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
REO      REO 'PERRHENATE                          ' non-polymer         5   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_REO
#
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
 REO           O15    O    O        -1.000      0.000    0.000    0.000
 REO           RE     RE   RE        0.000     -1.472   -0.159   -0.922
 REO           O12    O    O         0.000     -1.026   -0.663   -2.806
 REO           O13    O    O         0.000     -2.329    1.360   -0.915
 REO           O14    O    O         0.000     -2.473   -1.395   -0.211
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
 REO      O15    n/a    RE     START
 REO      RE     O15    O14    .
 REO      O12    RE     .      .
 REO      O13    RE     .      .
 REO      O14    RE     .      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
 REO      O12    RE        double      2.000    0.020
 REO      O13    RE        double      1.744    0.020
 REO      O14    RE        double      1.743    0.020
 REO      RE     O15       single      1.744    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
 REO      O15    RE     O12     109.459    3.000
 REO      O15    RE     O13     109.476    3.000
 REO      O15    RE     O14     109.484    3.000
 REO      O12    RE     O13     109.459    3.000
 REO      O12    RE     O14     109.466    3.000
 REO      O13    RE     O14     109.484    3.000
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
 REO      chir_01  RE     O15    O12    O13       both
# ------------------------------------------------------
