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
VO4      VO4 'VANADATE ION                        ' non-polymer         5   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VO4
#
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
 VO4           O4     O    O        -1.000      0.000    0.000    0.000
 VO4           V      V    V         0.000     -1.733    0.000   -0.386
 VO4           O1     O    O         0.000     -2.129   -1.450   -1.332
 VO4           O2     O    O        -1.000     -2.129    1.450   -1.332
 VO4           O3     O    O        -1.000     -2.675    0.000    1.119
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
 VO4      O4     n/a    V      START
 VO4      V      O4     O3     .
 VO4      O1     V      .      .
 VO4      O2     V      .      .
 VO4      O3     V      .      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
 VO4      O1     V         double      1.910    0.020
 VO4      O2     V         single      1.910    0.020
 VO4      O3     V         single      1.910    0.020
 VO4      V      O4        single      1.910    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
 VO4      O4     V      O1      109.463    3.000
 VO4      O4     V      O2      109.463    3.000
 VO4      O4     V      O3      109.487    3.000
 VO4      O1     V      O2      109.487    3.000
 VO4      O1     V      O3      109.463    3.000
 VO4      O2     V      O3      109.463    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
 VO4      chir_01  V      O4     O1     O2        both
# ------------------------------------------------------
