# 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 SBU SBU 'SEC-BUTYL GROUP ' non-polymer 13 4 M # data_comp_SBU # 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 SBU C1 C . 0.000 SBU C2 C . 0.000 SBU C3 C . 0.000 SBU C4 C . 0.000 SBU H11 H . 0.000 SBU H12 H . 0.000 SBU H13 H . 0.000 SBU H2 H . 0.000 SBU H31 H . 0.000 SBU H32 H . 0.000 SBU H41 H . 0.000 SBU H42 H . 0.000 SBU 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 SBU C1 C2 single SBU C1 H11 single SBU C1 H12 single SBU C1 H13 single SBU C2 C3 single SBU C2 H2 single SBU C3 C4 single SBU C3 H31 single SBU C3 H32 single SBU C4 H41 single SBU C4 H42 single SBU C4 H43 single