# 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 IPM IPM '3-ISOPROPYLMALIC ACID ' non-polymer 24 12 M # data_comp_IPM # 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 IPM C1 C . 0.000 IPM C2 C . 0.000 IPM C3 C . 0.000 IPM C4 C . 0.000 IPM C5 C . 0.000 IPM C6 C . 0.000 IPM C7 C . 0.000 IPM O1 O . 0.000 IPM O2 O . 0.000 IPM O3 O . 0.000 IPM O4 O . 0.000 IPM O5 O . 0.000 IPM H2 H . 0.000 IPM H3 H . 0.000 IPM H5 H . 0.000 IPM H61 H . 0.000 IPM H62 H . 0.000 IPM H63 H . 0.000 IPM H71 H . 0.000 IPM H72 H . 0.000 IPM H73 H . 0.000 IPM HO1 H . 0.000 IPM HO2 H . 0.000 IPM HO5 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 IPM C1 C2 single IPM C1 O2 single IPM C1 O3 double IPM C2 C3 single IPM C2 O1 single IPM C2 H2 single IPM C3 C4 single IPM C3 C5 single IPM C3 H3 single IPM C4 O4 double IPM C4 O5 single IPM C5 C6 single IPM C5 C7 single IPM C5 H5 single IPM C6 H61 single IPM C6 H62 single IPM C6 H63 single IPM C7 H71 single IPM C7 H72 single IPM C7 H73 single IPM O1 HO1 single IPM O2 HO2 single IPM O5 HO5 single