#
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
_chem_comp.initial_date
_chem_comp.modified_date
_chem_comp.source
FEO   FEO 'Mu-oxo-diiron' non-polymer     3   3 .
2009-04-10 2009-04-13
;
Generated using eLBOW with both the Chemical Components and
Monomer Library entry for the ligand as input.
;
#
data_comp_FEO
#
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
 FEO           FE1    FE   FE        0.000
 FEO           O      O    O         0.000
 FEO           FE2    FE   FE        0.000
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
 FEO      O      FE1       single      1.800    0.020
 FEO      FE2    O         single      1.800    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
 FEO      FE1    O      FE2     118.000    3.000
