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
MOO      MOO 'MOLYBDATE ION                       ' non-polymer         5   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MOO
#
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
 MOO           O4     O    O        -1.000      0.000    0.000    0.000
 MOO           MO     MO   MO        0.000      1.034    0.348    1.323
 MOO           O1     O    O         0.000      0.497   -0.544    2.660
 MOO           O2     O    O         0.000      2.643   -0.112    0.938
 MOO           O3     O    O        -1.000      1.151    2.018    1.610
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
 MOO      O4     n/a    MO     START
 MOO      MO     O4     O3     .
 MOO      O1     MO     .      .
 MOO      O2     MO     .      .
 MOO      O3     MO     .      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
 MOO      O1     MO        double      1.865    0.020
 MOO      O2     MO        double      1.865    0.020
 MOO      O3     MO        single      1.865    0.020
 MOO      MO     O4        single      1.865    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
 MOO      O4     MO     O1       90.000    3.000
 MOO      O4     MO     O2       90.000    3.000
 MOO      O4     MO     O3       90.000    3.000
 MOO      O1     MO     O2       90.000    3.000
 MOO      O1     MO     O3       90.000    3.000
 MOO      O2     MO     O3       90.000    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
 MOO      chir_01  MO     O4     O1     O2        both
# ------------------------------------------------------
