# 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 MOP MOP '4-METHYLPENTANAL ' non-polymer 19 7 M # data_comp_MOP # 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 MOP C1 C . 0.000 MOP O1 O . 0.000 MOP C2 C . 0.000 MOP C3 C . 0.000 MOP C4 C . 0.000 MOP C5 C . 0.000 MOP CM4 C . 0.000 MOP H1 H . 0.000 MOP H21 H . 0.000 MOP H22 H . 0.000 MOP H31 H . 0.000 MOP H32 H . 0.000 MOP H4 H . 0.000 MOP H51 H . 0.000 MOP H52 H . 0.000 MOP H53 H . 0.000 MOP HM41 H . 0.000 MOP HM42 H . 0.000 MOP HM43 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 MOP C1 C2 single MOP C1 O1 double MOP C1 H1 single MOP C2 C3 single MOP C2 H21 single MOP C2 H22 single MOP C3 C4 single MOP C3 H31 single MOP C3 H32 single MOP C4 C5 single MOP C4 CM4 single MOP C4 H4 single MOP C5 H51 single MOP C5 H52 single MOP C5 H53 single MOP CM4 HM41 single MOP CM4 HM42 single MOP CM4 HM43 single