# 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 CAB CAB '4-CARBOXY-4-AMINOBUTANAL ' non-polymer 18 9 M # data_comp_CAB # 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 CAB C1 C . 0.000 CAB C2 C . 0.000 CAB C3 C . 0.000 CAB C4 C . 0.000 CAB 'C4'' C . 0.000 CAB N4 N . 0.000 CAB O1 O . 0.000 CAB 'O1'' O . 0.000 CAB 'O2'' O . 0.000 CAB H1 H . 0.000 CAB H21 H . 0.000 CAB H22 H . 0.000 CAB H31 H . 0.000 CAB H32 H . 0.000 CAB H4 H . 0.000 CAB HN41 H . 0.000 CAB HN42 H . 0.000 CAB HO2 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 CAB C1 C2 single CAB C1 O1 double CAB C1 H1 single CAB C2 C3 single CAB C2 H21 single CAB C2 H22 single CAB C3 C4 single CAB C3 H31 single CAB C3 H32 single CAB C4 N4 single CAB C4 'C4'' single CAB C4 H4 single CAB 'C4'' 'O1'' double CAB 'C4'' 'O2'' single CAB N4 HN41 single CAB N4 HN42 single CAB 'O2'' HO2 single