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
FEA      FEA 'MONOAZIDO-MU-OXO-DIIRON             ' non-polymer         6   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FEA
#
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
 FEA           NC     N    NS       -1.000      0.000    0.000    0.000
 FEA           NB     N    N         1.000     -1.005    0.504    0.000
 FEA           NA     N    N         0.000     -2.010    1.008    0.000
 FEA           FE2    FE   FE        0.000     -3.579   -0.027    0.000
 FEA           O      O    O2        0.000     -5.074   -1.011    0.000
 FEA           FE1    FE   FE        0.000     -4.564   -2.727    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
 FEA      NC     n/a    NB     START
 FEA      NB     NC     NA     .
 FEA      NA     NB     FE2    .
 FEA      FE2    NA     O      .
 FEA      O      FE2    FE1    .
 FEA      FE1    O      .      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
 FEA      FE1    O         single      1.870    0.020
 FEA      O      FE2       single      1.870    0.020
 FEA      FE2    NA        single      1.855    0.020
 FEA      NA     NB        double      1.240    0.020
 FEA      NB     NC        double      1.295    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
 FEA      NC     NB     NA      120.000    3.000
 FEA      NB     NA     FE2     120.000    3.000
 FEA      NA     FE2    O       180.000    3.000
 FEA      FE2    O      FE1     120.000    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
 FEA      CONST_1  NC     NB     NA     FE2        0.000    0.000   0
 FEA      var_1    NB     NA     FE2    O        180.000   20.000   1
 FEA      var_2    FE1    O      FE2    NA       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
 FEA      chir_01  FE2    NA     O      .         cross0
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 FEA      plan-1    NA        0.020
 FEA      plan-1    FE2       0.020
 FEA      plan-1    NB        0.020
 FEA      plan-1    NC        0.020
# ------------------------------------------------------
