# 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 DHP DHP '3-DECYL-2,5-DIOXO-4-HYDROXY-3-PYRROL' non-polymer 41 18 M # data_comp_DHP # 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 DHP N1 N . 0.000 DHP C1 C . 0.000 DHP O3 O . 0.000 DHP C2 C . 0.000 DHP O2 O . 0.000 DHP C3 C . 0.000 DHP O1 O . 0.000 DHP C4 C . 0.000 DHP C5 C . 0.000 DHP C6 C . 0.000 DHP C7 C . 0.000 DHP C8 C . 0.000 DHP C9 C . 0.000 DHP C10 C . 0.000 DHP C11 C . 0.000 DHP C12 C . 0.000 DHP C13 C . 0.000 DHP C14 C . 0.000 DHP HN1 H . 0.000 DHP HO3 H . 0.000 DHP H51 H . 0.000 DHP H52 H . 0.000 DHP H61 H . 0.000 DHP H62 H . 0.000 DHP H71 H . 0.000 DHP H72 H . 0.000 DHP H81 H . 0.000 DHP H82 H . 0.000 DHP H91 H . 0.000 DHP H92 H . 0.000 DHP H101 H . 0.000 DHP H102 H . 0.000 DHP H111 H . 0.000 DHP H112 H . 0.000 DHP H121 H . 0.000 DHP H122 H . 0.000 DHP H131 H . 0.000 DHP H132 H . 0.000 DHP H141 H . 0.000 DHP H142 H . 0.000 DHP H143 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 DHP N1 C2 single DHP N1 C3 single DHP N1 HN1 single DHP C1 C2 single DHP C1 C4 double DHP C1 O3 single DHP O3 HO3 single DHP C2 O2 double DHP C3 C4 single DHP C3 O1 double DHP C4 C5 single DHP C5 C6 single DHP C5 H51 single DHP C5 H52 single DHP C6 C7 single DHP C6 H61 single DHP C6 H62 single DHP C7 C8 single DHP C7 H71 single DHP C7 H72 single DHP C8 C9 single DHP C8 H81 single DHP C8 H82 single DHP C9 C10 single DHP C9 H91 single DHP C9 H92 single DHP C10 C11 single DHP C10 H101 single DHP C10 H102 single DHP C11 C12 single DHP C11 H111 single DHP C11 H112 single DHP C12 C13 single DHP C12 H121 single DHP C12 H122 single DHP C13 C14 single DHP C13 H131 single DHP C13 H132 single DHP C14 H141 single DHP C14 H142 single DHP C14 H143 single