# 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 PGU PGU '4-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer 44 25 M # data_comp_PGU # 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 PGU N1 N . 0.000 PGU C2 C . 0.000 PGU C2A C . 0.000 PGU C3 C . 0.000 PGU O3 O . 0.000 PGU C4 C . 0.000 PGU C4A C . 0.000 PGU C5 C . 0.000 PGU C6 C . 0.000 PGU C5A C . 0.000 PGU O4P O . 0.000 PGU P P . 0.000 PGU O1P O . 0.000 PGU O2P O . 0.000 PGU O3P O . 0.000 PGU N N . 0.000 PGU CA C . 0.000 PGU CB C . 0.000 PGU CG C . 0.000 PGU CD C . 0.000 PGU OE1 O . 0.000 PGU OE2 O . 0.000 PGU C C . 0.000 PGU O O . 0.000 PGU OXT O . 0.000 PGU H2A1 H . 0.000 PGU H2A2 H . 0.000 PGU H2A3 H . 0.000 PGU HO3 H . 0.000 PGU H4A1 H . 0.000 PGU H4A2 H . 0.000 PGU H5A1 H . 0.000 PGU H5A2 H . 0.000 PGU H6 H . 0.000 PGU HOP2 H . 0.000 PGU HOP3 H . 0.000 PGU HN H . 0.000 PGU HA H . 0.000 PGU HB1 H . 0.000 PGU HB2 H . 0.000 PGU HG1 H . 0.000 PGU HG2 H . 0.000 PGU HOE H . 0.000 PGU 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 PGU N1 C2 double PGU N1 C6 single PGU C2 C2A single PGU C2 C3 single PGU C2A H2A1 single PGU C2A H2A2 single PGU C2A H2A3 single PGU C3 O3 single PGU C3 C4 double PGU O3 HO3 single PGU C4 C4A single PGU C4 C5 single PGU C4A N single PGU C4A H4A1 single PGU C4A H4A2 single PGU C5 C6 double PGU C5 C5A single PGU C6 H6 single PGU C5A O4P single PGU C5A H5A1 single PGU C5A H5A2 single PGU O4P P single PGU P O1P double PGU P O2P single PGU P O3P single PGU O2P HOP2 single PGU O3P HOP3 single PGU N CA single PGU N HN single PGU CA CB single PGU CA C single PGU CA HA single PGU CB CG single PGU CB HB1 single PGU CB HB2 single PGU CG CD single PGU CG HG1 single PGU CG HG2 single PGU CD OE1 double PGU CD OE2 single PGU OE2 HOE single PGU C O double PGU C OXT single PGU OXT HXT single