# 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 TPH TPH '2-AMINO-3-PHENYL-PROPANE-1,1-DIOL GR' non-polymer 24 12 M # data_comp_TPH # 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 TPH N N . 0.000 TPH CA C . 0.000 TPH C C . 0.000 TPH O1 O . 0.000 TPH O2 O . 0.000 TPH CB C . 0.000 TPH CG C . 0.000 TPH CD1 C . 0.000 TPH CD2 C . 0.000 TPH CE1 C . 0.000 TPH CE2 C . 0.000 TPH CZ C . 0.000 TPH NH1 H . 0.000 TPH NH2 H . 0.000 TPH HA H . 0.000 TPH HO1 H . 0.000 TPH HO2 H . 0.000 TPH HB1 H . 0.000 TPH HB2 H . 0.000 TPH HD1 H . 0.000 TPH HD2 H . 0.000 TPH HE1 H . 0.000 TPH HE2 H . 0.000 TPH HZ 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 TPH N CA single TPH N NH1 single TPH N NH2 single TPH CA C single TPH CA CB single TPH CA HA single TPH C O1 single TPH C O2 single TPH O1 HO1 single TPH O2 HO2 single TPH CB CG single TPH CB HB1 single TPH CB HB2 single TPH CG CD1 double TPH CG CD2 single TPH CD1 CE1 single TPH CD1 HD1 single TPH CD2 CE2 double TPH CD2 HD2 single TPH CE1 CZ double TPH CE1 HE1 single TPH CE2 CZ single TPH CE2 HE2 single TPH CZ HZ single