# 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 5PV 5PV '5-PHENYLVALERIC ACID ' non-polymer 27 13 M # data_comp_5PV # 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 5PV C1 C . 0.000 5PV C2 C . 0.000 5PV C3 C . 0.000 5PV C4 C . 0.000 5PV C5 C . 0.000 5PV C6 C . 0.000 5PV C7 C . 0.000 5PV C8 C . 0.000 5PV C9 C . 0.000 5PV C10 C . 0.000 5PV C11 C . 0.000 5PV O1 O . 0.000 5PV O2 O . 0.000 5PV H71 H . 0.000 5PV H72 H . 0.000 5PV H81 H . 0.000 5PV H82 H . 0.000 5PV H91 H . 0.000 5PV H92 H . 0.000 5PV H101 H . 0.000 5PV H102 H . 0.000 5PV HO1 H . 0.000 5PV H2 H . 0.000 5PV H3 H . 0.000 5PV H4 H . 0.000 5PV H5 H . 0.000 5PV H6 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 5PV C1 C2 double 5PV C1 C6 single 5PV C1 C7 single 5PV C2 C3 single 5PV C2 H2 single 5PV C3 C4 double 5PV C3 H3 single 5PV C4 C5 single 5PV C4 H4 single 5PV C5 C6 double 5PV C5 H5 single 5PV C6 H6 single 5PV C7 C8 single 5PV C7 H71 single 5PV C7 H72 single 5PV C8 C9 single 5PV C8 H81 single 5PV C8 H82 single 5PV C9 C10 single 5PV C9 H91 single 5PV C9 H92 single 5PV C10 C11 single 5PV C10 H101 single 5PV C10 H102 single 5PV C11 O1 single 5PV C11 O2 double 5PV O1 HO1 single