#
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