# 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 HRI HRI 'ALPHA-CHLOROISOCAPROIC ACID ' non-polymer 20 9 M # data_comp_HRI # 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 HRI CZ C . 0.000 HRI CH1 C . 0.000 HRI CF1 C . 0.000 HRI CI1 C . 0.000 HRI CI2 C . 0.000 HRI CH2 C . 0.000 HRI OF2 O . 0.000 HRI OF3 O . 0.000 HRI CL CL . 0.000 HRI HOF3 H . 0.000 HRI HCZ H . 0.000 HRI HCH1 H . 0.000 HRI HCH2 H . 0.000 HRI HCF1 H . 0.000 HRI HI11 H . 0.000 HRI HI12 H . 0.000 HRI HI13 H . 0.000 HRI HI21 H . 0.000 HRI HI22 H . 0.000 HRI HI23 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 HRI CZ CH1 single HRI CZ CH2 single HRI CZ HCZ single HRI CZ CL single HRI CH1 CF1 single HRI CH1 HCH1 single HRI CH1 HCH2 single HRI CF1 CI1 single HRI CF1 CI2 single HRI CF1 HCF1 single HRI CI1 HI11 single HRI CI1 HI12 single HRI CI1 HI13 single HRI CI2 HI21 single HRI CI2 HI22 single HRI CI2 HI23 single HRI CH2 OF2 double HRI CH2 OF3 single HRI OF3 HOF3 single