# 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 PTH PTH 'CE1-METHYLENE-HYDROXY-PHOSPHOTYROSIN' non-polymer 33 19 M # data_comp_PTH # 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 PTH N N . 0.000 PTH CA C . 0.000 PTH C C . 0.000 PTH O O . 0.000 PTH OXT O . 0.000 PTH CB C . 0.000 PTH CG C . 0.000 PTH CD1 C . 0.000 PTH CD2 C . 0.000 PTH CE1 C . 0.000 PTH CE2 C . 0.000 PTH CZ C . 0.000 PTH CF C . 0.000 PTH OH O . 0.000 PTH P P . 0.000 PTH O1P O . 0.000 PTH O2P O . 0.000 PTH O3P O . 0.000 PTH OF O . 0.000 PTH HN1 H . 0.000 PTH HN2 H . 0.000 PTH HA H . 0.000 PTH HB1 H . 0.000 PTH HB2 H . 0.000 PTH HD1 H . 0.000 PTH HD2 H . 0.000 PTH HF1 H . 0.000 PTH HF2 H . 0.000 PTH HOF H . 0.000 PTH HE2 H . 0.000 PTH HXT H . 0.000 PTH PHO2 H . 0.000 PTH PHO3 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 PTH N CA single PTH N HN1 single PTH N HN2 single PTH CA CB single PTH CA C single PTH CA HA single PTH C O double PTH C OXT single PTH OXT HXT single PTH CB CG single PTH CB HB1 single PTH CB HB2 single PTH CG CD1 double PTH CG CD2 single PTH CD1 CE1 single PTH CD1 HD1 single PTH CD2 CE2 double PTH CD2 HD2 single PTH CE1 CZ double PTH CE1 CF single PTH CE2 CZ single PTH CE2 HE2 single PTH CZ OH single PTH CF OF single PTH CF HF1 single PTH CF HF2 single PTH OH P single PTH P O1P double PTH P O2P single PTH P O3P single PTH O2P PHO2 single PTH O3P PHO3 single PTH OF HOF single