# 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 HBA HBA 'P-HYDROXYBENZALDEHYDE ' non-polymer 15 9 M # data_comp_HBA # 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 HBA 'C1'' C . 0.000 HBA 'O1'' O . 0.000 HBA C1 C . 0.000 HBA C2 C . 0.000 HBA C3 C . 0.000 HBA C4 C . 0.000 HBA C5 C . 0.000 HBA C6 C . 0.000 HBA O4 O . 0.000 HBA H2 H . 0.000 HBA H3 H . 0.000 HBA H5 H . 0.000 HBA H6 H . 0.000 HBA HO4 H . 0.000 HBA 'H1'' 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 HBA 'C1'' C1 single HBA 'C1'' 'O1'' double HBA 'C1'' 'H1'' single HBA C1 C6 double HBA C1 C2 single HBA C2 C3 double HBA C2 H2 single HBA C3 C4 single HBA C3 H3 single HBA C4 C5 double HBA C4 O4 single HBA C5 C6 single HBA C5 H5 single HBA C6 H6 single HBA O4 HO4 single