# 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 NBU NBU 'N-BUTANE ' non-polymer 14 4 M # data_comp_NBU # 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 NBU C1 C . 0.000 NBU C2 C . 0.000 NBU C3 C . 0.000 NBU C4 C . 0.000 NBU H11 H . 0.000 NBU H12 H . 0.000 NBU H13 H . 0.000 NBU H21 H . 0.000 NBU H22 H . 0.000 NBU H31 H . 0.000 NBU H32 H . 0.000 NBU H41 H . 0.000 NBU H42 H . 0.000 NBU 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 NBU C1 C2 single NBU C1 H11 single NBU C1 H12 single NBU C1 H13 single NBU C2 C3 single NBU C2 H21 single NBU C2 H22 single NBU C3 C4 single NBU C3 H31 single NBU C3 H32 single NBU C4 H41 single NBU C4 H42 single NBU C4 H43 single