# 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 MCE MCE 'CHLOROETHYL GROUP ' non-polymer 7 3 M # data_comp_MCE # 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 MCE C1 C . 0.000 MCE C2 C . 0.000 MCE CL CL . 0.000 MCE H11 H . 0.000 MCE H12 H . 0.000 MCE H21 H . 0.000 MCE H22 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 MCE C1 C2 single MCE C1 H11 single MCE C1 H12 single MCE C2 CL single MCE C2 H21 single MCE C2 H22 single