# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level MOH . 'Methanol ' non-polymer 6 2 . # data_comp_MOH # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge MOH CH3 C CH3 0.000 MOH HH31 H HCH3 0.000 MOH HH32 H HCH3 0.000 MOH HH33 H HCH3 0.000 MOH OH O OH1 0.000 MOH HOH H HOH1 0.000 loop_ _chem_comp_tree.comp_id _chem_comp_tree.atom_id _chem_comp_tree.atom_back _chem_comp_tree.atom_forward _chem_comp_tree.connect_type MOH CH3 n/a OH START MOH HH31 CH3 . . MOH HH32 CH3 . . MOH HH33 CH3 . . MOH OH CH3 HOH . MOH HOH OH . END loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd MOH OH CH3 coval 1.450 0.020 MOH HH31 CH3 coval 1.090 0.020 MOH HH32 CH3 coval 1.090 0.020 MOH HH33 CH3 coval 1.090 0.020 MOH HOH OH coval 0.980 0.020 loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd MOH HH31 CH3 HH32 109.470 3.000 MOH HH32 CH3 HH33 109.470 3.000 MOH HH33 CH3 OH 109.470 3.000 MOH CH3 OH HOH 109.470 3.000