#
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
1CU      1CU 'COPPER ION, 1 WATER COORDINATED     ' non-polymer         4   2 M
#
data_comp_1CU
#
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
 1CU           CU     CU   .         2.000
 1CU           O1     O    .         0.000
 1CU           HO11   H    .         0.000
 1CU           HO12   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
 1CU        CU     O1        single
 1CU        O1     HO11      single
 1CU        O1     HO12      single