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
OXD      OXD 'OXALIC ACID                         ' non-polymer         6   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_OXD
#
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
 OXD           O6     O    OC       -0.500      0.000    0.000    0.000
 OXD           C2     C    C         0.000     -0.694    0.000    1.041
 OXD           O4     O    OC       -0.500     -0.140    0.000    2.162
 OXD           C1     C    C         0.000     -2.185    0.000    0.944
 OXD           O3     O    OC       -0.500     -2.739    0.000   -0.177
 OXD           O5     O    OC       -0.500     -2.879    0.000    1.985
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
 OXD      O6     n/a    C2     START
 OXD      C2     O6     C1     .
 OXD      O4     C2     .      .
 OXD      C1     C2     O5     .
 OXD      O3     C1     .      .
 OXD      O5     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
 OXD      C1     C2        single      1.460    0.020
 OXD      O3     C1        deloc       1.250    0.020
 OXD      O5     C1        deloc       1.250    0.020
 OXD      O4     C2        deloc       1.250    0.020
 OXD      C2     O6        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
 OXD      O6     C2     O4      123.000    3.000
 OXD      O6     C2     C1      120.000    3.000
 OXD      O4     C2     C1      120.000    3.000
 OXD      C2     C1     O3      120.000    3.000
 OXD      C2     C1     O5      120.000    3.000
 OXD      O3     C1     O5      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
 OXD      var_1    O6     C2     C1     O5       180.000   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
 OXD      plan-1    C1        0.020
 OXD      plan-1    C2        0.020
 OXD      plan-1    O3        0.020
 OXD      plan-1    O5        0.020
 OXD      plan-2    C2        0.020
 OXD      plan-2    C1        0.020
 OXD      plan-2    O4        0.020
 OXD      plan-2    O6        0.020
# ------------------------------------------------------
