# 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 PLS PLS '[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYME' non-polymer 39 22 M # data_comp_PLS # 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 PLS N N . 0.000 PLS CA C . 0.000 PLS CB C . 0.000 PLS OG O . 0.000 PLS C C . 0.000 PLS O O . 0.000 PLS OXT O . 0.000 PLS N1 N . 0.000 PLS C2 C . 0.000 PLS C2A C . 0.000 PLS C3 C . 0.000 PLS O3 O . 0.000 PLS C4 C . 0.000 PLS C4A C . 0.000 PLS C5 C . 0.000 PLS C6 C . 0.000 PLS C5A C . 0.000 PLS O4P O . 0.000 PLS P P . 0.000 PLS O1P O . 0.000 PLS O2P O . 0.000 PLS O3P O . 0.000 PLS HN H . 0.000 PLS HA H . 0.000 PLS HB1 H . 0.000 PLS HB2 H . 0.000 PLS HOG H . 0.000 PLS HXT H . 0.000 PLS H2A1 H . 0.000 PLS H2A2 H . 0.000 PLS H2A3 H . 0.000 PLS HO3 H . 0.000 PLS H4A1 H . 0.000 PLS H4A2 H . 0.000 PLS H5A1 H . 0.000 PLS H5A2 H . 0.000 PLS H6 H . 0.000 PLS HOP2 H . 0.000 PLS HOP3 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 PLS N CA single PLS N C4A single PLS N HN single PLS CA CB single PLS CA C single PLS CA HA single PLS CB OG single PLS CB HB1 single PLS CB HB2 single PLS OG HOG single PLS C O double PLS C OXT single PLS OXT HXT single PLS N1 C2 double PLS N1 C6 single PLS C2 C2A single PLS C2 C3 single PLS C2A H2A1 single PLS C2A H2A2 single PLS C2A H2A3 single PLS C3 O3 single PLS C3 C4 double PLS O3 HO3 single PLS C4 C4A single PLS C4 C5 single PLS C4A H4A1 single PLS C4A H4A2 single PLS C5 C6 double PLS C5 C5A single PLS C6 H6 single PLS C5A O4P single PLS C5A H5A1 single PLS C5A H5A2 single PLS O4P P single PLS P O1P double PLS P O2P single PLS P O3P single PLS O2P HOP2 single PLS O3P HOP3 single