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
OXQ      OXQ '4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXY' non-polymer        10   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_OXQ
#
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
 OXQ           O8     O    OC       -0.500      0.000    0.000    0.000
 OXQ           C6     C    C         0.000     -0.522   -0.011   -1.137
 OXQ           O9     O    OC       -0.500      0.202   -0.033   -2.157
 OXQ           C2     C    CR5       0.000     -1.996    0.004   -1.273
 OXQ           N3     N    NRD5      0.000     -2.720   -0.002   -2.371
 OXQ           O4     O    O2        0.000     -3.892    0.016   -2.077
 OXQ           N5     N    NRD5      0.000     -4.143    0.036   -0.895
 OXQ           C1     C    CR5       0.000     -3.024    0.027   -0.211
 OXQ           O7     O    OH1       0.000     -2.854    0.042    1.134
 OXQ           HO7    H    H         0.000     -2.813   -0.790    1.585
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
 OXQ      O8     n/a    C6     START
 OXQ      C6     O8     C2     .
 OXQ      O9     C6     .      .
 OXQ      C2     C6     N3     .
 OXQ      N3     C2     O4     .
 OXQ      O4     N3     N5     .
 OXQ      N5     O4     C1     .
 OXQ      C1     N5     O7     .
 OXQ      O7     C1     HO7    .
 OXQ      HO7    O7     .      END
 OXQ      C2     C1     .    ADD
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
 OXQ      O9     C6        deloc       1.250    0.020
 OXQ      C6     O8        deloc       1.250    0.020
 OXQ      C2     C6        single      1.490    0.020
 OXQ      C2     C1        single      1.490    0.020
 OXQ      N3     C2        double      1.350    0.020
 OXQ      O7     C1        single      1.480    0.020
 OXQ      C1     N5        double      1.350    0.020
 OXQ      HO7    O7        single      0.967    0.020
 OXQ      O4     N3        single      1.337    0.020
 OXQ      N5     O4        single      1.337    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
 OXQ      O8     C6     O9      123.000    3.000
 OXQ      O8     C6     C2      120.000    3.000
 OXQ      O9     C6     C2      120.000    3.000
 OXQ      C6     C2     N3      126.000    3.000
 OXQ      C6     C2     C1      117.000    3.000
 OXQ      N3     C2     C1      108.000    3.000
 OXQ      C2     N3     O4      108.000    3.000
 OXQ      N3     O4     N5      120.000    3.000
 OXQ      O4     N5     C1      108.000    3.000
 OXQ      N5     C1     O7      108.000    3.000
 OXQ      N5     C1     C2      108.000    3.000
 OXQ      O7     C1     C2      108.000    3.000
 OXQ      C1     O7     HO7     120.000    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
 OXQ      var_1    O8     C6     C2     N3       179.918   20.000   1
 OXQ      CONST_1  C6     C2     C1     N5       180.000    0.000   0
 OXQ      CONST_2  C6     C2     N3     O4       180.000    0.000   0
 OXQ      CONST_3  C2     N3     O4     N5         0.000    0.000   0
 OXQ      CONST_4  N3     O4     N5     C1         0.000    0.000   0
 OXQ      CONST_5  O4     N5     C1     O7       180.000    0.000   0
 OXQ      var_2    N5     C1     O7     HO7       89.930   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
 OXQ      plan-1    C6        0.020
 OXQ      plan-1    O9        0.020
 OXQ      plan-1    O8        0.020
 OXQ      plan-1    C2        0.020
 OXQ      plan-2    C2        0.020
 OXQ      plan-2    C6        0.020
 OXQ      plan-2    C1        0.020
 OXQ      plan-2    N3        0.020
 OXQ      plan-2    O4        0.020
 OXQ      plan-2    N5        0.020
 OXQ      plan-2    O7        0.020
# ------------------------------------------------------
