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
AUC      AUC 'GOLD (I) CYANIDE ION                ' non-polymer         5   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AUC
#
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
 AUC           N2     N    NS        0.000      0.000    0.000    0.000
 AUC           C2     C    CSP       0.000     -1.087    0.000   -0.331
 AUC           AU     AU   AU        0.000     -3.144    0.000   -0.957
 AUC           C1     C    CSP       0.000     -5.201    0.000   -1.583
 AUC           N1     N    NS        0.000     -6.287    0.000   -1.913
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
 AUC      N2     n/a    C2     START
 AUC      C2     N2     AU     .
 AUC      AU     C2     C1     .
 AUC      C1     AU     N1     .
 AUC      N1     C1     .      END
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
 AUC      C1     AU        single      2.150    0.020
 AUC      AU     C2        single      2.150    0.020
 AUC      N1     C1        triple      1.158    0.020
 AUC      C2     N2        triple      1.158    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
 AUC      N2     C2     AU      180.000    3.000
 AUC      C2     AU     C1      180.000    3.000
 AUC      AU     C1     N1      180.000    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
 AUC      var_1    N2     C2     AU     C1       180.000   20.000   1
 AUC      var_2    N1     C1     AU     C2       180.000   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
 AUC      chir_01  AU     C2     C1     .         cross0
# ------------------------------------------------------
