# 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 COI COI '2-OXO-4-METHYLPENTANOIC ACID ' non-polymer 19 9 M # data_comp_COI # 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 COI C1 C . 0.000 COI O1 O . 0.000 COI O2 O . 0.000 COI C2 C . 0.000 COI O3 O . 0.000 COI C3 C . 0.000 COI C4 C . 0.000 COI C5 C . 0.000 COI C6 C . 0.000 COI HO2 H . 0.000 COI H31 H . 0.000 COI H32 H . 0.000 COI H4 H . 0.000 COI H51 H . 0.000 COI H52 H . 0.000 COI H53 H . 0.000 COI H61 H . 0.000 COI H62 H . 0.000 COI H63 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 COI C1 C2 single COI C1 O1 double COI C1 O2 single COI O2 HO2 single COI C2 C3 single COI C2 O3 double COI C3 C4 single COI C3 H31 single COI C3 H32 single COI C4 C5 single COI C4 C6 single COI C4 H4 single COI C5 H51 single COI C5 H52 single COI C5 H53 single COI C6 H61 single COI C6 H62 single COI C6 H63 single