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
CUZ      CUZ '(MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ' non-polymer         5   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CUZ
#
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
 CUZ           CU1    CU   CU        0.000    109.445   32.490   -5.787
 CUZ           S1     S    ST        0.000    109.822   34.742   -5.721
 CUZ           CU2    CU   CU        0.000    112.056   34.438   -5.106
 CUZ           CU3    CU   CU        0.000    110.644   34.065   -8.097
 CUZ           CU4    CU   CU        0.000    108.226   33.930   -7.437
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
 CUZ      CU1    n/a    S1     START
 CUZ      S1     CU1    CU4    .
 CUZ      CU2    S1     .      .
 CUZ      CU3    S1     .      .
 CUZ      CU4    S1     .      END
 CUZ      CU1    CU3    .    ADD
 CUZ      CU1    CU4    .    ADD
 CUZ      CU2    CU3    .    ADD
 CUZ      CU2    CU4    .    ADD
 CUZ      CU3    CU4    .    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
 CUZ      CU1    CU3       single      2.750    0.020
 CUZ      CU1    CU4       single      2.750    0.020
 CUZ      S1     CU1       single      2.275    0.020
 CUZ      CU2    CU3       single      2.750    0.020
 CUZ      CU2    CU4       single      2.750    0.020
 CUZ      CU2    S1        single      2.275    0.020
 CUZ      CU3    CU4       single      2.750    0.020
 CUZ      CU3    S1        single      2.275    0.020
 CUZ      CU4    S1        single      2.275    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
 CUZ      CU3    CU1    CU4      60.000    3.000
 CUZ      S1     CU1    CU3      52.815    3.000
 CUZ      S1     CU1    CU4      52.815    3.000
 CUZ      CU1    S1     CU2     109.500    3.000
 CUZ      CU1    S1     CU3      74.371    3.000
 CUZ      CU1    S1     CU4      74.371    3.000
 CUZ      CU2    S1     CU3      74.371    3.000
 CUZ      CU2    S1     CU4      74.371    3.000
 CUZ      CU3    S1     CU4      74.371    3.000
 CUZ      S1     CU2    CU3      52.815    3.000
 CUZ      S1     CU2    CU4      52.815    3.000
 CUZ      CU3    CU2    CU4      60.000    3.000
 CUZ      S1     CU3    CU1      52.815    3.000
 CUZ      S1     CU3    CU2      52.815    3.000
 CUZ      S1     CU3    CU4      52.815    3.000
 CUZ      CU1    CU3    CU2      90.000    3.000
 CUZ      CU1    CU3    CU4      60.000    3.000
 CUZ      CU2    CU3    CU4      60.000    3.000
 CUZ      S1     CU4    CU1      52.815    3.000
 CUZ      S1     CU4    CU2      52.815    3.000
 CUZ      S1     CU4    CU3      52.815    3.000
 CUZ      CU1    CU4    CU2      90.000    3.000
 CUZ      CU1    CU4    CU3      60.000    3.000
 CUZ      CU2    CU4    CU3      60.000    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
 CUZ      var_1    CU1    S1     CU2    CU3       76.386   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 CUZ      chir_01  S1     CU1    CU2    CU3       negativ
# ------------------------------------------------------
