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
MOS      MOS 'DIOXOTHIOMOLYBDENUM(VI) ION         ' non-polymer         5   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MOS
#
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
 MOS           O2     O    O         0.000      0.000    0.000    0.000
 MOS           MO     MO   MO        0.000     -1.691   -0.416    0.067
 MOS           O1     O    O         0.000     -2.556    0.470   -1.160
 MOS           S      S    SH1       0.000     -2.569    0.143    2.227
 MOS           H1     H    H         0.000     -1.912   -0.531    3.171
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
 MOS      O2     n/a    MO     START
 MOS      MO     O2     S      .
 MOS      O1     MO     .      .
 MOS      S      MO     H1     .
 MOS      H1     S      .      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
 MOS      S      MO        single      2.350    0.020
 MOS      O1     MO        double      1.865    0.020
 MOS      MO     O2        double      1.865    0.020
 MOS      H1     S         single      1.330    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
 MOS      O2     MO     O1       90.000    3.000
 MOS      O2     MO     S        90.000    3.000
 MOS      O1     MO     S        90.000    3.000
 MOS      MO     S      H1      109.500    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
 MOS      var_1    O2     MO     S      H1       -59.947   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
 MOS      chir_01  MO     O2     O1     S         both
# ------------------------------------------------------
