global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
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
CUO      CUO 'CU2-O2 CLUSTER                      ' non-polymer         4   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CUO
#
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
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 CUO           O1     O    O2        0.000      0.000    0.681   -0.630
 CUO           CU2    CU   CU        0.000     -1.061   -0.172    0.000
 CUO           O2     O    O2        0.000      0.000    0.682    0.630
 CUO           CU1    CU   CU        0.000      1.061   -0.172    0.000
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 CUO      O1     n/a    CU2    START
 CUO      CU2    O1     O2     .
 CUO      O2     CU2    CU1    .
 CUO      CU1    O2     .      END
 CUO      CU1    O1     .    ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 CUO      CU1    O1        single      2.010    0.020
 CUO      CU1    O2        single      2.010    0.020
 CUO      CU2    O1        single      2.010    0.020
 CUO      O2     CU2       single      2.010    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 CUO      CU2    O1     CU1     120.000    3.000
 CUO      O1     CU2    O2       90.000    3.000
 CUO      CU2    O2     CU1     120.000    3.000
 CUO      O2     CU1    O1       90.000    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 CUO      var_1    O1     CU2    O2     CU1      -62.415   20.000   1
 CUO      var_2    CU2    O2     CU1    O1        62.415   20.000   1
 CUO      var_3    O2     CU1    O1     CU2      -62.457   20.000   1
# ------------------------------------------------------
