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
PLQ      PLQ '1,4-benzoquinone                    ' non-polymer        12   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PLQ
#
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
 PLQ           O2     O    O         0.000      0.000    0.000    0.000
 PLQ           C2     C    CR6       0.000     -1.214    0.000   -0.001
 PLQ           C1     C    CR16      0.000     -1.953    1.279    0.003
 PLQ           H1     H    H         0.000     -1.412    2.217    0.006
 PLQ           C6     C    CR16      0.000     -3.293    1.279    0.002
 PLQ           H6     H    H         0.000     -3.834    2.217    0.005
 PLQ           C3     C    CR16      0.000     -1.953   -1.279    0.003
 PLQ           H3     H    H         0.000     -1.412   -2.217    0.006
 PLQ           C4     C    CR16      0.000     -3.293   -1.279    0.002
 PLQ           H4     H    H         0.000     -3.834   -2.217    0.005
 PLQ           C5     C    CR6       0.000     -4.032    0.000   -0.002
 PLQ           O5     O    O         0.000     -5.246    0.000   -0.003
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
 PLQ      O2     n/a    C2     START
 PLQ      C2     O2     C3     .
 PLQ      C1     C2     C6     .
 PLQ      H1     C1     .      .
 PLQ      C6     C1     H6     .
 PLQ      H6     C6     .      .
 PLQ      C3     C2     C4     .
 PLQ      H3     C3     .      .
 PLQ      C4     C3     C5     .
 PLQ      H4     C4     .      .
 PLQ      C5     C4     O5     .
 PLQ      O5     C5     .      END
 PLQ      C5     C6     .    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
 PLQ      O5     C5        double      1.250    0.020
 PLQ      C5     C6        single      1.390    0.020
 PLQ      C5     C4        single      1.390    0.020
 PLQ      C6     C1        double      1.390    0.020
 PLQ      H6     C6        single      1.083    0.020
 PLQ      C4     C3        double      1.390    0.020
 PLQ      H4     C4        single      1.083    0.020
 PLQ      C3     C2        single      1.390    0.020
 PLQ      H3     C3        single      1.083    0.020
 PLQ      C2     O2        double      1.250    0.020
 PLQ      C1     C2        single      1.390    0.020
 PLQ      H1     C1        single      1.083    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
 PLQ      O2     C2     C1      120.000    3.000
 PLQ      O2     C2     C3      120.000    3.000
 PLQ      C1     C2     C3      120.000    3.000
 PLQ      C2     C1     H1      120.000    3.000
 PLQ      C2     C1     C6      120.000    3.000
 PLQ      H1     C1     C6      120.000    3.000
 PLQ      C1     C6     H6      120.000    3.000
 PLQ      C1     C6     C5      120.000    3.000
 PLQ      H6     C6     C5      120.000    3.000
 PLQ      C2     C3     H3      120.000    3.000
 PLQ      C2     C3     C4      120.000    3.000
 PLQ      H3     C3     C4      120.000    3.000
 PLQ      C3     C4     H4      120.000    3.000
 PLQ      C3     C4     C5      120.000    3.000
 PLQ      H4     C4     C5      120.000    3.000
 PLQ      C4     C5     O5      120.000    3.000
 PLQ      C4     C5     C6      120.000    3.000
 PLQ      O5     C5     C6      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
 PLQ      CONST_1  O2     C2     C1     C6       180.000    0.000   0
 PLQ      CONST_2  C2     C1     C6     C5         0.000    0.000   0
 PLQ      CONST_3  O2     C2     C3     C4       180.000    0.000   0
 PLQ      CONST_4  C2     C3     C4     C5         0.000    0.000   0
 PLQ      CONST_5  C3     C4     C5     O5       180.000    0.000   0
 PLQ      CONST_6  C4     C5     C6     C1         0.000    0.000   0
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
 PLQ      plan-1    C5        0.020
 PLQ      plan-1    O5        0.020
 PLQ      plan-1    C6        0.020
 PLQ      plan-1    C4        0.020
 PLQ      plan-1    C3        0.020
 PLQ      plan-1    C2        0.020
 PLQ      plan-1    C1        0.020
 PLQ      plan-1    H6        0.020
 PLQ      plan-1    H4        0.020
 PLQ      plan-1    H3        0.020
 PLQ      plan-1    O2        0.020
 PLQ      plan-1    H1        0.020
# ------------------------------------------------------
