# 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 MDH MDH 'N-METHYLDEHYDROBUTYRINE ' non-polymer 17 8 M # data_comp_MDH # 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 MDH N N . 0.000 MDH CM C . 0.000 MDH CA C . 0.000 MDH C C . 0.000 MDH O O . 0.000 MDH OXT O . 0.000 MDH CB C . 0.000 MDH CG C . 0.000 MDH HN H . 0.000 MDH HM1 H . 0.000 MDH HM2 H . 0.000 MDH HM3 H . 0.000 MDH HXT H . 0.000 MDH HB H . 0.000 MDH HG1 H . 0.000 MDH HG2 H . 0.000 MDH HG3 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 MDH N CA single MDH N CM single MDH N HN single MDH CM HM1 single MDH CM HM2 single MDH CM HM3 single MDH CA CB double MDH CA C single MDH C O double MDH C OXT single MDH OXT HXT single MDH CB CG single MDH CB HB single MDH CG HG1 single MDH CG HG2 single MDH CG HG3 single