# 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 PPD PPD '2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer 41 24 M # data_comp_PPD # 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 PPD N1 N . 0.000 PPD C2 C . 0.000 PPD C2A C . 0.000 PPD C3 C . 0.000 PPD O3 O . 0.000 PPD C4 C . 0.000 PPD C4A C . 0.000 PPD C5 C . 0.000 PPD C6 C . 0.000 PPD C5A C . 0.000 PPD O4P O . 0.000 PPD P P . 0.000 PPD O1P O . 0.000 PPD O2P O . 0.000 PPD O3P O . 0.000 PPD N N . 0.000 PPD CA C . 0.000 PPD CB C . 0.000 PPD CG C . 0.000 PPD OD1 O . 0.000 PPD OD2 O . 0.000 PPD C C . 0.000 PPD O O . 0.000 PPD OXT O . 0.000 PPD H2A1 H . 0.000 PPD H2A2 H . 0.000 PPD H2A3 H . 0.000 PPD HO3 H . 0.000 PPD H4A1 H . 0.000 PPD H4A2 H . 0.000 PPD H5A1 H . 0.000 PPD H5A2 H . 0.000 PPD H6 H . 0.000 PPD HOP2 H . 0.000 PPD HOP3 H . 0.000 PPD HN H . 0.000 PPD HA H . 0.000 PPD HB1 H . 0.000 PPD HB2 H . 0.000 PPD HOD H . 0.000 PPD HXT 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 PPD N1 C2 double PPD N1 C6 single PPD C2 C2A single PPD C2 C3 single PPD C2A H2A1 single PPD C2A H2A2 single PPD C2A H2A3 single PPD C3 O3 single PPD C3 C4 double PPD O3 HO3 single PPD C4 C4A single PPD C4 C5 single PPD C4A N single PPD C4A H4A1 single PPD C4A H4A2 single PPD C5 C6 double PPD C5 C5A single PPD C6 H6 single PPD C5A O4P single PPD C5A H5A1 single PPD C5A H5A2 single PPD O4P P single PPD P O1P double PPD P O2P single PPD P O3P single PPD O2P HOP2 single PPD O3P HOP3 single PPD N CA single PPD N HN single PPD CA CB single PPD CA C single PPD CA HA single PPD CB CG single PPD CB HB1 single PPD CB HB2 single PPD CG OD1 double PPD CG OD2 single PPD OD2 HOD single PPD C O double PPD C OXT single PPD OXT HXT single