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
GTQ      GTQ '2,5-dihydroxybenzoic acid           ' non-polymer        16  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GTQ
#
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
 GTQ           OAB    O    OC       -0.500      0.000    0.000    0.000
 GTQ           CAH    C    C         0.000     -1.014   -0.733   -0.001
 GTQ           OAA    O    OC       -0.500     -0.887   -1.977    0.014
 GTQ           CAK    C    CR6       0.000     -2.359   -0.129   -0.019
 GTQ           CAJ    C    CR6       0.000     -2.505    1.266   -0.019
 GTQ           CAF    C    CR16      0.000     -3.773    1.825   -0.032
 GTQ           HAF    H    H         0.000     -3.888    2.902   -0.032
 GTQ           OAD    O    OH1       0.000     -1.408    2.066   -0.007
 GTQ           HOAD   H    H         0.000     -1.158    2.253    0.908
 GTQ           CAG    C    CR16      0.000     -3.495   -0.943   -0.021
 GTQ           HAG    H    H         0.000     -3.391   -2.021   -0.008
 GTQ           CAI    C    CR6       0.000     -4.752   -0.369   -0.038
 GTQ           CAE    C    CR16      0.000     -4.890    1.013   -0.044
 GTQ           HAE    H    H         0.000     -5.878    1.456   -0.058
 GTQ           OAC    O    OH1       0.000     -5.858   -1.160   -0.051
 GTQ           HOAC   H    H         0.000     -6.132   -1.346    0.857
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
 GTQ      OAB    n/a    CAH    START
 GTQ      CAH    OAB    CAK    .
 GTQ      OAA    CAH    .      .
 GTQ      CAK    CAH    CAG    .
 GTQ      CAJ    CAK    OAD    .
 GTQ      CAF    CAJ    HAF    .
 GTQ      HAF    CAF    .      .
 GTQ      OAD    CAJ    HOAD   .
 GTQ      HOAD   OAD    .      .
 GTQ      CAG    CAK    CAI    .
 GTQ      HAG    CAG    .      .
 GTQ      CAI    CAG    OAC    .
 GTQ      CAE    CAI    HAE    .
 GTQ      HAE    CAE    .      .
 GTQ      OAC    CAI    HOAC   .
 GTQ      HOAC   OAC    .      END
 GTQ      CAE    CAF    .    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
 GTQ      OAA    CAH       deloc       1.250    0.020
 GTQ      CAH    OAB       deloc       1.250    0.020
 GTQ      OAC    CAI       single      1.362    0.020
 GTQ      HOAC   OAC       single      0.967    0.020
 GTQ      OAD    CAJ       single      1.362    0.020
 GTQ      HOAD   OAD       single      0.967    0.020
 GTQ      CAE    CAI       double      1.390    0.020
 GTQ      CAE    CAF       single      1.390    0.020
 GTQ      HAE    CAE       single      1.083    0.020
 GTQ      CAF    CAJ       double      1.390    0.020
 GTQ      HAF    CAF       single      1.083    0.020
 GTQ      CAG    CAK       double      1.390    0.020
 GTQ      CAI    CAG       single      1.390    0.020
 GTQ      HAG    CAG       single      1.083    0.020
 GTQ      CAK    CAH       single      1.500    0.020
 GTQ      CAJ    CAK       single      1.487    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
 GTQ      OAB    CAH    OAA     123.000    3.000
 GTQ      OAB    CAH    CAK     120.000    3.000
 GTQ      OAA    CAH    CAK     120.000    3.000
 GTQ      CAH    CAK    CAJ     120.000    3.000
 GTQ      CAH    CAK    CAG     120.000    3.000
 GTQ      CAJ    CAK    CAG     120.000    3.000
 GTQ      CAK    CAJ    CAF     120.000    3.000
 GTQ      CAK    CAJ    OAD     120.000    3.000
 GTQ      CAF    CAJ    OAD     120.000    3.000
 GTQ      CAJ    CAF    HAF     120.000    3.000
 GTQ      CAJ    CAF    CAE     120.000    3.000
 GTQ      HAF    CAF    CAE     120.000    3.000
 GTQ      CAJ    OAD    HOAD    109.470    3.000
 GTQ      CAK    CAG    HAG     120.000    3.000
 GTQ      CAK    CAG    CAI     120.000    3.000
 GTQ      HAG    CAG    CAI     120.000    3.000
 GTQ      CAG    CAI    CAE     120.000    3.000
 GTQ      CAG    CAI    OAC     120.000    3.000
 GTQ      CAE    CAI    OAC     120.000    3.000
 GTQ      CAI    CAE    HAE     120.000    3.000
 GTQ      CAI    CAE    CAF     120.000    3.000
 GTQ      HAE    CAE    CAF     120.000    3.000
 GTQ      CAI    OAC    HOAC    109.470    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
 GTQ      var_1    OAB    CAH    CAK    CAG     -179.994   20.000   1
 GTQ      CONST_1  CAH    CAK    CAJ    OAD        0.000    0.000   0
 GTQ      CONST_2  CAK    CAJ    CAF    CAE        0.000    0.000   0
 GTQ      var_2    CAK    CAJ    OAD    HOAD     -89.978   20.000   1
 GTQ      CONST_3  CAH    CAK    CAG    CAI      180.000    0.000   0
 GTQ      CONST_4  CAK    CAG    CAI    OAC      180.000    0.000   0
 GTQ      CONST_5  CAG    CAI    CAE    CAF        0.000    0.000   0
 GTQ      CONST_6  CAI    CAE    CAF    CAJ        0.000    0.000   0
 GTQ      var_3    CAG    CAI    OAC    HOAC      89.983   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
 GTQ      plan-1    CAE       0.020
 GTQ      plan-1    CAF       0.020
 GTQ      plan-1    CAI       0.020
 GTQ      plan-1    HAE       0.020
 GTQ      plan-1    CAG       0.020
 GTQ      plan-1    CAJ       0.020
 GTQ      plan-1    CAK       0.020
 GTQ      plan-1    HAF       0.020
 GTQ      plan-1    HAG       0.020
 GTQ      plan-1    OAC       0.020
 GTQ      plan-1    OAD       0.020
 GTQ      plan-1    CAH       0.020
 GTQ      plan-2    CAH       0.020
 GTQ      plan-2    OAA       0.020
 GTQ      plan-2    OAB       0.020
 GTQ      plan-2    CAK       0.020
# ------------------------------------------------------
