# 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 OTB OTB 'TERTIARY-BUTOXYFORMIC ACID ' non-polymer 18 8 M # data_comp_OTB # 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 OTB C C . 0.000 OTB O1 O . 0.000 OTB O2 O . 0.000 OTB O O . 0.000 OTB 'C'' C . 0.000 OTB C1 C . 0.000 OTB C2 C . 0.000 OTB C3 C . 0.000 OTB HO2 H . 0.000 OTB H11 H . 0.000 OTB H12 H . 0.000 OTB H13 H . 0.000 OTB H21 H . 0.000 OTB H22 H . 0.000 OTB H23 H . 0.000 OTB H31 H . 0.000 OTB H32 H . 0.000 OTB H33 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 OTB C O1 double OTB C O2 single OTB C O single OTB O2 HO2 single OTB O 'C'' single OTB 'C'' C1 single OTB 'C'' C2 single OTB 'C'' C3 single OTB C1 H11 single OTB C1 H12 single OTB C1 H13 single OTB C2 H21 single OTB C2 H22 single OTB C2 H23 single OTB C3 H31 single OTB C3 H32 single OTB C3 H33 single