# 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 BUB BUB '1-BUTANE BORONIC ACID ' non-polymer 18 7 M # data_comp_BUB # 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 BUB C1 C . 0.000 BUB C2 C . 0.000 BUB C6 C . 0.000 BUB C9 C . 0.000 BUB B12 B . 0.000 BUB O15 O . 0.000 BUB O16 O . 0.000 BUB H11 H . 0.000 BUB H12 H . 0.000 BUB H13 H . 0.000 BUB H21 H . 0.000 BUB H22 H . 0.000 BUB H61 H . 0.000 BUB H62 H . 0.000 BUB H91 H . 0.000 BUB H92 H . 0.000 BUB HO15 H . 0.000 BUB HO16 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 BUB C1 C2 single BUB C1 H11 single BUB C1 H12 single BUB C1 H13 single BUB C2 C6 single BUB C2 H21 single BUB C2 H22 single BUB C6 C9 single BUB C6 H61 single BUB C6 H62 single BUB C9 B12 single BUB C9 H91 single BUB C9 H92 single BUB B12 O15 single BUB B12 O16 single BUB O15 HO15 single BUB O16 HO16 single