data_1wo0_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1wo0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.366 0.603 . . . . 6.1299999999999999 110.144 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -146.1 142.83 28.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.641 -0.662 . . . . 5.5499999999999998 109.584 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 66.6 m -87.21 165.61 15.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.446 -0.784 . . . . 0.66000000000000003 110.439 -179.967 -57.843 -100.092 109.278 103.842 2.019 104.301 -81.953 -69.192 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.456 ' HE2' ' HB2' ' A' ' 17' ' ' ARG . 25.0 p90 -161.11 158.17 27.2 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.657 -0.652 . . . . 2.1600000000000001 110.542 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HG3' ' HG2' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -90.9 127.38 36.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.599 -0.688 . . . . 5.0499999999999998 109.444 179.199 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.518 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -127.73 162.13 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.438 -0.789 . . . . 1.1699999999999999 109.933 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 93.6 m -133.15 176.03 8.86 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.335 -0.853 . . . . 0.22 111.255 -179.721 -69.981 -87.146 110.924 104.382 2.022 104.006 -90.157 -65.585 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -161.64 -139.3 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.849 -0.532 . . . . 2.0600000000000001 109.629 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -59.32 79.75 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.423 -0.798 . . . . 2.75 111.652 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 58.51 27.52 61.13 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.938 -1.265 . . . . 0.28999999999999998 109.938 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.468 HG21 HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -141.16 133.72 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.464 -1.021 . . . . 1.01 110.913 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.629 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 99.3 m -120.69 164.65 16.23 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.191 -0.943 . . . . 0.14999999999999999 110.644 179.3 -65.585 -90.157 110.924 104.006 2.022 104.382 -87.146 -69.981 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.518 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -162.06 -176.38 5.14 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.264 0.554 . . . . 2.02 110.502 -179.554 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.463 ' HG2' ' HG3' ' A' ' 5' ' ' ARG . 18.6 mtm180 -127.69 100.37 5.94 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.886 -0.783 . . . . 3.5299999999999998 108.886 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.6 148.38 23.34 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.52 -0.738 . . . . 3.8999999999999999 111.574 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 97.5 m -113.65 115.1 27.36 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.816 -0.552 . . . . 0.92000000000000004 110.038 179.516 -69.192 -81.953 109.278 104.301 2.019 103.842 -100.092 -57.843 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' HB2' ' HE2' ' A' ' 4' ' ' PHE . 42.1 mtp180 -112.32 117.84 33.6 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.41 -0.806 . . . . 4.9000000000000004 110.083 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.872 -1.767 . . . . 1.73 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.366 0.603 . . . . 5.62 110.144 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -146.1 142.83 28.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.641 -0.662 . . . . 4.67 109.584 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 66.6 m -87.21 165.61 15.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.446 -0.784 . . . . 0.66 110.439 -179.967 -57.843 -100.092 109.278 103.842 2.019 104.301 -81.953 -69.192 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CD1' HG22 ' A' ' 6' ' ' VAL . 25.0 p90 -161.11 158.17 27.2 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.657 -0.652 . . . . 1.25 110.542 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HG3' ' HG2' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -90.9 127.38 36.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.599 -0.688 . . . . 4.28 109.444 179.199 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.543 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -127.73 162.13 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.438 -0.789 . . . . 0.4 109.933 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 93.6 m -133.15 176.03 8.86 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.335 -0.853 . . . . 0.21 111.255 -179.721 -69.981 -87.146 110.924 104.382 2.022 104.006 -90.157 -65.585 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -161.64 -139.3 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.849 -0.532 . . . . 1.21 109.629 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -59.32 79.75 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.423 -0.798 . . . . 2.22 111.652 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 58.51 27.52 61.13 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.938 -1.265 . . . . 0.26 109.938 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.629 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -141.16 133.72 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.464 -1.021 . . . . 0.21 110.913 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.629 ' N ' HD13 ' A' ' 11' ' ' ILE . 99.3 m -120.69 164.65 16.23 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.191 -0.943 . . . . 0.15 110.644 179.3 -65.585 -90.157 110.924 104.006 2.022 104.382 -87.146 -69.981 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -162.06 -176.38 5.14 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.264 0.554 . . . . 1.16 110.502 -179.554 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' HG2' ' HG3' ' A' ' 5' ' ' ARG . 18.6 mtm180 -127.69 100.37 5.94 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.886 -0.783 . . . . 2.9 108.886 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.6 148.38 23.34 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.52 -0.738 . . . . 3.3 111.574 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 97.5 m -113.65 115.1 27.36 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.816 -0.552 . . . . 0.77 110.038 179.516 -69.192 -81.953 109.278 104.301 2.019 103.842 -100.092 -57.843 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HB2' ' HE2' ' A' ' 4' ' ' PHE . 42.1 mtp180 -112.32 117.84 33.6 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.41 -0.806 . . . . 4.27 110.083 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.872 -1.767 . . . . 1.36 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 121.366 0.603 . . . . 5.6200000000000001 110.144 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -146.1 142.83 28.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.641 -0.662 . . . . 4.6699999999999999 109.584 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 66.6 m -87.21 165.61 15.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.446 -0.784 . . . . 0.66000000000000003 110.439 -179.967 -57.843 -100.092 109.278 103.842 2.019 104.301 -81.953 -69.192 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.463 ' CD1' HG22 ' A' ' 6' ' ' VAL . 25.0 p90 -161.11 158.17 27.2 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.657 -0.652 . . . . 1.25 110.542 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HG3' ' HG2' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -90.9 127.38 36.36 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.599 -0.688 . . . . 4.2800000000000002 109.444 179.199 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.543 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -127.73 162.13 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.438 -0.789 . . . . 0.40000000000000002 109.933 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 93.6 m -133.15 176.03 8.86 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.335 -0.853 . . . . 0.20999999999999999 111.255 -179.721 -69.981 -87.146 110.924 104.382 2.022 104.006 -90.157 -65.585 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 10' ' ' GLY . 1.0 OUTLIER -161.64 -139.3 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.849 -0.532 . . . . 1.21 109.629 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -59.32 79.75 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.369 0 O-C-N 121.423 -0.798 . . . . 2.2200000000000002 111.652 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' TYR . . . 58.51 27.52 61.13 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.938 -1.265 . . . . 0.26000000000000001 109.938 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.629 HD13 ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -141.16 133.72 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.464 -1.021 . . . . 0.20999999999999999 110.913 -179.396 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.629 ' N ' HD13 ' A' ' 11' ' ' ILE . 99.3 m -120.69 164.65 16.23 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.191 -0.943 . . . . 0.14999999999999999 110.644 179.3 -65.585 -90.157 110.924 104.006 2.022 104.382 -87.146 -69.981 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CE1' ' HB ' ' A' ' 6' ' ' VAL . 0.8 OUTLIER -162.06 -176.38 5.14 Favored 'General case' 0 N--CA 1.499 1.996 0 CA-C-O 121.264 0.554 . . . . 1.1599999999999999 110.502 -179.554 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' HG2' ' HG3' ' A' ' 5' ' ' ARG . 18.6 mtm180 -127.69 100.37 5.94 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 108.886 -0.783 . . . . 2.8999999999999999 108.886 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -97.6 148.38 23.34 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.52 -0.738 . . . . 3.2999999999999998 111.574 -178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 97.5 m -113.65 115.1 27.36 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.816 -0.552 . . . . 0.77000000000000002 110.038 179.516 -69.192 -81.953 109.278 104.301 2.019 103.842 -100.092 -57.843 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.455 ' HB2' ' HE2' ' A' ' 4' ' ' PHE . 42.1 mtp180 -112.32 117.84 33.6 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.41 -0.806 . . . . 4.2699999999999996 110.083 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.872 -1.767 . . . . 1.3600000000000001 . . . . . . . . . . 0 0 . 1 stop_ save_