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
OXL      OXL 'OXALATE ION                         ' non-polymer         6   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_OXL
#
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
 OXL           O4     O    OC       -0.500      0.000    0.000    0.000
 OXL           C2     C    C         0.000     -1.228    0.239   -0.001
 OXL           O2     O    OC       -0.500     -2.049   -0.705    0.003
 OXL           C1     C    C         0.000     -1.714    1.652   -0.007
 OXL           O1     O    OC       -0.500     -2.942    1.891   -0.007
 OXL           O3     O    OC       -0.500     -0.893    2.596   -0.004
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
 OXL      O4     n/a    C2     START
 OXL      C2     O4     C1     .
 OXL      O2     C2     .      .
 OXL      C1     C2     O3     .
 OXL      O1     C1     .      .
 OXL      O3     C1     .      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
 OXL      C1     C2        single      1.460    0.020
 OXL      O1     C1        deloc       1.250    0.020
 OXL      O3     C1        deloc       1.250    0.020
 OXL      O2     C2        deloc       1.250    0.020
 OXL      C2     O4        deloc       1.250    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
 OXL      O4     C2     O2      123.000    3.000
 OXL      O4     C2     C1      120.000    3.000
 OXL      O2     C2     C1      120.000    3.000
 OXL      C2     C1     O1      120.000    3.000
 OXL      C2     C1     O3      120.000    3.000
 OXL      O1     C1     O3      123.000    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
 OXL      var_1    O4     C2     C1     O3        -0.348   20.000   1
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 OXL      plan-1    C1        0.020
 OXL      plan-1    C2        0.020
 OXL      plan-1    O1        0.020
 OXL      plan-1    O3        0.020
 OXL      plan-2    C2        0.020
 OXL      plan-2    C1        0.020
 OXL      plan-2    O2        0.020
 OXL      plan-2    O4        0.020
# ------------------------------------------------------
