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
NQ       NQ  '2-HYDROXYNAPHTHOQUINONE             ' non-polymer        19  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NQ
#
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
 NQ            OAA    O    O         0.000      0.000    0.000    0.000
 NQ            CAJ    C    CR6       0.000     -1.021   -0.659    0.003
 NQ            CAH    C    CR16      0.000     -0.950   -2.123    0.005
 NQ            HAH    H    H         0.000      0.017   -2.610    0.005
 NQ            CAI    C    CR6       0.000     -2.072   -2.872    0.008
 NQ            OAC    O    OH1       0.000     -1.976   -4.222    0.012
 NQ            HAC    H    H         0.000     -1.044   -4.477    0.013
 NQ            CAK    C    CR6       0.000     -3.409   -2.233    0.001
 NQ            OAB    O    O         0.000     -4.412   -2.916   -0.001
 NQ            CAL    C    CR66      0.000     -2.339    0.016    0.000
 NQ            CAM    C    CR66      0.000     -3.513   -0.757    0.003
 NQ            CAF    C    CR16      0.000     -2.427    1.402   -0.003
 NQ            HAF    H    H         0.000     -1.527    2.004   -0.005
 NQ            CAD    C    CR16      0.000     -3.672    2.014   -0.004
 NQ            HAD    H    H         0.000     -3.740    3.095   -0.007
 NQ            CAE    C    CR16      0.000     -4.826    1.253   -0.002
 NQ            HAE    H    H         0.000     -5.793    1.742   -0.002
 NQ            CAG    C    CR16      0.000     -4.754   -0.131    0.002
 NQ            HAG    H    H         0.000     -5.661   -0.723    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
 NQ       OAA    n/a    CAJ    START
 NQ       CAJ    OAA    CAL    .
 NQ       CAH    CAJ    CAI    .
 NQ       HAH    CAH    .      .
 NQ       CAI    CAH    CAK    .
 NQ       OAC    CAI    HAC    .
 NQ       HAC    OAC    .      .
 NQ       CAK    CAI    OAB    .
 NQ       OAB    CAK    .      .
 NQ       CAL    CAJ    CAF    .
 NQ       CAM    CAL    .      .
 NQ       CAF    CAL    CAD    .
 NQ       HAF    CAF    .      .
 NQ       CAD    CAF    CAE    .
 NQ       HAD    CAD    .      .
 NQ       CAE    CAD    CAG    .
 NQ       HAE    CAE    .      .
 NQ       CAG    CAE    HAG    .
 NQ       HAG    CAG    .      END
 NQ       CAK    CAM    .    ADD
 NQ       CAM    CAG    .    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
 NQ       OAB    CAK       double      1.250    0.020
 NQ       CAK    CAM       single      1.490    0.020
 NQ       CAK    CAI       single      1.487    0.020
 NQ       CAM    CAG       single      1.390    0.020
 NQ       CAM    CAL       double      1.490    0.020
 NQ       CAG    CAE       double      1.390    0.020
 NQ       HAG    CAG       single      1.083    0.020
 NQ       CAE    CAD       single      1.390    0.020
 NQ       HAE    CAE       single      1.083    0.020
 NQ       CAD    CAF       double      1.390    0.020
 NQ       HAD    CAD       single      1.083    0.020
 NQ       CAF    CAL       single      1.390    0.020
 NQ       HAF    CAF       single      1.083    0.020
 NQ       CAL    CAJ       single      1.490    0.020
 NQ       CAJ    OAA       double      1.250    0.020
 NQ       CAH    CAJ       single      1.390    0.020
 NQ       CAI    CAH       double      1.390    0.020
 NQ       HAH    CAH       single      1.083    0.020
 NQ       OAC    CAI       single      1.362    0.020
 NQ       HAC    OAC       single      0.967    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
 NQ       OAA    CAJ    CAH     120.000    3.000
 NQ       OAA    CAJ    CAL     120.000    3.000
 NQ       CAH    CAJ    CAL     120.000    3.000
 NQ       CAJ    CAH    HAH     120.000    3.000
 NQ       CAJ    CAH    CAI     120.000    3.000
 NQ       HAH    CAH    CAI     120.000    3.000
 NQ       CAH    CAI    OAC     120.000    3.000
 NQ       CAH    CAI    CAK     120.000    3.000
 NQ       OAC    CAI    CAK     120.000    3.000
 NQ       CAI    OAC    HAC     109.470    3.000
 NQ       CAI    CAK    OAB     120.000    3.000
 NQ       CAI    CAK    CAM     120.000    3.000
 NQ       OAB    CAK    CAM     120.000    3.000
 NQ       CAJ    CAL    CAM     120.000    3.000
 NQ       CAJ    CAL    CAF     120.000    3.000
 NQ       CAM    CAL    CAF     120.000    3.000
 NQ       CAL    CAM    CAK     120.000    3.000
 NQ       CAL    CAM    CAG     120.000    3.000
 NQ       CAK    CAM    CAG     120.000    3.000
 NQ       CAL    CAF    HAF     120.000    3.000
 NQ       CAL    CAF    CAD     120.000    3.000
 NQ       HAF    CAF    CAD     120.000    3.000
 NQ       CAF    CAD    HAD     120.000    3.000
 NQ       CAF    CAD    CAE     120.000    3.000
 NQ       HAD    CAD    CAE     120.000    3.000
 NQ       CAD    CAE    HAE     120.000    3.000
 NQ       CAD    CAE    CAG     120.000    3.000
 NQ       HAE    CAE    CAG     120.000    3.000
 NQ       CAE    CAG    HAG     120.000    3.000
 NQ       CAE    CAG    CAM     120.000    3.000
 NQ       HAG    CAG    CAM     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
 NQ       CONST_1  OAA    CAJ    CAH    CAI      180.000    0.000   0
 NQ       CONST_2  CAJ    CAH    CAI    CAK        0.000    0.000   0
 NQ       var_1    CAH    CAI    OAC    HAC        0.061   20.000   1
 NQ       CONST_3  CAH    CAI    CAK    OAB      180.000    0.000   0
 NQ       CONST_4  CAI    CAK    CAM    CAL        0.000    0.000   0
 NQ       CONST_5  OAA    CAJ    CAL    CAF        0.000    0.000   0
 NQ       CONST_6  CAJ    CAL    CAM    CAK        0.000    0.000   0
 NQ       CONST_7  CAL    CAM    CAG    CAE        0.000    0.000   0
 NQ       CONST_8  CAJ    CAL    CAF    CAD      180.000    0.000   0
 NQ       CONST_9  CAL    CAF    CAD    CAE        0.000    0.000   0
 NQ       CONST_10 CAF    CAD    CAE    CAG        0.000    0.000   0
 NQ       CONST_11 CAD    CAE    CAG    CAM        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
 NQ       plan-1    CAK       0.020
 NQ       plan-1    OAB       0.020
 NQ       plan-1    CAM       0.020
 NQ       plan-1    CAI       0.020
 NQ       plan-1    CAJ       0.020
 NQ       plan-1    CAH       0.020
 NQ       plan-1    CAG       0.020
 NQ       plan-1    CAL       0.020
 NQ       plan-1    CAE       0.020
 NQ       plan-1    CAD       0.020
 NQ       plan-1    CAF       0.020
 NQ       plan-1    HAG       0.020
 NQ       plan-1    HAE       0.020
 NQ       plan-1    HAD       0.020
 NQ       plan-1    HAF       0.020
 NQ       plan-1    OAA       0.020
 NQ       plan-1    HAH       0.020
 NQ       plan-1    OAC       0.020
# ------------------------------------------------------
