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
FCO      FCO 'CARBONMONOXIDE-(DICYANO) IRON       ' non-polymer         7   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FCO
#
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
 FCO           O3     O    O         0.000      0.000    0.000    0.000
 FCO           C3     C    CSP       0.000     -1.190    0.000    0.210
 FCO           FE     FE   FE        0.000     -2.847    0.000    0.504
 FCO           C1     C    CSP       0.000     -4.757    0.000    0.843
 FCO           N1     N    NS        0.000     -5.875    0.000    1.041
 FCO           C2     C    CSP       0.000     -3.186    0.000   -1.405
 FCO           N2     N    NS        0.000     -3.384    0.000   -2.524
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
 FCO      O3     n/a    C3     START
 FCO      C3     O3     FE     .
 FCO      FE     C3     C2     .
 FCO      C1     FE     N1     .
 FCO      N1     C1     .      .
 FCO      C2     FE     N2     .
 FCO      N2     C2     .      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
 FCO      C1     FE        single      1.825    0.020
 FCO      C2     FE        single      1.825    0.020
 FCO      FE     C3        double      1.825    0.020
 FCO      N1     C1        triple      1.158    0.020
 FCO      N2     C2        triple      1.158    0.020
 FCO      C3     O3        double      1.130    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
 FCO      O3     C3     FE      180.000    3.000
 FCO      C3     FE     C1      180.000    3.000
 FCO      C3     FE     C2       90.000    3.000
 FCO      C1     FE     C2       90.000    3.000
 FCO      FE     C1     N1      180.000    3.000
 FCO      FE     C2     N2      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
 FCO      var_1    O3     C3     FE     C1       180.000   20.000   1
 FCO      var_2    N1     C1     FE     C3       180.000   20.000   1
 FCO      var_3    N2     C2     FE     C3       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
 FCO      chir_01  FE     C3     C1     C2        cross1
# ------------------------------------------------------
