# 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 BUT BUT 'BUTYL GROUP ' non-polymer 13 4 M # data_comp_BUT # 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 BUT C1 C . 0.000 BUT C2 C . 0.000 BUT C3 C . 0.000 BUT C4 C . 0.000 BUT H11 H . 0.000 BUT H12 H . 0.000 BUT H21 H . 0.000 BUT H22 H . 0.000 BUT H31 H . 0.000 BUT H32 H . 0.000 BUT H41 H . 0.000 BUT H42 H . 0.000 BUT H43 H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type BUT C1 C2 single BUT C1 H11 single BUT C1 H12 single BUT C2 C3 single BUT C2 H21 single BUT C2 H22 single BUT C3 C4 single BUT C3 H31 single BUT C3 H32 single BUT C4 H41 single BUT C4 H42 single BUT C4 H43 single