# 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 PLA PLA '2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer 44 25 M # data_comp_PLA # 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 PLA N1 N . 0.000 PLA C2 C . 0.000 PLA C2A C . 0.000 PLA C3 C . 0.000 PLA O3 O . 0.000 PLA C4 C . 0.000 PLA C4A C . 0.000 PLA C5 C . 0.000 PLA C6 C . 0.000 PLA C5A C . 0.000 PLA O4P O . 0.000 PLA P P . 0.000 PLA O1P O . 0.000 PLA O2P O . 0.000 PLA O3P O . 0.000 PLA N N . 0.000 PLA CA C . 0.000 PLA CB1 C . 0.000 PLA CB2 C . 0.000 PLA CG C . 0.000 PLA OD1 O . 0.000 PLA OD2 O . 0.000 PLA C C . 0.000 PLA O O . 0.000 PLA OXT O . 0.000 PLA H2A1 H . 0.000 PLA H2A2 H . 0.000 PLA H2A3 H . 0.000 PLA HO3 H . 0.000 PLA H4A1 H . 0.000 PLA H4A2 H . 0.000 PLA H5A1 H . 0.000 PLA H5A2 H . 0.000 PLA H6 H . 0.000 PLA HOP2 H . 0.000 PLA HOP3 H . 0.000 PLA HN H . 0.000 PLA HB11 H . 0.000 PLA HB12 H . 0.000 PLA HB21 H . 0.000 PLA HB22 H . 0.000 PLA HB23 H . 0.000 PLA HOD H . 0.000 PLA 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 PLA N1 C2 double PLA N1 C6 single PLA C2 C2A single PLA C2 C3 single PLA C2A H2A1 single PLA C2A H2A2 single PLA C2A H2A3 single PLA C3 O3 single PLA C3 C4 double PLA O3 HO3 single PLA C4 C4A single PLA C4 C5 single PLA C4A N single PLA C4A H4A1 single PLA C4A H4A2 single PLA C5 C6 double PLA C5 C5A single PLA C6 H6 single PLA C5A O4P single PLA C5A H5A1 single PLA C5A H5A2 single PLA O4P P single PLA P O1P double PLA P O2P single PLA P O3P single PLA O2P HOP2 single PLA O3P HOP3 single PLA N CA single PLA N HN single PLA CA CB1 single PLA CA C single PLA CA CB2 single PLA CB1 CG single PLA CB1 HB11 single PLA CB1 HB12 single PLA CB2 HB21 single PLA CB2 HB22 single PLA CB2 HB23 single PLA CG OD1 double PLA CG OD2 single PLA OD2 HOD single PLA C O double PLA C OXT single PLA OXT HXT single