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
OEG      OEG '.                                   ' non-polymer        13   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_OEG
#
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
 OEG           O5     O    OC       -0.500      0.000    0.000    0.000
 OEG           C1     C    C         0.000     -1.195   -0.371    0.000
 OEG           O1     O    OC       -0.500     -1.472   -1.591    0.003
 OEG           C2     C    CH2       0.000     -2.301    0.651    0.000
 OEG           H1     H    H         0.000     -2.217    1.278   -0.890
 OEG           H2     H    H         0.000     -2.218    1.276    0.892
 OEG           O2     O    O2        0.000     -3.566   -0.014   -0.001
 OEG           C3     C    CH2       0.000     -4.689    0.870    0.001
 OEG           H3     H    H         0.000     -4.655    1.501   -0.889
 OEG           H4     H    H         0.000     -4.655    1.498    0.893
 OEG           C4     C    C         0.000     -5.963    0.065    0.000
 OEG           O3     O    OC       -0.500     -5.912   -1.185   -0.002
 OEG           O4     O    OC       -0.500     -7.070    0.647    0.000
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
 OEG      O5     n/a    C1     START
 OEG      C1     O5     C2     .
 OEG      O1     C1     .      .
 OEG      C2     C1     O2     .
 OEG      H1     C2     .      .
 OEG      H2     C2     .      .
 OEG      O2     C2     C3     .
 OEG      C3     O2     C4     .
 OEG      H3     C3     .      .
 OEG      H4     C3     .      .
 OEG      C4     C3     O4     .
 OEG      O3     C4     .      .
 OEG      O4     C4     .      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
 OEG      C2     C1        single      1.510    0.020
 OEG      C1     O5        deloc       1.250    0.020
 OEG      O1     C1        deloc       1.250    0.020
 OEG      O2     C2        single      1.426    0.020
 OEG      C3     O2        single      1.426    0.020
 OEG      C4     C3        single      1.510    0.020
 OEG      O3     C4        deloc       1.250    0.020
 OEG      O4     C4        deloc       1.250    0.020
 OEG      H1     C2        single      1.092    0.020
 OEG      H2     C2        single      1.092    0.020
 OEG      H3     C3        single      1.092    0.020
 OEG      H4     C3        single      1.092    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
 OEG      O5     C1     O1      123.000    3.000
 OEG      O5     C1     C2      118.500    3.000
 OEG      O1     C1     C2      118.500    3.000
 OEG      C1     C2     H1      109.470    3.000
 OEG      C1     C2     H2      109.470    3.000
 OEG      C1     C2     O2      109.470    3.000
 OEG      H1     C2     H2      107.900    3.000
 OEG      H1     C2     O2      109.470    3.000
 OEG      H2     C2     O2      109.470    3.000
 OEG      C2     O2     C3      111.800    3.000
 OEG      O2     C3     H3      109.470    3.000
 OEG      O2     C3     H4      109.470    3.000
 OEG      O2     C3     C4      109.470    3.000
 OEG      H3     C3     H4      107.900    3.000
 OEG      H3     C3     C4      109.470    3.000
 OEG      H4     C3     C4      109.470    3.000
 OEG      C3     C4     O3      118.500    3.000
 OEG      C3     C4     O4      118.500    3.000
 OEG      O3     C4     O4      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
 OEG      var_1    O5     C1     C2     O2       179.966   20.000   3
 OEG      var_2    C1     C2     O2     C3       179.949   20.000   1
 OEG      var_3    C2     O2     C3     C4      -179.989   20.000   1
 OEG      var_4    O2     C3     C4     O4      -179.971   20.000   3
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
 OEG      plan-1    C1        0.020
 OEG      plan-1    O1        0.020
 OEG      plan-1    C2        0.020
 OEG      plan-1    O5        0.020
 OEG      plan-2    C4        0.020
 OEG      plan-2    C3        0.020
 OEG      plan-2    O3        0.020
 OEG      plan-2    O4        0.020
# ------------------------------------------------------
