a]-3:O-2:C-4:H-1:	C-4:	C(CC[6a]HO)(F)2(I)	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	I(CCFF)	C(CC[6a]HO)(F)2(I)	C(C[6a]C[6a]2)(OC[6a])(CFFI)(H)	I(CCFF)	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:3:4:1:	4:	C-4:H-1:H-1:I-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(H)2(I)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	I(CCHH)	C(CC[6a]N[5a]H)(H)2(I)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CHHI)(H)	I(CCHH)	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-3:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CC[3]O)(CHHI)(H)2	I(CCHH)	C(CCHH)(H)2(I)	C(CC[3]O)(CHHI)(H)2	I(CCHH)	112.8160	0.000	1	112.8160	0.000	1	112.8160	0.000	1	111.0225	11.343	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	C[5a]-3:C-4:H-1:H-1:	C-4:	C(CC[5a]HH)(H)2(I)	C(C[5a]C[5a]2)(CHHI)(H)2	I(CCHH)	C(CC[5a]HH)(H)2(I)	C(C[5a]C[5a]2)(CHHI)(H)2	I(CCHH)	105.9260	0.000	1	105.9260	0.000	1	105.9260	0.000	1	111.0225	11.343	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	C[6]-3:C-4:H-1:H-1:	C-4:	C(CC[6]HH)(H)2(I)	C(C[6]C[6]2)(CHHI)(H)2	I(CCHH)	C(CC[6]HH)(H)2(I)	C(C[6]C[6]2)(CHHI)(H)2	I(CCHH)	114.4660	0.000	1	114.4660	0.000	1	114.4660	0.000	1	111.0225	11.343	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	N[5]-3:C-4:H-1:H-1:	C-4:	C(CN[5]HH)(H)2(I)	C(N[5]C[5]2)(CHHI)(H)2	I(CCHH)	C(CN[5]HH)(H)2(I)	C(N[5]C[5]2)(CHHI)(H)2	I(CCHH)	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	111.0225	11.343	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)2(I)	C(N[5a]C[5a,6a]2)(CHHI)(H)2	I(CCHH)	C(CN[5a]HH)(H)2(I)	C(N[5a]C[5a,6a]2)(CHHI)(H)2	I(CCHH)	113.2410	0.000	1	113.2410	0.000	1	110.5445	14.542	2	111.0225	11.343	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:4:1:1:	4:	C-4:H-1:H-1:I-1:	N[5a]-3:C-4:H-1:H-1:	C-4:	C(CN[5a]HH)(H)2(I)	C(N[5a]C[5a]2)(CHHI)(H)2	I(CCHH)	C(CN[5a]HH)(H)2(I)	C(N[5a]C[5a]2)(CHHI)(H)2	I(CCHH)	107.8480	0.000	1	107.8480	0.000	1	110.5445	14.542	2	111.0225	11.343	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:4:2:1:	4:	C-4:F-1:F-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(F)2(I)	C(C[6a]C[6a]2)(CFFI)(OH)(H)	I(CCFF)	C(CC[6a]HO)(F)2(I)	C(C[6a]C[6a]2)(CFFI)(OH)(H)	I(CCFF)	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	114.4197	1.214	3	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:4:2:1:	4:	C-4:H-1:H-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(H)2(I)	C(C[6a]C[6a]2)(CHHI)(OH)(H)	I(CCHH)	C(CC[6a]HO)(H)2(I)	C(C[6a]C[6a]2)(CHHI)(OH)(H)	I(CCHH)	113.8030	0.383	2	113.8030	0.147	2	113.8030	0.147	2	114.4197	1.214	3	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	3:4:4:1:	4:	C-4:H-1:H-1:I-1:	C[6a]-3:C-4:C-4:H-1:	C-4:	C(CC[6a]CH)(H)2(I)	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	I(CCHH)	C(CC[6a]CH)(H)2(I)	C(C[6a]C[6a]2)(CCHH)(CHHI)(H)	I(CCHH)	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	113.4720	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:1:1:1:	4:	C-4:F-1:F-1:I-1:	C-4:F-1:F-1:I-1:	C-4:	C(CFFI)(F)2(I)	C(CFFI)(F)2(I)	I(CCFF)	C(CFFI)(F)2(I)	C(CFFI)(F)2(I)	I(CCFF)	113.2753	0.522	15	113.2753	0.273	15	113.2753	0.273	15	112.8903	0.978	19	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:F-1:F-1:F-1:	C-4:	C(CF3)(H)2(I)	C(CHHI)(F)3	I(CCHH)	C(CF3)(H)2(I)	C(CHHI)(F)3	I(CCHH)	112.3230	0.054	2	112.3230	0.003	2	112.3230	0.003	2	112.8903	0.978	19	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:1:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(CH3)(H)2(I)	C(CHHI)(H)3	I(CCHH)	C(CH3)(H)2(I)	C(CHHI)(H)3	I(CCHH)	110.5700	0.390	2	110.5700	0.152	2	110.5700	0.152	2	112.8903	0.978	19	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:2:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:O-2:H-1:H-1:	C-4:	C(CHHO)(H)2(I)	C(CHHI)(OC)(H)2	I(CCHH)	C(CHHO)(H)2(I)	C(CHHI)(OC)(H)2	I(CCHH)	110.5233	2.102	3	110.5233	4.417	3	110.5233	4.417	3	110.5233	4.417	3	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:3:1:1:	4:	C-4:H-1:I-1:I-1:	C-4:C-3:H-1:H-1:	C-4:	C(CCHH)(H)(I)2	C(CHII)(COO)(H)2	I(CCHI)	C(CCHH)(H)(I)2	C(CHII)(COO)(H)2	I(CCHI)	110.4555	0.274	2	110.4555	0.075	2	110.4555	0.075	2	110.4555	0.075	2	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:3:3:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(H)2(I)	C(CHHI)(COO)(NCH)(H)	I(CCHH)	C(CCHN)(H)2(I)	C(CHHI)(COO)(NCH)(H)	I(CCHH)	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:3:4:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-3:C-4:H-1:	C-4:	C(CCCH)(H)2(I)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	I(CCHH)	C(CCCH)(H)2(I)	C(CC[6a]HO)(CN[5]O)(CHHI)(H)	I(CCHH)	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	111.7820	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:3:4:2:	4:	C-4:H-1:H-1:I-1:	C[6]-4:C[6a]-3:C-4:O-2:	C-4:	C(CC[6a]C[6]O)(H)2(I)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	I(CCHH)	C(CC[6a]C[6]O)(H)2(I)	C(C[6]C[3x6]O[6]H)(C[6a]C[6a]2)(CHHI)(OC)	I(CCHH)	115.3340	0.000	1	115.3340	0.000	1	115.3340	0.000	1	115.3340	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:I-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(F)2(I)	C(CCFF)(CFFI)(F)2	I(CCFF)	C(CCFF)(F)2(I)	C(CCFF)(CFFI)(F)2	I(CCFF)	112.8257	1.318	39	112.8257	1.737	39	112.7920	1.738	40	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:F-1:F-1:I-1:	C-4:C-4:F-1:F-1:	C-4:	C(CCFF)(F)2(I)	C(CFFI)(CF3)(F)2	I(CCFF)	C(CCFF)(F)2(I)	C(CFFI)(CF3)(F)2	I(CCFF)	111.4780	0.000	1	111.4780	0.000	1	112.7920	1.738	40	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CCHH)(CHHI)(H)2	I(CCHH)	C(CCHH)(H)2(I)	C(CCHH)(CHHI)(H)2	I(CCHH)	112.2601	2.937	9	112.2601	8.624	9	112.0268	5.578	20	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CC[6]CH)(CHHI)(H)2	I(CCHH)	C(CCHH)(H)2(I)	C(CC[6]CH)(CHHI)(H)2	I(CCHH)	112.7820	0.000	1	112.7820	0.000	1	112.0268	5.578	20	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CHHI)(CHHN)(H)2	I(CCHH)	C(CCHH)(H)2(I)	C(CHHI)(CHHN)(H)2	I(CCHH)	111.9567	1.574	3	111.9567	2.477	3	112.0268	5.578	20	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CHHI)(CHHW)(H)2	I(CCHH)	C(CCHH)(H)2(I)	C(CHHI)(CHHW)(H)2	I(CCHH)	111.4860	0.000	1	111.4860	0.000	1	112.0268	5.578	20	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CN[5]HH)(CHHI)(H)2	I(CCHH)	C(CCHH)(H)2(I)	C(CN[5]HH)(CHHI)(H)2	I(CCHH)	112.0370	0.000	1	112.0370	0.000	1	112.0268	5.578	20	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CN[6]HH)(CHHI)(H)2	I(CCHH)	C(CCHH)(H)2(I)	C(CN[6]HH)(CHHI)(H)2	I(CCHH)	107.0830	0.000	1	107.0830	0.000	1	112.0268	5.578	20	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(H)2(I)	C(CSiHH)(CHHI)(H)2	I(CCHH)	C(CCHH)(H)2(I)	C(CSiHH)(CHHI)(H)2	I(CCHH)	112.7345	1.186	4	112.7345	1.407	4	112.0268	5.578	20	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C-4:N-4:H-1:H-1:	C-4:	C(CHHN)(H)2(I)	C(CHHI)(NH3)(H)2	I(CCHH)	C(CHHN)(H)2(I)	C(CHHI)(NH3)(H)2	I(CCHH)	110.5250	0.518	2	110.5250	0.268	2	110.5250	0.268	2	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:1:1:	4:	C-4:H-1:H-1:I-1:	C[5]-4:C-4:H-1:H-1:	C-4:	C(CC[5]HH)(H)2(I)	C(C[5]C[5]2H)(CHHI)(H)2	I(CCHH)	C(CC[5]HH)(H)2(I)	C(C[5]C[5]2H)(CHHI)(H)2	I(CCHH)	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	112.4729	3.059	63	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:2:1:	4:	C-4:H-1:H-1:I-1:	C[5]-4:C-4:O-2:H-1:	C-4:	C(CC[5]HO)(H)2(I)	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	I(CCHH)	C(CC[5]HO)(H)2(I)	C(C[5]C[5]N[5]H)(CHHI)(OH)(H)	I(CCHH)	112.9950	3.386	2	112.9950	11.462	2	112.9950	11.462	2	112.9950	11.462	2	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:1:1:1:	4:4:4:1:	4:	C-4:H-1:H-1:I-1:	C[5]-4:C-4:C-4:H-1:	C-4:	C(CC[5]CH)(H)2(I)	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	I(CCHH)	C(CC[5]CH)(H)2(I)	C(C[5]C[5,6]C[5]H)(CHHI)(CH3)(H)	I(CCHH)	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1	115.2100	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	I(CCCH)	C(CC[6a]HO)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(OC)(H)	I(CCCH)	108.7426	1.610	7	108.7426	2.592	7	109.1432	3.506	8	109.1432	3.506	8	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:3:1:1:	3:4:2:1:	4:	C-4:C-3:H-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(CC[6a]HO)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(OH)(H)	I(CCCH)	C(CC[6a]HO)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(OH)(H)	I(CCCH)	111.9480	0.000	1	111.9480	0.000	1	109.1432	3.506	8	109.1432	3.506	8	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:3:1:1:	3:4:3:1:	4:	C-4:C-3:H-1:I-1:	C[6a]-3:C-4:C-3:H-1:	C-4:	C(CC[6a]CH)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(CCH)(H)	I(CCCH)	C(CC[6a]CH)(COO)(H)(I)	C(C[6a]C[6a]2)(CCHI)(CCH)(H)	I(CCCH)	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:3:1:1:	4:3:2:1:	4:	C-4:C-3:H-1:I-1:	C-4:N-3:O-2:H-1:	C-4:	C(CHNO)(COO)(H)(I)	C(CCHI)(NCS)(OC)(H)	I(CCCH)	C(CHNO)(COO)(H)(I)	C(CCHI)(NCS)(OC)(H)	I(CCCH)	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	111.1180	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:3:1:1:	4:4:1:1:	4:	C-4:N-3:I-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(NOO)(I)2	C(CC[6a]HH)(CIIN)(H)2	I(CCIN)	C(CCHH)(NOO)(I)2	C(CC[6a]HH)(CIIN)(H)2	I(CCIN)	110.8640	2.010	2	110.8640	4.038	2	110.8640	4.038	2	110.8640	4.038	2	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:I-1:	C[6a]-3:N[5a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CH3)(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	I(CCCH)	C(CC[6a]N[5a]H)(CH3)(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CCHI)(H)	I(CCCH)	107.0200	0.000	1	107.0200	0.000	1	107.0200	0.000	1	108.0960	2.316	2	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	3:3:4:1:	4:	C-4:C-4:H-1:I-1:	N[5a]-3:C[6a]-3:C-4:H-1:	C-4:	C(CC[6a]N[5a]H)(CHHO)(H)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	I(CCCH)	C(CC[6a]N[5a]H)(CHHO)(H)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCHI)(H)	I(CCCH)	109.1720	0.000	1	109.1720	0.000	1	109.1720	0.000	1	108.0960	2.316	2	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	3:4:1:1:	4:	B[5,5]-4:C-4:H-1:I-1:	C[6a]-3:C-4:F-1:H-1:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	I(CB[5,5]CH)	C(B[5,5]N[5,5]O[5]2)(CC[6a]FH)(H)(I)	C(C[6a]C[6a]2)(CB[5,5]HI)(F)(H)	I(CB[5,5]CH)	108.2375	2.423	2	108.2375	5.872	2	108.2375	5.872	2	109.2732	2.611	5	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:I-1:	C[6a]-3:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)(I)	C(C[6a]C[6a]2)(CCHI)(H)2	I(CCCH)	C(CC[6a]HH)(CCHH)(H)(I)	C(C[6a]C[6a]2)(CCHI)(H)2	I(CCCH)	109.1790	0.000	1	109.1790	0.000	1	109.1790	0.000	1	109.2732	2.611	5	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:I-1:	N-3:C-4:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)(I)	C(NC[6a]S)(CCHI)(H)2	I(CCCH)	C(CHHN)(CH3)(H)(I)	C(NC[6a]S)(CCHI)(H)2	I(CCCH)	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	109.2732	2.611	5	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	3:4:1:1:	4:	C-4:C-4:H-1:I-1:	N[4]-3:C-4:H-1:H-1:	C-4:	C(CN[4]HH)(CHHO)(H)(I)	C(N[4]C[4]2)(CCHI)(H)2	I(CCCH)	C(CN[4]HH)(CHHO)(H)(I)	C(N[4]C[4]2)(CCHI)(H)2	I(CCCH)	110.5470	0.000	1	110.5470	0.000	1	110.5470	0.000	1	109.2732	2.611	5	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	3:4:2:1:	4:	B[5,5]-4:C-4:H-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	I(CB[5,5]CH)	C(B[5,5]N[5,5]O[5]2)(CC[6a]HO)(H)(I)	C(C[6a]C[6a]2)(CB[5,5]HI)(OH)(H)	I(CB[5,5]CH)	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	108.0410	0.923	3	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	3:4:2:1:	4:	C-4:C-4:H-1:I-1:	N[6a]-3:C-4:O-2:H-1:	C-4:	C(CN[6a]HO)(CHHN)(H)(I)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	I(CCCH)	C(CN[6a]HO)(CHHN)(H)(I)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	I(CCCH)	108.4920	0.000	1	108.4920	0.000	1	108.4920	0.000	1	108.0410	0.923	3	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	3:4:2:1:	4:	C[6]-4:C-4:H-1:I-1:	C[6a]-3:C-4:O-2:H-1:	C-4:	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	I(CC[6]CH)	C(C[6]C[3x6]O[6]H)(CC[6a]HO)(H)(I)	C(C[6a]C[6a]2)(CC[6]HI)(OC)(H)	I(CC[6]CH)	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	108.0410	0.923	3	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(CC[6a]N[5a]H)(CH3)(H)(I)	C(CCHI)(H)3	I(CCCH)	C(CC[6a]N[5a]H)(CH3)(H)(I)	C(CCHI)(H)3	I(CCCH)	108.8980	0.000	1	108.8980	0.000	1	109.6190	1.040	2	108.2262	4.019	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:1:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(CHHN)(CH3)(H)(I)	C(CCHI)(H)3	I(CCCH)	C(CHHN)(CH3)(H)(I)	C(CCHI)(H)3	I(CCCH)	110.3400	0.000	1	110.3400	0.000	1	109.6190	1.040	2	108.2262	4.019	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	C(CC[5]HI)(H)3	I(CC[5]CH)	C(C[5]C[5,6]C[5]H)(CH3)(H)(I)	C(CC[5]HI)(H)3	I(CC[5]CH)	106.3015	2.368	2	106.3015	5.608	2	107.5297	4.412	4	108.2262	4.019	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]C)(CH3)(H)(I)	C(CC[5]HI)(H)3	I(CC[5]CH)	C(C[5]C[5]N[5]C)(CH3)(H)(I)	C(CC[5]HI)(H)3	I(CC[5]CH)	107.8650	0.000	1	107.8650	0.000	1	107.5297	4.412	4	108.2262	4.019	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:1:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CH3)(H)(I)	C(CC[5]HI)(H)3	I(CC[5]CH)	C(C[5]C[5]N[5]H)(CH3)(H)(I)	C(CC[5]HI)(H)3	I(CC[5]CH)	109.6510	0.000	1	109.6510	0.000	1	107.5297	4.412	4	108.2262	4.019	6	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:O-2:H-1:H-1:	C-4:	C(CC[6a]N[5a]H)(CHHO)(H)(I)	C(CCHI)(OH)(H)2	I(CCCH)	C(CC[6a]N[5a]H)(CHHO)(H)(I)	C(CCHI)(OH)(H)2	I(CCCH)	109.3340	0.000	1	109.3340	0.000	1	108.6325	0.984	2	108.6325	0.984	2	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:2:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:O-2:H-1:H-1:	C-4:	C(CN[4]HH)(CHHO)(H)(I)	C(CCHI)(OC)(H)2	I(CCCH)	C(CN[4]HH)(CHHO)(H)(I)	C(CCHI)(OC)(H)2	I(CCCH)	107.9310	0.000	1	107.9310	0.000	1	108.6325	0.984	2	108.6325	0.984	2	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:N-3:H-1:H-1:	C-4:	C(CHHN)2(H)(I)	C(CCHI)(NCS)(H)2	I(CCCH)	C(CHHN)2(H)(I)	C(CCHI)(NCS)(H)2	I(CCCH)	106.4124	0.546	8	106.4124	0.298	8	106.3332	0.317	9	106.4173	1.659	13	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:N-3:H-1:H-1:	C-4:	C(CN[6a]HO)(CHHN)(H)(I)	C(CCHI)(NCS)(H)2	I(CCCH)	C(CN[6a]HO)(CHHN)(H)(I)	C(CCHI)(NCS)(H)2	I(CCCH)	105.7000	0.000	1	105.7000	0.000	1	106.3332	0.317	9	106.4173	1.659	13	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:3:1:1:	4:	C-4:C-4:I-1:I-1:	C-4:N-3:H-1:H-1:	C-4:	C(CCHH)(CHHN)(I)2	C(CCII)(NCH)(H)2	I(CCCI)	C(CCHH)(CHHN)(I)2	C(CCII)(NCH)(H)2	I(CCCI)	108.4950	1.048	2	108.4950	1.098	2	108.4950	1.098	2	106.4173	1.659	13	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:N-3:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	C(CC[5]HI)(NC[6a]C)(H)2	I(CC[5]CH)	C(C[5]C[5]N[5]H)(CHHN)(H)(I)	C(CC[5]HI)(NC[6a]C)(H)2	I(CC[5]CH)	104.7180	1.342	2	104.7180	1.801	2	104.7180	1.801	2	106.4173	1.659	13	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:3:3:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-3:N-3:H-1:	C-4:	C(CCHN)(CCHO)(H)(I)	C(CCHI)(CNO)(NCH)(H)	I(CCCH)	C(CCHN)(CCHO)(H)(I)	C(CCHI)(CNO)(NCH)(H)	I(CCCH)	110.9740	0.000	1	110.9740	0.000	1	110.9740	0.000	1	110.9740	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CC3)(H)(I)	C(CCHI)(CCHS)(H)2	I(CCCH)	C(CCHH)(CC3)(H)(I)	C(CCHI)(CCHS)(H)2	I(CCCH)	107.3785	1.876	2	107.3785	3.519	2	109.1350	2.121	15	108.8736	2.566	20	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)(I)	C(CCCH)(CCHI)(H)2	I(CCCH)	C(CCHH)2(H)(I)	C(CCCH)(CCHI)(H)2	I(CCCH)	108.7865	0.001	2	108.7865	0.000	2	109.1350	2.121	15	108.8736	2.566	20	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	I(CCCH)	C(CCHH)2(H)(I)	C(CCHH)(CCHI)(H)2	I(CCCH)	109.4934	1.498	5	109.4934	2.245	5	109.1350	2.121	15	108.8736	2.566	20	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)(I)	C(CCHI)(CHHO)(H)2	I(CCCH)	C(CCHH)2(H)(I)	C(CCHI)(CHHO)(H)2	I(CCCH)	109.8383	0.927	3	109.8383	0.859	3	109.1350	2.121	15	108.8736	2.566	20	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)2(H)(I)	C(CC[5]HH)(CCHI)(H)2	I(CCCH)	C(CCHH)2(H)(I)	C(CC[5]HH)(CCHI)(H)2	I(CCCH)	110.3100	0.051	2	110.3100	0.003	2	109.1350	2.121	15	108.8736	2.566	20	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CC[6a]HH)(CCHH)(H)(I)	C(CCCH)(CCHI)(H)2	I(CCCH)	C(CC[6a]HH)(CCHH)(H)(I)	C(CCCH)(CCHI)(H)2	I(CCCH)	107.0930	0.000	1	107.0930	0.000	1	109.1350	2.121	15	108.8736	2.566	20	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:1:1:	4:	C-4:C-4:I-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(CCHH)(CHHN)(I)2	C(CCHH)(CCII)(H)2	I(CCCI)	C(CCHH)(CHHN)(I)2	C(CCHH)(CCII)(H)2	I(CCCI)	108.1685	0.026	2	108.1685	0.001	2	108.1685	0.001	2	108.8736	2.566	20	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]2H)(CCHH)(H)(I)	C(CC[5]HI)(CCHH)(H)2	I(CC[5]CH)	C(C[5]C[5]2H)(CCHH)(H)(I)	C(CC[5]HI)(CCHH)(H)2	I(CC[5]CH)	109.8580	0.000	1	109.8580	0.000	1	107.3755	12.326	2	108.8736	2.566	20	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	C(CC[5]HI)(CCHH)(H)2	I(CC[5]CH)	C(C[5]C[5]N[5]H)(CCHH)(H)(I)	C(CC[5]HI)(CCHH)(H)2	I(CC[5]CH)	104.8930	0.000	1	104.8930	0.000	1	107.3755	12.326	2	108.8736	2.566	20	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C-4:H-1:I-1:	C-4:C-4:H-1:H-1:	C-4:	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	C(CC[6]HI)(CCHH)(H)2	I(CC[6]CH)	C(C[6]C[6]O[6]H)(CCHH)(H)(I)	C(CC[6]HI)(CCHH)(H)2	I(CC[6]CH)	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	108.8736	2.566	20	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:2:1:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:O-2:H-1:	C-4:	C(CCHN)(CCHO)(H)(I)	C(CCHH)(CCHI)(OC)(H)	I(CCCH)	C(CCHN)(CCHO)(H)(I)	C(CCHH)(CCHI)(OC)(H)	I(CCCH)	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:4:4:	4:	C-4:C-4:H-1:I-1:	C-4:C-4:C-4:C-4:	C-4:	C(CCHH)(CC3)(H)(I)	C(CCHI)(CH3)3	I(CCCH)	C(CCHH)(CC3)(H)(I)	C(CCHI)(CH3)3	I(CCCH)	111.9830	0.150	2	111.9830	0.022	2	111.9830	0.022	2	112.2863	0.287	3	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C-4:H-1:I-1:	C-4:C-4:C-4:C-4:	C-4:	C(C[5]C[5]O[5]H)(CC3)(H)(I)	C(CC[5]HI)(CH3)3	I(CC[5]CH)	C(C[5]C[5]O[5]H)(CC3)(H)(I)	C(CC[5]HI)(CH3)3	I(CC[5]CH)	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	112.2863	0.287	3	110.8396	7.367	181	110.8396	7.367	181
490	490	944	0:SP3_SP-NON_SP3	C	C	I	4:4:4:1:	4:1:1:1:	4:	C[5]-4:C-4:C-4:I-1:	C-4:H-1:H-1:H-1:	C-4:	C(C[5]C[5]O[5]H)(CH3)2(I)	C(CC[5]CI)(H)3	I(CC[5]CC)	C(C[5]C[5]O[5]H)(CH3)2(I)	C(CC[5]CI)(H)3	I(CC[5]CC)	107.1648	0.563	6	107.1648	0.317	6	107.1648	0.317	6	107.1648	0.317	6	110.8396	7.367	181	110.8396	7.367	181
490	490	945	0:SP3_SP3_SP3	C	C	P	3:3:4:1:	3:3:4:1:	3:3:4:	P-3:P-3:C-4:H-1:	P-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)2(CHPP)(H)	C(PC[6a]2)2(CHPP)(H)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CHPP)(H)	C(PC[6a]2)2(CHPP)(H)	P(C[6a]C[6a]2)2(CCHP)	108.0045	1.010	2	108.0045	1.021	2	108.0045	1.021	2	108.0045	1.021	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:3:4:1:	3:4:1:1:	3:3:4:	P-3:P-3:C-4:H-1:	C-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)2(CCHH)(H)	C(CC[6a]O)(CHPP)(H)2	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CCHH)(H)	C(CC[6a]O)(CHPP)(H)2	P(C[6a]C[6a]2)2(CCHP)	108.7385	2.637	2	108.7385	6.953	2	108.7385	6.953	2	108.7385	6.953	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:3:4:1:	4:3:1:1:	3:3:4:	C[6a]-3:P-3:C-4:H-1:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	C(CC[6a]HP)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	C(CC[6a]HP)(PC[6a]2)(H)2	P(C[6a]C[6a]2)2(CC[6a]CH)	107.9717	0.899	3	107.9717	0.809	3	107.9717	0.809	3	111.6410	20.731	7	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:3:4:1:	4:3:1:1:	3:3:4:	P-3:P-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)2(CCHH)(H)	C(CHPP)(CNO)(H)2	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CCHH)(H)	C(CHPP)(CNO)(H)2	P(C[6a]C[6a]2)2(CCHP)	117.3230	1.512	2	117.3230	2.286	2	114.3930	17.361	4	111.6410	20.731	7	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:3:4:1:	4:3:1:1:	3:3:4:	P-3:P-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)2(CCHH)(H)	C(CHPP)(COO)(H)2	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CCHH)(H)	C(CHPP)(COO)(H)2	P(C[6a]C[6a]2)2(CCHP)	111.4630	3.932	2	111.4630	15.457	2	114.3930	17.361	4	111.6410	20.731	7	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:3:4:1:	4:3:4:1:	3:3:4:	C[6a]-3:P-3:C-4:H-1:	C-4:N-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C(CC[6a]HP)(NFeC)(CH3)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C(CC[6a]HP)(NFeC)(CH3)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)	111.7195	2.832	2	111.7195	8.020	2	111.7195	8.020	2	111.7195	8.020	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:3:4:1:	4:4:1:1:	3:3:4:	C[6]-3:P-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	P(C[6a]C[6a]2)2(CC[6]CH)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C(CC[6]HP)(CCHH)(H)2	P(C[6a]C[6a]2)2(CC[6]CH)	113.1170	2.216	2	113.1170	4.911	2	113.1170	4.911	2	113.1170	4.911	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	2:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	O-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHO)(H)2	C(OC[6a])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	115.7600	4.824	5	115.7600	23.267	5	115.7600	23.267	5	114.0711	15.787	10	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	2:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHS)(H)2	C(SB[5x3,5x5,20x6])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHS)(H)2	C(SB[5x3,5x5,20x6])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	113.8125	2.756	2	113.8125	7.593	2	112.3822	5.123	5	114.0711	15.787	10	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	2:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	S-2:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHS)(H)2	C(SC[6a])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHS)(H)2	C(SC[6a])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	111.4287	1.744	3	111.4287	3.041	3	112.3822	5.123	5	114.0711	15.787	10	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	3:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHN)(H)2	C(NC[5]Fe)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHN)(H)2	C(NC[5]Fe)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	110.2330	0.000	1	110.2330	0.000	1	109.9630	3.937	4	111.3137	5.485	20	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	3:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHN)(H)2	C(NC[6]C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHN)(H)2	C(NC[6]C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	108.5610	1.177	2	108.5610	1.384	2	109.9630	3.937	4	111.3137	5.485	20	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	3:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	N-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHN)(H)2	C(NC[6a]H)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHN)(H)2	C(NC[6a]H)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	112.4970	0.000	1	112.4970	0.000	1	109.9630	3.937	4	111.3137	5.485	20	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	3:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]2)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	111.7298	2.417	15	111.7298	5.843	15	111.7298	5.843	15	111.3137	5.485	20	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	3:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:P[5]-3:C-4:	C(PC[6a]P[5])(CHHP)(H)2	C(PC[6a]P[5])(CHHP)(H)2	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	C(PC[6a]P[5])(CHHP)(H)2	C(PC[6a]P[5])(CHHP)(H)2	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	111.3137	5.485	20	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	3:4:1:1:	3:4:1:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(PC[6a]H)(CHHP)(H)2	C(PC[6a]H)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(H)	C(PC[6a]H)(CHHP)(H)2	C(PC[6a]H)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(H)	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	113.5110	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	3:4:1:1:	3:4:3:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-3:	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CNN)	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CNN)	111.9490	1.413	2	111.9490	1.996	2	111.9490	1.996	2	111.9490	1.996	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	3:4:1:1:	3:4:4:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	112.8882	1.603	4	112.8882	2.570	4	112.7920	10.917	6	112.7920	10.917	6	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	3:4:1:1:	3:4:4:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	112.5995	6.838	2	112.5995	46.764	2	112.7920	10.917	6	112.7920	10.917	6	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:1:1:1:	3:3:4:	P-3:C-4:F-1:F-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CF3)(F)2	C(CFFP)(F)3	P(C[6a]C[6a]2)2(CCFF)	C(PC[6a]2)(CF3)(F)2	C(CFFP)(F)3	P(C[6a]C[6a]2)2(CCFF)	115.0590	0.000	1	115.0590	0.000	1	115.0590	0.000	1	115.0590	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:1:1:1:	3:4:4:	P-3:C-4:H-1:H-1:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:	C(PC[5a]C)(CH3)(H)2	C(CHHP)(H)3	P(C[5a]C[5a]N[5a])(CCHH)2	C(PC[5a]C)(CH3)(H)2	C(CHHP)(H)3	P(C[5a]C[5a]N[5a])(CCHH)2	112.3710	0.629	2	112.3710	0.396	2	112.3710	0.396	2	112.3710	0.396	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:2:1:1:	3:4:1:	P-3:C-4:H-1:H-1:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:H-1:	C(PC[6a]H)(CHHO)(H)2	C(CHHP)(OH)(H)2	P(C[6a]C[6a]2)(CCHH)(H)	C(PC[6a]H)(CHHO)(H)2	C(CHHP)(OH)(H)2	P(C[6a]C[6a]2)(CCHH)(H)	114.6250	0.000	1	114.6250	0.000	1	114.6250	0.000	1	114.6250	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:3:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCHH)(H)2	C(CHHP)(CBC)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHH)(H)2	C(CHHP)(CBC)(H)2	P(C[6a]C[6a]2)2(CCHH)	110.0620	0.000	1	110.0620	0.000	1	109.6093	0.162	3	110.6016	2.200	5	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:3:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCHH)(H)2	C(CHHP)(CCH)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHH)(H)2	C(CHHP)(CCH)(H)2	P(C[6a]C[6a]2)2(CCHH)	109.3830	0.130	2	109.3830	0.017	2	109.6093	0.162	3	110.6016	2.200	5	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:3:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHN)(H)2	C(CHHP)(NCH)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHN)(H)2	C(CHHP)(NCH)(H)2	P(C[6a]C[6a]2)2(CCHH)	112.0900	1.044	2	112.0900	1.089	2	112.0900	1.089	2	110.6016	2.200	5	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:3:1:1:	4:3:4:	P-3:C-4:H-1:H-1:	C-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:C-4:	C(PC[6a]C[5])(CCHH)(H)2	C(CHHP)(CHP)(H)2	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	C(PC[6a]C[5])(CCHH)(H)2	C(CHHP)(CHP)(H)2	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]2C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	107.7443	4.637	3	107.7443	21.500	3	108.8541	8.334	7	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]2N[6])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]2N[6])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	109.9490	0.000	1	109.9490	0.000	1	108.8541	8.334	7	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]N[6]C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CBHH)(H)2	C(BC[6a]N[6]C)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	109.5990	0.473	3	109.5990	0.224	3	108.8541	8.334	7	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[3]-3:C-4:	C(PC[6a]C[3])(CCHH)(H)2	C(CHHP)(CH3)(H)2	P(C[6a]C[6a]2)(C[3]C[3]2)(CCHH)	C(PC[6a]C[3])(CCHH)(H)2	C(CHHP)(CH3)(H)2	P(C[6a]C[6a]2)(C[3]C[3]2)(CCHH)	110.7180	0.156	2	110.7180	0.024	2	110.7180	0.024	2	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	110.8250	0.000	1	110.8250	0.000	1	112.4447	1.977	4	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHH)(H)2	C(CC[6a]HH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	111.8610	0.000	1	111.8610	0.000	1	112.4447	1.977	4	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCHH)(H)2	C(CFeHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHH)(H)2	C(CFeHH)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	114.0650	0.000	1	114.0650	0.000	1	112.4447	1.977	4	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHH)(H)2	C(CHHN)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	113.0280	0.000	1	113.0280	0.000	1	112.4447	1.977	4	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]2Mo)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	109.9260	0.000	1	109.9260	0.000	1	110.0030	1.896	5	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]FeC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C(PC[6a]FeC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	109.2580	0.000	1	109.2580	0.000	1	110.0030	1.896	5	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C(PPdCC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	109.4150	0.000	1	109.4150	0.000	1	110.0030	1.896	5	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:3:4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CHHP)(H)2	C(PPtCC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C(PPtCC)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	110.7080	2.384	2	110.7080	5.685	2	110.0030	1.896	5	110.1783	5.712	18	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:4:1:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:H-1:	C(PC[6a]H)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6a]C[6a]2)(CCHH)(H)	C(PC[6a]H)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6a]C[6a]2)(CCHH)(H)	112.0090	0.000	1	112.0090	0.000	1	112.0090	0.000	1	112.0090	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:4:2:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:O-2:	C(PC[6a]O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(OC)	C(PC[6a]O)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(OC)	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:4:4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CCHH)(H)2	C(CCHH)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	112.3378	1.595	6	112.3378	2.545	6	112.0312	2.622	10	113.4434	13.844	13	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:4:4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	111.5712	1.776	4	111.5712	3.153	4	112.0312	2.622	10	113.4434	13.844	13	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:4:4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]2Fe)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	112.0640	0.000	1	112.0640	0.000	1	118.1507	28.056	3	113.4434	13.844	13	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	3:4:4:	P-3:C-4:H-1:H-1:	P-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CHHP)(H)2	C(PNiCC)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]C)(CHHP)(H)2	C(PNiCC)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	121.1940	0.735	2	121.1940	0.541	2	118.1507	28.056	3	113.4434	13.844	13	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:1:1:	4:4:4:	P-3:C-4:H-1:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:	C(PC[6]C)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	C(PC[6]C)(CCHH)(H)2	C(CHHP)2(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	116.3500	0.000	1	116.3500	0.000	1	116.3500	0.000	1	116.3500	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:2:1:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCHO)(H)2	C(CCHO)(CHHP)(OC)(H)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHO)(H)2	C(CCHO)(CHHP)(OC)(H)	P(C[6a]C[6a]2)2(CCHH)	113.9410	0.288	2	113.9410	0.083	2	113.9410	0.083	2	113.9410	0.083	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:3:1:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCCH)(H)2	C(CC[6a]HO)(CHHP)(COO)(H)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCCH)(H)2	C(CC[6a]HO)(CHHP)(COO)(H)	P(C[6a]C[6a]2)2(CCHH)	110.5370	0.000	1	110.5370	0.000	1	110.5370	0.000	1	110.5370	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:4:1:	4:4:4:	P-3:C-4:H-1:H-1:	C-4:C-4:C-4:H-1:	C[5]-4:C-4:C-4:	C(PC[5]C)(CCCH)(H)2	C(CHHP)(CH3)2(H)	P(C[5]C[5]2Co)(CCHH)2	C(PC[5]C)(CCCH)(H)2	C(CHHP)(CH3)2(H)	P(C[5]C[5]2Co)(CCHH)2	114.9742	1.462	4	114.9742	2.137	4	114.9742	2.137	4	114.9742	2.137	4	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:4:2:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCCO)(H)2	C(CHHP)(CH3)2(OZr)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCCO)(H)2	C(CHHP)(CH3)2(OZr)	P(C[6a]C[6a]2)2(CCHH)	116.1650	0.000	1	116.1650	0.000	1	116.1650	0.000	1	116.1650	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:4:3:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CC3)(H)2	C(CC[6a]HN)(CHHP)(CH3)(CCH)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CC3)(H)2	C(CC[6a]HN)(CHHP)(CH3)(CCH)	P(C[6a]C[6a]2)2(CCHH)	116.2030	0.000	1	116.2030	0.000	1	116.2030	0.000	1	116.2030	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:1:1:	4:4:4:4:	3:3:4:	P-3:C-4:H-1:H-1:	C-4:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CC3)(H)2	C(CHHP)3(CH3)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CC3)(H)2	C(CHHP)3(CH3)	P(C[6a]C[6a]2)2(CCHH)	115.1132	1.938	5	115.1132	3.754	5	115.1132	3.754	5	115.1132	3.754	5	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:3:1:	3:4:3:1:	4:4:4:	C[6a]-3:C-4:P-3:H-1:	C[6a]-3:C-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	P(C[6]C[6]2H)2(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	P(C[6]C[6]2H)2(CC[6a]CH)	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:3:1:	3:4:4:4:	3:4:4:	C[6a]-3:C-4:P-3:H-1:	C[5]-3:C-4:C-4:C-4:	C[6a]-3:C-4:C-4:	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C(C[5]N[5]O[5])(CC[6a]HP)(CH3)2	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	113.4650	0.000	1	113.4650	0.000	1	113.4650	0.000	1	113.4650	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:3:1:	4:1:1:1:	3:4:3:	P-3:C-4:C-3:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-3:	C(PC[6]C)(CH3)(CHH)(H)	C(CCHP)(H)3	P(C[6]C[6]2)(CCCH)(CCC)	C(PC[6]C)(CH3)(CHH)(H)	C(CCHP)(H)3	P(C[6]C[6]2)(CCCH)(CCC)	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:3:4:	P-3:C-4:C-4:F-1:	C-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CF3)2(F)	C(CCFP)(F)3	P(C[6a]C[6a]2)2(CCCF)	C(PC[6a]2)(CF3)2(F)	C(CCFP)(F)3	P(C[6a]C[6a]2)2(CCCF)	110.5083	0.750	4	110.5083	0.562	4	110.5083	0.562	4	111.3571	22.153	20	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:3:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CBHH)(CH3)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)	108.9520	3.090	7	108.9520	9.549	7	111.5692	27.707	16	111.3571	22.153	20	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:3:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)2(CCCH)	115.7500	0.000	1	115.7500	0.000	1	111.5692	27.707	16	111.3571	22.153	20	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:3:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C(PC[6a]2)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	108.8055	1.184	2	108.8055	1.403	2	111.5692	27.707	16	111.3571	22.153	20	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:3:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])2(CCCH)	C(PC[6a]2)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])2(CCCH)	114.8472	6.508	6	114.8472	42.348	6	111.5692	27.707	16	111.3571	22.153	20	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-3:C-4:C-4:	C(PC[6]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6]C[6]2)(CCCH)2	C(PC[6]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6]C[6]2)(CCCH)2	111.5625	2.764	8	111.5625	7.642	8	111.5625	7.642	8	111.1978	9.912	338	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[5a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[5a,6a]C[6a])(CCCH)2	110.6608	2.685	8	110.6608	7.211	8	111.2149	10.065	314	111.1978	9.912	338	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6,6a]C[6a])(CCCH)2	111.2013	2.684	16	111.2013	7.205	16	111.2149	10.065	314	111.1978	9.912	338	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]2)(CCCH)2	109.2875	1.931	8	109.2875	3.730	8	111.2149	10.065	314	111.1978	9.912	338	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a,6a]C[6a])(CCCH)2	111.3139	2.971	111	111.3139	8.825	111	111.2149	10.065	314	111.1978	9.912	338	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]2)(CCCH)2	111.2904	3.372	163	111.2904	11.369	163	111.2149	10.065	314	111.1978	9.912	338	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]N[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(CCHP)(H)3	P(C[6a]C[6a]N[6a])(CCCH)2	110.8110	4.101	8	110.8110	16.818	8	111.2149	10.065	314	111.1978	9.912	338	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:	C(PN[5]C)(CH3)2(H)	C(CCHP)(H)3	P(N[5]C[5]2)(CCCH)2	C(PN[5]C)(CH3)2(H)	C(CCHP)(H)3	P(N[5]C[5]2)(CCCH)2	111.3978	4.548	4	111.3978	20.683	4	111.3978	20.683	4	111.1978	9.912	338	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:	C(PN[6]C)(CH3)2(H)	C(CCHP)(H)3	P(N[6]B[6,6]C[6])(CCCH)2	C(PN[6]C)(CH3)2(H)	C(CCHP)(H)3	P(N[6]B[6,6]C[6])(CCCH)2	110.1243	2.102	8	110.1243	4.418	8	110.1243	4.418	8	111.1978	9.912	338	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	Si[4]-3:C-4:C-4:	C(PSi[4]C)(CH3)2(H)	C(CCHP)(H)3	P(Si[4]N[4]2)(CCCH)2	C(PSi[4]C)(CH3)2(H)	C(CCHP)(H)3	P(Si[4]N[4]2)(CCCH)2	111.0780	3.304	4	111.0780	10.920	4	111.0780	10.920	4	111.1978	9.912	338	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(PC[5]C)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6]C[5]Ru)(CCCH)2	C(PC[5]C)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5,6]C[5]Ru)(CCCH)2	111.3332	4.777	4	111.3332	22.824	4	111.4269	11.673	31	111.4619	11.894	39	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(PC[5]C)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2Fe)(CCCH)2	C(PC[5]C)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2Fe)(CCCH)2	111.5574	3.761	15	111.5574	14.147	15	111.4269	11.673	31	111.4619	11.894	39	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(PC[5]C)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2Zr)(CCCH)2	C(PC[5]C)(CH3)2(H)	C(CCHP)(H)3	P(C[5]C[5]2Zr)(CCCH)2	111.2949	2.750	12	111.2949	7.560	12	111.4269	11.673	31	111.4619	11.894	39	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	P[5]-4:C-4:C-4:	C(PP[5]C)(CH3)2(H)	C(CCHP)(H)3	P(P[5]Ga[5,6]P[5]Co)(CCCH)2	C(PP[5]C)(CH3)2(H)	C(CCHP)(H)3	P(P[5]Ga[5,6]P[5]Co)(CCCH)2	111.5975	3.810	8	111.5975	14.515	8	111.5975	14.515	8	111.4619	11.894	39	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:1:1:1:	5:4:4:	P-3:C-4:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	C(CCHP)(H)3	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)2	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	C(CCHP)(H)3	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)2	111.8878	4.865	16	111.8878	23.672	16	111.8878	23.672	16	111.8878	23.672	16	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:3:4:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	103.9180	0.000	1	103.9180	0.000	1	107.1141	6.077	7	107.4819	6.291	8	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:3:4:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N[6])(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2N[6])(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	107.7080	0.000	1	107.7080	0.000	1	107.1141	6.077	7	107.4819	6.291	8	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:3:4:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2O)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]2O)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	108.3707	3.200	3	108.3707	10.237	3	107.1141	6.077	7	107.4819	6.291	8	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:3:4:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]C)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]C)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	106.5450	0.000	1	106.5450	0.000	1	107.1141	6.077	7	107.4819	6.291	8	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:3:4:	P-3:C-4:C-4:H-1:	B-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]H)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CBHH)(CH3)(H)	C(BC[6a]N[6]H)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	106.5160	0.000	1	106.5160	0.000	1	107.1141	6.077	7	107.4819	6.291	8	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:3:4:	P-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CCHH)(CH3)(H)	C(CCHN)(CCHP)(H)2	P(C[6a]C[6a]2)2(CCCH)	110.0560	0.000	1	110.0560	0.000	1	110.0560	0.000	1	107.4819	6.291	8	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:1:	4:4:1:1:	3:4:4:	P-3:C-4:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CCHH)2(H)	C(CCHH)(CCHP)(H)2	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CCHH)2(H)	C(CCHH)(CCHP)(H)2	P(C[6a]C[6a]2)(CCCH)2	109.8685	1.164	4	109.8685	1.356	4	109.8685	1.356	4	109.8685	1.356	4	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:3:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:C-4:	C(PC[5a]2)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)2(CC3)	C(PC[5a]2)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)2(CC3)	111.3965	9.463	2	111.3965	89.552	2	111.3965	89.552	2	109.7505	19.816	44	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:3:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:B-3:C-4:	C(PC[6a]B)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(BC[6a]P)(CC3)	C(PC[6a]B)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(BC[6a]P)(CC3)	109.3977	2.654	6	109.3977	7.041	6	109.3977	7.041	6	109.7505	19.816	44	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:3:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(PC[6a]2)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)2(CC3)	C(PC[6a]2)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)2(CC3)	109.6557	4.720	24	109.6557	22.283	24	109.6557	22.283	24	109.7505	19.816	44	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:3:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:	C(PC[6a]N)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(NLiC)(CC3)	C(PC[6a]N)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(NLiC)(CC3)	109.7907	3.040	6	109.7907	9.243	6	109.8423	18.941	12	109.7505	19.816	44	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:3:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:N-3:C-4:	C(PC[6a]N)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(NP[5]C)(CC3)	C(PC[6a]N)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(NP[5]C)(CC3)	109.8940	5.694	6	109.8940	32.421	6	109.8423	18.941	12	109.7505	19.816	44	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:	C(PC[5a]O)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]N[5a])(CC3)(O)	C(PC[5a]O)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]N[5a])(CC3)(O)	108.7347	2.503	3	108.7347	6.267	3	108.6558	3.420	6	108.8437	20.662	15	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:O-1:	C(PC[5a]O)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]S[5a])(CC3)(O)	C(PC[5a]O)(CH3)3	C(CCCP)(H)3	P(C[5a]C[5a]S[5a])(CC3)(O)	108.5770	1.505	3	108.5770	2.264	3	108.6558	3.420	6	108.8437	20.662	15	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:Cl-1:	C(PC[6a]Cl)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(Cl)	C(PC[6a]Cl)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(Cl)	109.0043	5.185	6	109.0043	26.889	6	109.0043	26.889	6	108.8437	20.662	15	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N-3:C-4:Cl-1:	C(PClN)(CH3)3	C(CCCP)(H)3	P(NC[6a]2)(CC3)(Cl)	C(PClN)(CH3)3	C(CCCP)(H)3	P(NC[6a]2)(CC3)(Cl)	108.8980	8.287	3	108.8980	68.676	3	108.8980	68.676	3	108.8437	20.662	15	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:3:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:B-3:	C(PC[6a]B)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(BNN)	C(PC[6a]B)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(BNN)	110.0400	5.193	6	110.0400	26.970	6	110.0400	26.970	6	109.6680	32.050	24	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:3:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(PC[6a]C)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(COO)	C(PC[6a]C)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(COO)	109.2705	5.376	6	109.2705	28.897	6	109.2705	28.897	6	109.6680	32.050	24	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:3:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:P-3:	C(PC[6a]P)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(PCN)	C(PC[6a]P)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(PCN)	109.7170	6.443	3	109.7170	41.509	3	109.7643	27.858	6	109.6680	32.050	24	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:3:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:P-3:	C(PC[6a]P)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(PNN)	C(PC[6a]P)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)(PNN)	109.8117	5.304	3	109.8117	28.129	3	109.7643	27.858	6	109.6680	32.050	24	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:3:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:P-3:	C(PN[6]P)(CH3)3	C(CCCP)(H)3	P(N[6]C[6]2)(CC3)(PCP)	C(PN[6]P)(CH3)3	C(CCCP)(H)3	P(N[6]C[6]2)(CC3)(PCP)	109.5970	7.958	6	109.5970	63.331	6	109.5970	63.331	6	109.6680	32.050	24	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	B[6]-3:C-4:C-4:	C(PB[6]C)(CH3)3	C(CCCP)(H)3	P(B[6]C[6]2)(CC3)2	C(PB[6]C)(CH3)3	C(CCCP)(H)3	P(B[6]C[6]2)(CC3)2	110.4382	4.826	12	110.4382	23.287	12	110.4382	23.287	12	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2)(CC3)2	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2)(CC3)2	110.1385	6.133	6	110.1385	37.613	6	110.2186	35.131	12	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-3:C-4:C-4:	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]N[5]P[5])(CC3)2	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]N[5]P[5])(CC3)2	110.2987	6.298	6	110.2987	39.661	6	110.2186	35.131	12	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5a]-3:C-4:C-4:	C(PC[5a]C)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)(CC3)2	C(PC[5a]C)(CH3)3	C(CCCP)(H)3	P(C[5a]N[5a]2)(CC3)2	110.0897	6.305	12	110.0897	39.749	12	110.0897	39.749	12	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CCHH)(CH3)2	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CCHH)(CH3)2	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2	112.0983	7.317	4	112.0983	53.545	4	110.1449	37.399	57	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6,6a]C[6a])(CC3)2	C(PC[6a]C)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6,6a]C[6a])(CC3)2	110.3007	6.664	12	110.3007	44.404	12	110.1449	37.399	57	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C(CCCP)(H)3	P(C[6a]C[6a]2)(CC3)2	109.9088	5.974	41	109.9088	35.686	41	110.1449	37.399	57	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[4]-3:C-4:C-4:	C(PGa[4]C)(CH3)3	C(CCCP)(H)3	P(Ga[4]Ga[4]P[4])(CC3)2	C(PGa[4]C)(CH3)3	C(CCCP)(H)3	P(Ga[4]Ga[4]P[4])(CC3)2	110.4187	5.418	12	110.4187	29.352	12	110.4187	29.352	12	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:	C(PN[5]C)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]2)(CC3)2	110.0668	6.747	95	110.0668	45.528	95	110.0740	45.096	101	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5]-3:C-4:C-4:	C(PN[5]C)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]N[5])(CC3)2	C(PN[5]C)(CH3)3	C(CCCP)(H)3	P(N[5]C[5]N[5])(CC3)2	110.1887	6.780	6	110.1887	45.975	6	110.0740	45.096	101	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:	C(PN[5a]C)(CH3)3	C(CCCP)(H)3	P(N[5a]C[5a,6a]C[5a])(CC3)2	C(PN[5a]C)(CH3)3	C(CCCP)(H)3	P(N[5a]C[5a,6a]C[5a])(CC3)2	110.1632	7.607	6	110.1632	57.865	6	110.3771	46.443	18	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[5a]-3:C-4:C-4:	C(PN[5a]C)(CH3)3	C(CCCP)(H)3	P(N[5a]C[5a]2)(CC3)2	C(PN[5a]C)(CH3)3	C(CCCP)(H)3	P(N[5a]C[5a]2)(CC3)2	110.4840	6.741	12	110.4840	45.436	12	110.3771	46.443	18	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:	C(PN[6]C)(CH3)3	C(CCCP)(H)3	P(N[6]B[5,6]N[6])(CC3)2	C(PN[6]C)(CH3)3	C(CCCP)(H)3	P(N[6]B[5,6]N[6])(CC3)2	110.1448	6.850	6	110.1448	46.922	6	109.9706	43.268	18	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	N[6]-3:C-4:C-4:	C(PN[6]C)(CH3)3	C(CCCP)(H)3	P(N[6]C[6]2)(CC3)2	C(PN[6]C)(CH3)3	C(CCCP)(H)3	P(N[6]C[6]2)(CC3)2	109.8835	6.746	12	109.8835	45.515	12	109.9706	43.268	18	110.1487	39.567	242	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:3:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:B-3:C-4:	C(PC[5]B)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(BC[6a]P)(CC3)	C(PC[5]B)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(BC[6a]P)(CC3)	109.5520	2.942	6	109.5520	8.654	6	109.5520	8.654	6	109.5520	8.654	6	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:Cl-1:	C(PC[5]Cl)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)(Cl)	C(PC[5]Cl)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)(Cl)	108.9000	5.406	3	108.9000	29.226	3	108.9000	29.226	3	109.0832	18.026	9	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:	C(PC[5]H)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)(H)	C(PC[5]H)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)(H)	109.0743	2.997	3	109.0743	8.983	3	109.0743	8.983	3	109.0832	18.026	9	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:1:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge-4:C-4:Cl-1:	C(PClGe)(CH3)3	C(CCCP)(H)3	P(GeClNN)(CC3)(Cl)	C(PClGe)(CH3)3	C(CCCP)(H)3	P(GeClNN)(CC3)(Cl)	109.2753	5.813	3	109.2753	33.790	3	109.2753	33.790	3	109.0832	18.026	9	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:2:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C-4:C-4:Se-2:	C(PSeC)(CH3)3	C(CCCP)(H)3	P(CC3)2(SeP)	C(PSeC)(CH3)3	C(CCCP)(H)3	P(CC3)2(SeP)	110.2607	5.449	24	110.2607	29.687	24	110.2607	29.687	24	110.2607	29.687	24	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:3:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga-4:C-4:C-3:	C(PGaC)(CH3)3	C(CCCP)(H)3	P(GaCl3)(CC3)(CCH)	C(PGaC)(CH3)3	C(CCCP)(H)3	P(GaCl3)(CC3)(CCH)	108.7960	2.175	3	108.7960	4.730	3	108.7960	4.730	3	108.7960	4.730	3	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Co)(CC3)2	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Co)(CC3)2	110.4358	4.661	6	110.4358	21.729	6	110.7789	24.590	35	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)2	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(CC3)2	110.9171	5.185	18	110.9171	26.887	18	110.7789	24.590	35	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Re)(CC3)2	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Re)(CC3)2	111.3878	5.240	5	111.3878	27.457	5	110.7789	24.590	35	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Zr)(CC3)2	C(PC[5]C)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Zr)(CC3)2	110.1998	5.578	6	110.1998	31.118	6	110.7789	24.590	35	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:Si-4:C-4:	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SiBr2P)(CC3)	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SiBr2P)(CC3)	109.4213	5.053	6	109.4213	25.534	6	109.3878	19.497	30	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:Si-4:C-4:	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SiC3)(CC3)	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SiC3)(CC3)	109.6943	3.283	6	109.6943	10.780	6	109.3878	19.497	30	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:Si-4:C-4:	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SiCl2P)(CC3)	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SiCl2P)(CC3)	109.2262	5.130	6	109.2262	26.321	6	109.3878	19.497	30	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:Si-4:C-4:	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SiHHP)(CC3)	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SiHHP)(CC3)	109.3170	4.755	6	109.3170	22.609	6	109.3878	19.497	30	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[5]-4:Si-4:C-4:	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SiIIP)(CC3)	C(PC[5]Si)(CH3)3	C(CCCP)(H)3	P(C[5]C[5]2Fe)(SiIIP)(CC3)	109.2803	5.260	6	109.2803	27.672	6	109.3878	19.497	30	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ga[4]-4:C-4:C-4:	C(PGa[4]C)(CH3)3	C(CCCP)(H)3	P(Ga[4]Ga[4]2P)(CC3)2	C(PGa[4]C)(CH3)3	C(CCCP)(H)3	P(Ga[4]Ga[4]2P)(CC3)2	110.5955	4.153	12	110.5955	17.250	12	110.5955	17.250	12	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[4]-4:C-4:C-4:	C(PGe[4]C)(CH3)3	C(CCCP)(H)3	P(Ge[4]N[4]2Cl)(CC3)2	C(PGe[4]C)(CH3)3	C(CCCP)(H)3	P(Ge[4]N[4]2Cl)(CC3)2	110.1392	5.497	6	110.1392	30.213	6	110.1392	30.213	6	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	4:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	Ge[4]-4:Ge[4]-4:C-4:	C(PGe[4]2)(CH3)3	C(CCCP)(H)3	P(Ge[4]N[4]2Cl)2(CC3)	C(PGe[4]2)(CH3)3	C(CCCP)(H)3	P(Ge[4]N[4]2Cl)2(CC3)	109.4290	5.781	3	109.4290	33.417	3	109.4290	33.417	3	110.1763	21.697	86	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	5:2:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:S-2:C-4:	C(PC[3x3,4,3x5,14x6]S)(CH3)3	C(CCCP)(H)3	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SC[6a])(CC3)	C(PC[3x3,4,3x5,14x6]S)(CH3)3	C(CCCP)(H)3	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SC[6a])(CC3)	109.1732	5.954	6	109.1732	35.453	6	109.1732	35.453	6	109.1732	35.453	6	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:1:1:1:	5:4:4:	P-3:C-4:C-4:C-4:	C-4:H-1:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:	C(PC[3x3,4,3x5,14x6]C)(CH3)3	C(CCCP)(H)3	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC3)2	C(PC[3x3,4,3x5,14x6]C)(CH3)3	C(CCCP)(H)3	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC3)2	111.0018	5.358	6	111.0018	28.709	6	111.0018	28.709	6	111.0018	28.709	6	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	3:4:4:4:	4:4:1:1:	3:4:4:	P-3:C-4:C-4:C-4:	C-4:C-4:H-1:H-1:	C[6a]-3:C-4:C-4:	C(PC[6a]C)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CCHH)(CH3)2	C(CCCP)(CCHH)(H)2	P(C[6a]C[6a]2)(CC3)2	109.4095	4.166	2	109.4095	17.352	2	109.4095	17.352	2	109.4095	17.352	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	3:3:4:1:	3:3:4:	C-4:P-3:H-1:H-1:	C[6a]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[6a]HP)(PC[6a]2)(H)2	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	P(C[6a]C[6a]2)2(CCHH)	C(CC[6a]HP)(PC[6a]2)(H)2	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	P(C[6a]C[6a]2)2(CCHH)	112.9527	1.700	3	112.9527	2.889	3	112.9527	2.889	3	112.9527	2.889	3	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	3:4:1:1:	3:3:4:	C-4:P-3:H-1:H-1:	C[4]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[4]HH)(PC[6a]2)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(CC[4]HH)(PC[6a]2)(H)2	C(C[4]B[4]C[4])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	110.2920	0.281	2	110.2920	0.079	2	110.2920	0.079	2	111.2151	2.890	7	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	3:4:1:1:	3:3:4:	C-4:P-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]B[5]C[5])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]B[5]C[5])(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	110.2150	0.000	1	110.2150	0.000	1	111.2120	1.988	2	111.2151	2.890	7	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	3:4:1:1:	3:3:4:	C-4:P-3:H-1:H-1:	C[5]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]C[5]2)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]C[5]2)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	112.2090	0.000	1	112.2090	0.000	1	111.2120	1.988	2	111.2151	2.890	7	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	3:4:1:1:	3:3:4:	C-4:P-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CN[5]HH)(PC[6a]2)(H)2	C(N[5]C[5]2)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(CN[5]HH)(PC[6a]2)(H)2	C(N[5]C[5]2)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	112.7415	2.733	2	112.7415	7.469	2	112.7415	7.469	2	111.2151	2.890	7	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	3:4:1:1:	3:3:4:	C-4:P-3:H-1:H-1:	N[6]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CN[6]HH)(PC[6a]2)(H)2	C(N[6]C[6]2)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(CN[6]HH)(PC[6a]2)(H)2	C(N[6]C[6]2)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	111.2151	2.890	7	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	3:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	N[5a]-3:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CN[5a]HH)(PCC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	P(CCHH)(CC3)2	C(CN[5a]HH)(PCC)(H)2	C(N[5a]C[5a,6a]C[5a])(CHHP)(H)2	P(CCHH)(CC3)2	114.2430	0.259	2	114.2430	0.067	2	114.2430	0.067	2	114.2430	0.067	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	3:4:3:1:	3:3:4:	C-4:P-3:H-1:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[6a]HN)(PC[6a]2)(H)2	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	P(C[6a]C[6a]2)2(CCHH)	C(CC[6a]HN)(PC[6a]2)(H)2	C(C[6a]C[6a]2)(CHHP)(NCS)(H)	P(C[6a]C[6a]2)2(CCHH)	117.6660	0.000	1	117.6660	0.000	1	117.6660	0.000	1	117.6660	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	3:4:4:1:	3:3:4:	C-4:P-3:H-1:H-1:	N[6]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CN[6]CH)(PC[6a]2)(H)2	C(N[6]C[6]2)(CHHP)(CH3)(H)	P(C[6a]C[6a]2)2(CCHH)	C(CN[6]CH)(PC[6a]2)(H)2	C(N[6]C[6]2)(CHHP)(CH3)(H)	P(C[6a]C[6a]2)2(CCHH)	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	110.3830	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:1:1:1:	3:4:4:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:	C(CH3)(PCN)(H)2	C(CHHP)(H)3	P(NC[6]H)(CCHH)2	C(CH3)(PCN)(H)2	C(CHHP)(H)3	P(NC[6]H)(CCHH)2	112.1225	0.011	2	112.1225	0.000	2	112.1225	0.000	2	112.1225	0.000	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:P-3:	C(CH3)(PPP)(H)2	C(CHHP)(H)3	P(PC[6a]3)(CCHH)(PCP)	C(CH3)(PPP)(H)2	C(CHHP)(H)3	P(PC[6a]3)(CCHH)(PCP)	109.9197	0.474	3	109.9197	0.225	3	110.2296	1.596	5	110.2296	1.596	5	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:1:1:1:	4:4:3:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:H-1:	P-4:C-4:P-3:	C(CH3)(PPP)(H)2	C(CHHP)(H)3	P(PRhCP)(CCHH)(PRhC)	C(CH3)(PPP)(H)2	C(CHHP)(H)3	P(PRhCP)(CCHH)(PRhC)	110.6945	2.283	2	110.6945	5.213	2	110.2296	1.596	5	110.2296	1.596	5	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:P-3:F-1:F-1:	C-4:F-1:F-1:F-1:	C-4:C-4:C-4:	C(CF3)(PCC)(F)2	C(CFFP)(F)3	P(CCFF)3	C(CF3)(PCC)(F)2	C(CFFP)(F)3	P(CCFF)3	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	113.4559	2.613	7	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:1:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(PCC)(H)2	C(CHHP)(H)3	P(CCHH)3	C(CH3)(PCC)(H)2	C(CHHP)(H)3	P(CCHH)3	113.9023	1.209	6	113.9023	1.461	6	113.9023	1.461	6	113.4559	2.613	7	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:2:1:1:	4:1:1:	C-4:P-3:H-1:H-1:	C-4:P-2:H-1:H-1:	C-4:H-1:H-1:	C(CHHP)(PHH)(H)2	C(CHHP)(PZr)(H)2	P(CCHH)(H)2	C(CHHP)(PHH)(H)2	C(CHHP)(PZr)(H)2	P(CCHH)(H)2	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:3:1:1:	4:4:3:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:C-4:P-3:	C(CHHP)(PCP)(H)2	C(CHHP)(PCC)(H)2	P(CCHH)(CC3)(PCC)	C(CHHP)(PCP)(H)2	C(CHHP)(PCC)(H)2	P(CCHH)(CC3)(PCC)	111.7390	0.680	2	111.7390	0.463	2	111.7390	0.463	2	111.7390	0.463	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:N-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(PCC)(H)2	C(CHHP)(NSiC)(H)2	P(CCCH)2(CCHH)	C(CHHN)(PCC)(H)2	C(CHHP)(NSiC)(H)2	P(CCCH)2(CCHH)	112.6110	0.000	1	112.6110	0.000	1	112.6110	0.000	1	114.1116	5.252	14	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(PCC)(H)2	C(CHHP)(PCC)(H)2	P(CCHH)(CC3)2	C(CHHP)(PCC)(H)2	C(CHHP)(PCC)(H)2	P(CCHH)(CC3)2	112.9140	0.671	5	112.9140	0.450	5	114.2270	5.487	13	114.1116	5.252	14	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(PCC)(H)2	C(CHHP)(PCC)(H)2	P(CCHH)(CHHN)2	C(CHHP)(PCC)(H)2	C(CHHP)(PCC)(H)2	P(CCHH)(CHHN)2	119.0440	0.000	1	119.0440	0.000	1	114.2270	5.487	13	114.1116	5.252	14	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(PCC)(H)2	C(CHHP)(PCC)(H)2	P(CCHH)(CHHO)2	C(CHHP)(PCC)(H)2	C(CHHP)(PCC)(H)2	P(CCHH)(CHHO)2	112.9500	0.000	1	112.9500	0.000	1	114.2270	5.487	13	114.1116	5.252	14	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(PCC)(H)2	C(CHHP)(PCP)(H)2	P(CCHH)(CC3)2	C(CHHP)(PCC)(H)2	C(CHHP)(PCP)(H)2	P(CCHH)(CC3)2	112.2845	1.208	2	112.2845	1.460	2	114.2270	5.487	13	114.1116	5.252	14	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:3:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(PCC)(H)2	C(CHHP)(PThC)(H)2	P(CCHH)(CH3)2	C(CHHP)(PCC)(H)2	C(CHHP)(PThC)(H)2	P(CCHH)(CH3)2	115.9545	1.794	4	115.9545	3.217	4	114.2270	5.487	13	114.1116	5.252	14	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	3:3:4:	C-4:P-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]C[5,6a]2H)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	C(CC[5]HH)(PC[6a]2)(H)2	C(C[5]C[5,6a]2H)(CHHP)(H)2	P(C[6a]C[6a]2)2(CCHH)	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:1:	C-4:P-3:H-1:H-1:	C-4:P-4:H-1:H-1:	C-4:C-4:I-1:	C(CHHP)(PCI)(H)2	C(CHHP)(PCCI)(H)2	P(CCHH)(CC3)(I)	C(CHHP)(PCI)(H)2	C(CHHP)(PCCI)(H)2	P(CCHH)(CC3)(I)	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	109.5530	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(PCC)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)3	C(CCHH)(PCC)(H)2	C(CCHH)(CHHP)(H)2	P(CCHH)3	111.1036	2.709	13	111.1036	7.336	13	111.5116	13.178	21	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(PCC)(H)2	C(CCHH)(CHHP)(H)2	P(CN[5a]3)(CCHH)2	C(CCHH)(PCC)(H)2	C(CCHH)(CHHP)(H)2	P(CN[5a]3)(CCHH)2	112.6895	0.996	2	112.6895	0.993	2	111.5116	13.178	21	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(PCC)(H)2	C(CFHH)(CHHP)(H)2	P(CCHH)(CC3)2	C(CCHH)(PCC)(H)2	C(CFHH)(CHHP)(H)2	P(CCHH)(CC3)2	116.5810	0.000	1	116.5810	0.000	1	111.5116	13.178	21	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(PCC)(H)2	C(CHHP)(CH3)(H)2	P(CCHH)3	C(CCHH)(PCC)(H)2	C(CHHP)(CH3)(H)2	P(CCHH)3	114.8990	3.562	3	114.8990	12.689	3	111.5116	13.178	21	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CCHH)(PCC)(H)2	C(CHHP)2(H)2	P(CCHH)3	C(CCHH)(PCC)(H)2	C(CHHP)2(H)2	P(CCHH)3	105.3700	2.943	2	105.3700	8.661	2	111.5116	13.178	21	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	C[5]-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CC[5]HH)(PCC)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	P(CCHH)3	C(CC[5]HH)(PCC)(H)2	C(C[5]C[5]2Fe)(CHHP)(H)2	P(CCHH)3	113.3310	0.642	3	113.3310	0.412	3	113.3310	0.412	3	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(PCC)(H)2	C(NAlSiC)(CHHP)(H)2	P(CCCH)2(CCHH)	C(CHHN)(PCC)(H)2	C(NAlSiC)(CHHP)(H)2	P(CCCH)2(CCHH)	112.4430	0.000	1	112.4430	0.000	1	113.4718	7.658	12	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(PCC)(H)2	C(NCoSiC)(CHHP)(H)2	P(CCCH)2(CCHH)	C(CHHN)(PCC)(H)2	C(NCoSiC)(CHHP)(H)2	P(CCCH)2(CCHH)	111.3820	0.000	1	111.3820	0.000	1	113.4718	7.658	12	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(PCC)(H)2	C(NCrSiC)(CHHP)(H)2	P(CCCH)2(CCHH)	C(CHHN)(PCC)(H)2	C(NCrSiC)(CHHP)(H)2	P(CCCH)2(CCHH)	114.3873	3.719	6	114.3873	13.828	6	113.4718	7.658	12	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(PCC)(H)2	C(NFeSiC)(CHHP)(H)2	P(CCCH)2(CCHH)	C(CHHN)(PCC)(H)2	C(NFeSiC)(CHHP)(H)2	P(CCCH)2(CCHH)	111.8160	0.000	1	111.8160	0.000	1	113.4718	7.658	12	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(PCC)(H)2	C(NSiTiC)(CHHP)(H)2	P(CCCH)2(CCHH)	C(CHHN)(PCC)(H)2	C(NSiTiC)(CHHP)(H)2	P(CCCH)2(CCHH)	112.7490	0.566	2	112.7490	0.320	2	113.4718	7.658	12	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	N-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHN)(PCC)(H)2	C(NSiZrC)(CHHP)(H)2	P(CCCH)2(CCHH)	C(CHHN)(PCC)(H)2	C(NSiZrC)(CHHP)(H)2	P(CCCH)2(CCHH)	114.1990	0.000	1	114.1990	0.000	1	113.4718	7.658	12	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(PCC)(H)2	C(PGeCC)(CHHP)(H)2	P(CCHH)(CH3)2	C(CHHP)(PCC)(H)2	C(PGeCC)(CHHP)(H)2	P(CCHH)(CH3)2	111.2850	0.000	1	111.2850	0.000	1	112.2994	1.348	12	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(PCC)(H)2	C(PRuCC)(CHHP)(H)2	P(CCCH)2(CCHH)	C(CHHP)(PCC)(H)2	C(PRuCC)(CHHP)(H)2	P(CCCH)2(CCHH)	113.3357	1.068	4	113.3357	1.140	4	112.2994	1.348	12	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:1:1:	4:4:4:	C-4:P-3:H-1:H-1:	P-4:C-4:H-1:H-1:	C-4:C-4:C-4:	C(CHHP)(PCC)(H)2	C(PRuCC)(CHHP)(H)2	P(CCHH)(CC3)2	C(CHHP)(PCC)(H)2	C(PRuCC)(CHHP)(H)2	P(CCHH)(CC3)2	111.8521	0.883	7	111.8521	0.780	7	112.2994	1.348	12	112.3123	8.429	48	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:4:2:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:	C(CCCO)(PCC)(H)2	C(CHHP)(CF3)2(OGe)	P(CCHH)(CC3)2	C(CCCO)(PCC)(H)2	C(CHHP)(CF3)2(OGe)	P(CCHH)(CC3)2	112.0155	0.163	4	112.0155	0.027	4	113.3911	2.006	9	113.3911	2.006	9	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:4:2:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:	C(CCCO)(PCC)(H)2	C(CHHP)(CF3)2(OSn)	P(CCHH)(CC3)2	C(CCCO)(PCC)(H)2	C(CHHP)(CF3)2(OSn)	P(CCHH)(CC3)2	115.5010	0.000	1	115.5010	0.000	1	113.3911	2.006	9	113.3911	2.006	9	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	4:4:4:2:	4:4:4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:	C(CCCO)(PCC)(H)2	C(CHHP)(CH3)2(OB)	P(CCHH)(CC3)2	C(CCCO)(PCC)(H)2	C(CHHP)(CH3)2(OB)	P(CCHH)(CC3)2	114.2392	0.597	4	114.2392	0.357	4	113.3911	2.006	9	113.3911	2.006	9	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:1:1:	5:4:4:1:	3:3:4:	C-4:P-3:H-1:H-1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CZrHH)(CHHP)(H)	P(C[6a]C[6a]2)2(CCHH)	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CZrHH)(CHHP)(H)	P(C[6a]C[6a]2)2(CCHH)	113.6210	0.000	1	113.6210	0.000	1	113.6210	0.000	1	113.6210	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:3:3:	4:1:1:1:	4:4:4:	C-4:C-3:C-3:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)(CHH)2(PCC)	C(CCCP)(H)3	P(CCHH)(CC3)2	C(CH3)(CHH)2(PCC)	C(CCCP)(H)3	P(CCHH)(CC3)2	112.9430	0.000	1	112.9430	0.000	1	112.9430	0.000	1	112.9430	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:4:1:	4:1:1:1:	3:3:4:	C[5]-4:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	C(CC[5]HP)(H)3	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	C(CC[5]HP)(H)3	P(C[6a]C[6a]2)2(CC[5]CH)	113.2187	3.870	3	113.2187	14.977	3	110.5174	21.241	5	111.3055	20.720	6	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:4:1:	4:1:1:1:	3:3:4:	C[5]-4:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[5]C[5]P[5]Ru)(PC[6a]2)(CH3)(H)	C(CC[5]HP)(H)3	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]P[5]Ru)(PC[6a]2)(CH3)(H)	C(CC[5]HP)(H)3	P(C[6a]C[6a]2)2(CC[5]CH)	106.4655	0.532	2	106.4655	0.284	2	110.5174	21.241	5	111.3055	20.720	6	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:4:1:	4:1:1:1:	3:3:4:	C[6]-4:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[6]C[6]2Cr)(PC[6a]2)(CH3)(H)	C(CC[6]HP)(H)3	P(C[6a]C[6a]2)2(CC[6]CH)	C(C[6]C[6]2Cr)(PC[6a]2)(CH3)(H)	C(CC[6]HP)(H)3	P(C[6a]C[6a]2)2(CC[6]CH)	115.2460	0.000	1	115.2460	0.000	1	115.2460	0.000	1	111.3055	20.720	6	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[3x6]-4:C-4:H-1:	C(C[5]C[5]2Fe)(PC[3x6]H)(CH3)(H)	C(CC[5]HP)(H)3	P(C[3x6]C[6,6]3)(CC[5]CH)(H)	C(C[5]C[5]2Fe)(PC[3x6]H)(CH3)(H)	C(CC[5]HP)(H)3	P(C[3x6]C[6,6]3)(CC[5]CH)(H)	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:4:1:	4:1:1:1:	4:4:4:	C[5]-4:P-3:C-4:H-1:	C-4:H-1:H-1:H-1:	C[6]-4:C-4:C-4:	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	C(CC[5]HP)(H)3	P(C[6]C[6]2H)(CC[5]CH)2	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	C(CC[5]HP)(H)3	P(C[6]C[6]2H)(CC[5]CH)2	108.6040	0.520	2	108.6040	0.271	2	108.6040	0.271	2	108.6040	0.271	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:4:1:	4:4:1:1:	3:3:4:	C[5]-4:P-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	C(CC[5]CH)(CC[5]HP)(H)2	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	C(CC[5]CH)(CC[5]HP)(H)2	P(C[6a]C[6a]2)2(CC[5]CH)	109.1482	2.476	5	109.1482	6.130	5	109.1482	6.130	5	109.1482	6.130	5	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:4:1:	4:4:1:1:	4:4:4:	C[5]-4:P-3:C-4:H-1:	C-4:C-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	C(CC[5]CH)(CC[5]HP)(H)2	P(C[6]C[6]2H)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	C(CC[5]CH)(CC[5]HP)(H)2	P(C[6]C[6]2H)2(CC[5]CH)	109.8890	1.357	4	109.8890	1.841	4	109.8890	1.841	4	109.8890	1.841	4	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:3:4:4:	4:1:1:1:	4:4:4:	C[5]-4:P-3:C-4:C-4:	C-4:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C(C[5]C[5]2Ti)(PC[6]2)(CH3)2	C(CC[5]CP)(H)3	P(C[6]C[6]2H)2(CC[5]CC)	C(C[5]C[5]2Ti)(PC[6]2)(CH3)2	C(CC[5]CP)(H)3	P(C[6]C[6]2H)2(CC[5]CC)	110.1725	6.259	2	110.1725	39.170	2	110.1725	39.170	2	110.1725	39.170	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	2:2:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	N-2:N-2:C-4:	C(CH3)2(PNN)(H)	C(CCHP)(H)3	P(NC[5])2(CCCH)	C(CH3)2(PNN)(H)	C(CCHP)(H)3	P(NC[5])2(CCCH)	111.6730	3.391	2	111.6730	11.501	2	111.6730	11.501	2	111.6730	11.501	2	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	2:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(NC[6])(CCCH)2	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(NC[6])(CCCH)2	111.1128	3.572	4	111.1128	12.759	4	111.1128	12.759	4	111.2188	9.893	12	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	2:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:	C(CH3)2(PCO)(H)	C(CCHP)(H)3	P(OC[5x3,5x5,20x6])(CCCH)2	C(CH3)2(PCO)(H)	C(CCHP)(H)3	P(OC[5x3,5x5,20x6])(CCCH)2	111.2717	3.173	8	111.2717	10.069	8	111.2717	10.069	8	111.2188	9.893	12	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[5]H)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[5]H)(CCCH)2	112.0667	2.742	16	112.0667	7.521	16	112.0667	7.521	16	111.4538	10.458	44	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(NC[5]Co)(CCCH)2	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(NC[5]Co)(CCCH)2	111.4155	4.544	4	111.4155	20.651	4	111.1036	12.127	28	111.4538	10.458	44	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(NC[5]Fe)(CCCH)2	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(NC[5]Fe)(CCCH)2	110.7861	3.222	8	110.7861	10.384	8	111.1036	12.127	28	111.4538	10.458	44	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(NC[6a]H)(CCCH)2	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(NC[6a]H)(CCCH)2	110.8346	3.269	8	110.8346	10.684	8	111.1036	12.127	28	111.4538	10.458	44	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	3:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(NC[6a]N)(CCCH)2	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(NC[6a]N)(CCCH)2	111.5340	4.049	8	111.5340	16.392	8	111.1036	12.127	28	111.4538	10.458	44	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(CCCH)2(NC)	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(CCCH)2(NC)	111.2161	3.526	16	111.2161	12.435	16	111.4079	7.765	36	111.4079	7.765	36	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:2:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(CCCH)2(NP)	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(CCCH)2(NP)	111.5614	2.105	20	111.5614	4.430	20	111.4079	7.765	36	111.4079	7.765	36	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CCCH)2(CCW)	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CCCH)2(CCW)	111.1713	3.582	8	111.1713	12.833	8	111.1713	12.833	8	111.6611	9.459	47	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(CCCH)2(NCH)	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(CCCH)2(NCH)	110.7258	3.162	4	110.7258	9.999	4	111.6951	9.700	23	111.6611	9.459	47	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(CCCH)2(NHP)	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(CCCH)2(NHP)	111.8199	2.777	15	111.8199	7.711	15	111.6951	9.700	23	111.6611	9.459	47	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(CCCH)2(NRuC)	C(CH3)2(PCN)(H)	C(CCHP)(H)3	P(CCCH)2(NRuC)	112.1962	4.847	4	112.1962	23.489	4	111.6951	9.700	23	111.6611	9.459	47	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(PCP)(H)	C(CCHP)(H)3	P(CCCH)2(PMoP)	C(CH3)2(PCP)(H)	C(CCHP)(H)3	P(CCCH)2(PMoP)	112.2127	3.072	8	112.2127	9.440	8	111.8571	8.619	16	111.6611	9.459	47	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:3:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)2(PCP)(H)	C(CCHP)(H)3	P(CCCH)2(PPW)	C(CH3)2(PCP)(H)	C(CCHP)(H)3	P(CCCH)2(PPW)	111.5014	2.957	8	111.5014	8.741	8	111.8571	8.619	16	111.6611	9.459	47	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CBHH)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CBHH)(CCCH)2	113.4627	3.078	28	113.4627	9.473	28	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CCCH)2(CCHH)	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CCCH)2(CCHH)	111.9895	3.066	65	111.9895	9.403	65	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CCCH)2(CHHN)	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CCCH)2(CHHN)	112.6486	3.057	8	112.6486	9.344	8	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CCCH)2(CHHP)	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CCCH)2(CHHP)	111.4220	3.461	4	111.4220	11.978	4	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CCCH)3	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CCCH)3	113.9094	2.571	78	113.9094	6.611	78	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[3x6]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[3x6]HH)(CCCH)2	111.5360	3.250	4	111.5360	10.560	4	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[5]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[5]HH)(CCCH)2	112.1159	2.926	8	112.1159	8.564	8	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[5a]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[5a]HH)(CCCH)2	112.5923	2.541	8	112.5923	6.457	8	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[6]HP)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[6]HP)(CCCH)2	111.6792	3.776	8	111.6792	14.255	8	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[6a]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[6a]HH)(CCCH)2	111.1863	3.782	4	111.1863	14.307	4	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[6a]HP)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CC[6a]HP)(CCCH)2	112.7400	4.496	8	112.7400	20.214	8	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CN[5a]3)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CN[5a]3)(CCCH)2	111.8240	5.719	4	111.8240	32.711	4	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	4:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CN[5a]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CN[5a]HH)(CCCH)2	111.0917	3.362	8	111.0917	11.306	8	112.8001	9.757	235	112.8001	9.757	235	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:3:1:	4:1:1:1:	5:4:4:	C-4:C-4:P-3:H-1:	C-4:H-1:H-1:H-1:	C-5:C-4:C-4:	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CHHNU)(CCCH)2	C(CH3)2(PCC)(H)	C(CCHP)(H)3	P(CHHNU)(CCCH)2	112.5145	3.162	11	112.5145	10.000	11	112.5145	10.000	11	112.5145	10.000	11	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	2:2:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	O-2:O-2:C-4:	C(CH3)3(POO)	C(CCCP)(H)3	P(OC[5])2(CC3)	C(CH3)3(POO)	C(CCCP)(H)3	P(OC[5])2(CC3)	108.5747	4.624	6	108.5747	21.384	6	108.5747	21.384	6	108.9238	21.511	12	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	2:2:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	S-2:S-2:C-4:	C(CH3)3(PSS)	C(CCCP)(H)3	P(SC[3x3,4,3x5,14x6])2(CC3)	C(CH3)3(PSS)	C(CCCP)(H)3	P(SC[3x3,4,3x5,14x6])2(CC3)	109.2730	5.064	6	109.2730	25.647	6	109.2730	25.647	6	108.9238	21.511	12	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	2:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	N-2:C-4:C-4:	C(CH3)3(PCN)	C(CCCP)(H)3	P(NC[5])(CC3)2	C(CH3)3(PCN)	C(CCCP)(H)3	P(NC[5])(CC3)2	110.5830	5.205	6	110.5830	27.094	6	110.5830	27.094	6	109.7705	30.971	35	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	2:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	O-2:C-4:C-4:	C(CH3)3(PCO)	C(CCCP)(H)3	P(OC[6a])(CC3)2	C(CH3)3(PCO)	C(CCCP)(H)3	P(OC[6a])(CC3)2	109.6023	5.710	29	109.6023	32.599	29	109.6023	32.599	29	109.7705	30.971	35	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:3:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-3:C-3:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[3x6]O)(CC[6a]O)(CC3)	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[3x6]O)(CC[6a]O)(CC3)	109.2050	5.507	3	109.2050	30.331	3	109.2050	30.331	3	109.2050	30.331	3	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	P-3:C-4:N-3:	C(CH3)3(PNP)	C(CCCP)(H)3	P(PC[6a]2)(CC3)(NCC)	C(CH3)3(PNP)	C(CCCP)(H)3	P(PC[6a]2)(CC3)(NCC)	110.0867	6.324	3	110.0867	39.990	3	110.0268	30.372	6	109.8369	22.869	12	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	P-3:C-4:N-3:	C(CH3)3(PNP)	C(CCCP)(H)3	P(PC[6a]C)(CC3)(NCC)	C(CH3)3(PNP)	C(CCCP)(H)3	P(PC[6a]C)(CC3)(NCC)	109.9670	5.994	3	109.9670	35.931	3	110.0268	30.372	6	109.8369	22.869	12	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	P-3:C-4:P-3:	C(CH3)3(PPP)	C(CCCP)(H)3	P(PN[6]C)(CC3)(PCC)	C(CH3)3(PPP)	C(CCCP)(H)3	P(PN[6]C)(CC3)(PCC)	109.6470	4.456	6	109.6470	19.853	6	109.6470	19.853	6	109.8369	22.869	12	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)3(PBC)	C(CCCP)(H)3	P(BBrN)(CC3)2	C(CH3)3(PBC)	C(CCCP)(H)3	P(BBrN)(CC3)2	110.1515	6.861	6	110.1515	47.075	6	110.2986	17.510	28	110.3401	22.538	76	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)3(PBC)	C(CCCP)(H)3	P(BC[6a]2)(CC3)2	C(CH3)3(PBC)	C(CCCP)(H)3	P(BC[6a]2)(CC3)2	110.2458	1.402	10	110.2458	1.965	10	110.2986	17.510	28	110.3401	22.538	76	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	B-3:C-4:C-4:	C(CH3)3(PBC)	C(CCCP)(H)3	P(BC[6a]P)(CC3)2	C(CH3)3(PBC)	C(CCCP)(H)3	P(BC[6a]P)(CC3)2	110.4161	4.466	12	110.4161	19.945	12	110.2986	17.510	28	110.3401	22.538	76	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-3:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[6]H)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[6]H)(CC3)2	110.2712	5.642	6	110.2712	31.830	6	110.2712	31.830	6	110.3401	22.538	76	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	N-3:C-4:C-4:	C(CH3)3(PCN)	C(CCCP)(H)3	P(NAlH)(CC3)2	C(CH3)3(PCN)	C(CCCP)(H)3	P(NAlH)(CC3)2	110.2747	5.233	12	110.2747	27.389	12	110.2747	27.389	12	110.3401	22.538	76	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)3(PCP)	C(CCCP)(H)3	P(PC[5]W)(CC3)2	C(CH3)3(PCP)	C(CCCP)(H)3	P(PC[5]W)(CC3)2	110.4658	5.180	6	110.4658	26.835	6	110.4187	26.097	30	110.3401	22.538	76	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)3(PCP)	C(CCCP)(H)3	P(PC[6a]2)(CC3)2	C(CH3)3(PCP)	C(CCCP)(H)3	P(PC[6a]2)(CC3)2	110.5488	5.219	6	110.5488	27.236	6	110.4187	26.097	30	110.3401	22.538	76	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)3(PCP)	C(CCCP)(H)3	P(PC[6a]N)(CC3)2	C(CH3)3(PCP)	C(CCCP)(H)3	P(PC[6a]N)(CC3)2	110.3552	5.702	6	110.3552	32.515	6	110.4187	26.097	30	110.3401	22.538	76	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	3:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	P-3:C-4:C-4:	C(CH3)3(PCP)	C(CCCP)(H)3	P(PC[6a]P)(CC3)2	C(CH3)3(PCP)	C(CCCP)(H)3	P(PC[6a]P)(CC3)2	110.3618	5.425	12	110.3618	29.428	12	110.4187	26.097	30	110.3401	22.538	76	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:3:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)(CCP)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)(CCP)2	109.7253	5.054	3	109.7253	25.544	3	109.7253	25.544	3	110.0873	38.325	6	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:3:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:N-3:P-3:	C(CH3)3(PNP)	C(CCCP)(H)3	P(CC3)(NCC)(PCC)	C(CH3)3(PNP)	C(CCCP)(H)3	P(CC3)(NCC)(PCC)	110.4493	8.359	3	110.4493	69.875	3	110.4493	69.875	3	110.0873	38.325	6	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:1:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:I-1:	C(CH3)3(PCI)	C(CCCP)(H)3	P(CCHH)(CC3)(I)	C(CH3)3(PCI)	C(CCCP)(H)3	P(CCHH)(CC3)(I)	108.8910	6.438	3	108.8910	41.441	3	108.8910	41.441	3	108.8910	41.441	3	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:2:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:N-2:	C(CH3)3(PCN)	C(CCCP)(H)3	P(CC3)2(NP)	C(CH3)3(PCN)	C(CCCP)(H)3	P(CC3)2(NP)	109.9903	4.747	12	109.9903	22.532	12	109.9903	22.532	12	109.9903	22.532	12	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:B-3:	C(CH3)3(PBC)	C(CCCP)(H)3	P(CC3)2(BNP)	C(CH3)3(PBC)	C(CCCP)(H)3	P(CC3)2(BNP)	110.5383	5.739	12	110.5383	32.935	12	110.5383	32.935	12	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)2(CCP)	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)2(CCP)	110.3673	5.707	12	110.3673	32.567	12	110.1584	28.563	60	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)2(COO)	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)2(COO)	110.2150	4.731	12	110.2150	22.381	12	110.1584	28.563	60	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)2(COP)	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)2(COP)	110.0596	5.950	18	110.0596	35.408	18	110.1584	28.563	60	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)2(CSS)	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)2(CSS)	110.0803	5.303	18	110.0803	28.118	18	110.1584	28.563	60	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:	C(CH3)3(PCN)	C(CCCP)(H)3	P(CC3)2(NCC)	C(CH3)3(PCN)	C(CCCP)(H)3	P(CC3)2(NCC)	109.0530	3.845	6	109.0530	14.784	6	109.8116	25.279	21	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:N-3:	C(CH3)3(PCN)	C(CCCP)(H)3	P(CC3)2(NCH)	C(CH3)3(PCN)	C(CCCP)(H)3	P(CC3)2(NCH)	110.1151	5.522	15	110.1151	30.487	15	109.8116	25.279	21	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)3(PCP)	C(CCCP)(H)3	P(CC3)(CH3)(PCP)	C(CH3)3(PCP)	C(CCCP)(H)3	P(CC3)(CH3)(PCP)	109.6833	4.987	6	109.6833	24.872	6	110.3277	23.579	47	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)3(PCP)	C(CCCP)(H)3	P(CC3)2(PCN)	C(CH3)3(PCP)	C(CCCP)(H)3	P(CC3)2(PCN)	110.7823	5.180	6	110.7823	26.834	6	110.3277	23.579	47	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)3(PCP)	C(CCCP)(H)3	P(CC3)2(PNN)	C(CH3)3(PCP)	C(CCCP)(H)3	P(CC3)2(PNN)	110.5901	5.042	24	110.5901	25.422	24	110.3277	23.579	47	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)3(PCP)	C(CCCP)(H)3	P(CC3)2(PPP)	C(CH3)3(PCP)	C(CCCP)(H)3	P(CC3)2(PPP)	110.1250	6.175	5	110.1250	38.133	5	110.3277	23.579	47	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:3:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:P-3:	C(CH3)3(PCP)	C(CCCP)(H)3	P(CCHH)(CC3)(PCC)	C(CH3)3(PCP)	C(CCCP)(H)3	P(CCHH)(CC3)(PCC)	109.6368	4.010	6	109.6368	16.084	6	110.3277	23.579	47	110.1958	26.210	140	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	B-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(BH3)(CH3)2(PCC)	C(CBCP)(H)3	P(CC[6a]HH)(CBCC)(CC3)	C(BH3)(CH3)2(PCC)	C(CBCP)(H)3	P(CC[6a]HH)(CBCC)(CC3)	110.8285	5.030	2	110.8285	25.297	2	110.8285	25.297	2	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	B-4:C-4:C-4:	C(CH3)3(PBC)	C(CCCP)(H)3	P(BC[5]CC)(CC3)2	C(CH3)3(PBC)	C(CCCP)(H)3	P(BC[5]CC)(CC3)2	110.5912	4.836	6	110.5912	23.387	6	110.5912	23.387	6	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CBHH)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CBHH)(CC3)2	110.4095	3.693	24	110.4095	13.640	24	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)2(CH3)	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)2(CH3)	110.4230	3.504	41	110.4230	12.275	41	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)3	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC3)3	110.4577	2.452	63	110.4577	6.011	63	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CCHH)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CCHH)(CC3)2	110.1427	4.545	150	110.1427	20.659	150	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[5]HH)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[5]HH)(CC3)2	109.8682	7.097	6	109.8682	50.364	6	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[5a]HH)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[5a]HH)(CC3)2	110.3849	4.890	30	110.3849	23.914	30	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[6]HH)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[6]HH)(CC3)2	110.3351	5.049	24	110.3351	25.490	24	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[6a]2O)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[6a]2O)(CC3)2	110.8615	5.748	6	110.8615	33.036	6	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[6a]HH)(CBCC)(CC3)	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[6a]HH)(CBCC)(CC3)	110.7653	2.821	3	110.7653	7.960	3	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[6a]HH)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CC[6a]HH)(CC3)2	110.2044	5.280	30	110.2044	27.877	30	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CHHN)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CHHN)(CC3)2	110.2467	5.872	11	110.2467	34.479	11	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CHHP)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CHHP)(CC3)2	110.3273	5.306	12	110.3273	28.155	12	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:C-4:C-4:	C(CH3)3(PCC)	C(CCCP)(H)3	P(CN[5]HH)(CC3)2	C(CH3)3(PCC)	C(CCCP)(H)3	P(CN[5]HH)(CC3)2	110.1745	5.452	6	110.1745	29.727	6	110.2894	18.741	406	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	C-4:P-4:P-4:	C(CH3)3(PPP)	C(CCCP)(H)3	P(CC3)(PC3)2	C(CH3)3(PPP)	C(CCCP)(H)3	P(CC3)(PC3)2	108.9533	6.243	3	108.9533	38.981	3	108.9533	38.981	3	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238
490	490	945	0:SP3_SP3_SP3	C	C	P	4:4:4:3:	4:1:1:1:	4:4:4:	C-4:C-4:C-4:P-3:	C-4:H-1:H-1:H-1:	P-4:P-4:C-4:	C(CH3)3(PPP)	C(CCCP)(H)3	P(PCHW)2(CC3)	C(CH3)3(PPP)	C(CCCP)(H)3	P(PCHW)2(CC3)	110.8195	6.741	2	110.8195	45.439	2	110.8195	45.439	2	110.2893	18.811	419	110.9289	19.005	2238	110.9289	19.005	2238