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
CHZ      CHZ '1,8-dihydroxyanthracene-9,10-dione  ' non-polymer        26  18 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CHZ
#
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
 CHZ           OAB    O    O         0.000      0.000    0.000    0.000
 CHZ           CAN    C    CR6       0.000     -1.116   -0.419   -0.245
 CHZ           CAQ    C    CR66      0.000     -1.292   -1.690   -0.973
 CHZ           CAK    C    CR6       0.000     -0.216   -2.285   -1.636
 CHZ           OAC    O    OH1       0.000      1.005   -1.699   -1.616
 CHZ           HOAC   H    H         0.000      1.084   -1.097   -2.368
 CHZ           CAG    C    CR16      0.000     -0.406   -3.485   -2.318
 CHZ           HAG    H    H         0.000      0.425   -3.949   -2.834
 CHZ           CAE    C    CR16      0.000     -1.649   -4.085   -2.341
 CHZ           HAE    H    H         0.000     -1.785   -5.018   -2.875
 CHZ           CAI    C    CR16      0.000     -2.724   -3.506   -1.686
 CHZ           HAI    H    H         0.000     -3.695   -3.985   -1.709
 CHZ           CAO    C    CR66      0.000     -2.556   -2.310   -1.000
 CHZ           CAR    C    CR66      0.000     -2.307    0.340    0.182
 CHZ           CAL    C    CR6       0.000     -2.192    1.664    0.611
 CHZ           OAD    O    OH1       0.000     -0.978    2.268    0.639
 CHZ           HOAD   H    H         0.000     -0.814    2.699   -0.210
 CHZ           CAH    C    CR16      0.000     -3.336    2.366    0.994
 CHZ           HAH    H    H         0.000     -3.252    3.397    1.315
 CHZ           CAF    C    CR16      0.000     -4.573    1.755    0.966
 CHZ           HAF    H    H         0.000     -5.452    2.308    1.273
 CHZ           CAJ    C    CR16      0.000     -4.700    0.439    0.549
 CHZ           HAJ    H    H         0.000     -5.675   -0.032    0.532
 CHZ           CAP    C    CR66      0.000     -3.576   -0.275    0.152
 CHZ           CAM    C    CR6       0.000     -3.694   -1.678   -0.297
 CHZ           OAA    O    O         0.000     -4.717   -2.305   -0.095
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
 CHZ      OAB    n/a    CAN    START
 CHZ      CAN    OAB    CAR    .
 CHZ      CAQ    CAN    CAO    .
 CHZ      CAK    CAQ    CAG    .
 CHZ      OAC    CAK    HOAC   .
 CHZ      HOAC   OAC    .      .
 CHZ      CAG    CAK    CAE    .
 CHZ      HAG    CAG    .      .
 CHZ      CAE    CAG    CAI    .
 CHZ      HAE    CAE    .      .
 CHZ      CAI    CAE    HAI    .
 CHZ      HAI    CAI    .      .
 CHZ      CAO    CAQ    .      .
 CHZ      CAR    CAN    CAL    .
 CHZ      CAL    CAR    CAH    .
 CHZ      OAD    CAL    HOAD   .
 CHZ      HOAD   OAD    .      .
 CHZ      CAH    CAL    CAF    .
 CHZ      HAH    CAH    .      .
 CHZ      CAF    CAH    CAJ    .
 CHZ      HAF    CAF    .      .
 CHZ      CAJ    CAF    CAP    .
 CHZ      HAJ    CAJ    .      .
 CHZ      CAP    CAJ    CAM    .
 CHZ      CAM    CAP    OAA    .
 CHZ      OAA    CAM    .      END
 CHZ      CAM    CAO    .    ADD
 CHZ      CAO    CAI    .    ADD
 CHZ      CAR    CAP    .    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
 CHZ      OAA    CAM       double      1.250    0.020
 CHZ      CAM    CAO       single      1.490    0.020
 CHZ      CAM    CAP       single      1.490    0.020
 CHZ      CAO    CAI       double      1.390    0.020
 CHZ      CAO    CAQ       single      1.490    0.020
 CHZ      CAI    CAE       single      1.390    0.020
 CHZ      CAE    CAG       double      1.390    0.020
 CHZ      CAG    CAK       single      1.390    0.020
 CHZ      OAC    CAK       single      1.362    0.020
 CHZ      CAK    CAQ       double      1.490    0.020
 CHZ      CAQ    CAN       single      1.490    0.020
 CHZ      CAN    OAB       double      1.250    0.020
 CHZ      CAR    CAN       single      1.490    0.020
 CHZ      CAR    CAP       double      1.490    0.020
 CHZ      CAL    CAR       single      1.490    0.020
 CHZ      CAP    CAJ       single      1.390    0.020
 CHZ      CAJ    CAF       double      1.390    0.020
 CHZ      CAF    CAH       single      1.390    0.020
 CHZ      CAH    CAL       double      1.390    0.020
 CHZ      OAD    CAL       single      1.362    0.020
 CHZ      HAI    CAI       single      1.083    0.020
 CHZ      HAE    CAE       single      1.083    0.020
 CHZ      HAG    CAG       single      1.083    0.020
 CHZ      HOAC   OAC       single      0.967    0.020
 CHZ      HAJ    CAJ       single      1.083    0.020
 CHZ      HAF    CAF       single      1.083    0.020
 CHZ      HAH    CAH       single      1.083    0.020
 CHZ      HOAD   OAD       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
 CHZ      OAB    CAN    CAQ     120.000    3.000
 CHZ      OAB    CAN    CAR     120.000    3.000
 CHZ      CAQ    CAN    CAR     120.000    3.000
 CHZ      CAN    CAQ    CAK     120.000    3.000
 CHZ      CAN    CAQ    CAO     120.000    3.000
 CHZ      CAK    CAQ    CAO     120.000    3.000
 CHZ      CAQ    CAK    OAC     120.000    3.000
 CHZ      CAQ    CAK    CAG     120.000    3.000
 CHZ      OAC    CAK    CAG     120.000    3.000
 CHZ      CAK    OAC    HOAC    109.470    3.000
 CHZ      CAK    CAG    HAG     120.000    3.000
 CHZ      CAK    CAG    CAE     120.000    3.000
 CHZ      HAG    CAG    CAE     120.000    3.000
 CHZ      CAG    CAE    HAE     120.000    3.000
 CHZ      CAG    CAE    CAI     120.000    3.000
 CHZ      HAE    CAE    CAI     120.000    3.000
 CHZ      CAE    CAI    HAI     120.000    3.000
 CHZ      CAE    CAI    CAO     120.000    3.000
 CHZ      HAI    CAI    CAO     120.000    3.000
 CHZ      CAQ    CAO    CAM     120.000    3.000
 CHZ      CAQ    CAO    CAI     120.000    3.000
 CHZ      CAM    CAO    CAI     120.000    3.000
 CHZ      CAN    CAR    CAL     120.000    3.000
 CHZ      CAN    CAR    CAP     120.000    3.000
 CHZ      CAL    CAR    CAP     120.000    3.000
 CHZ      CAR    CAL    OAD     120.000    3.000
 CHZ      CAR    CAL    CAH     120.000    3.000
 CHZ      OAD    CAL    CAH     120.000    3.000
 CHZ      CAL    OAD    HOAD    109.470    3.000
 CHZ      CAL    CAH    HAH     120.000    3.000
 CHZ      CAL    CAH    CAF     120.000    3.000
 CHZ      HAH    CAH    CAF     120.000    3.000
 CHZ      CAH    CAF    HAF     120.000    3.000
 CHZ      CAH    CAF    CAJ     120.000    3.000
 CHZ      HAF    CAF    CAJ     120.000    3.000
 CHZ      CAF    CAJ    HAJ     120.000    3.000
 CHZ      CAF    CAJ    CAP     120.000    3.000
 CHZ      HAJ    CAJ    CAP     120.000    3.000
 CHZ      CAJ    CAP    CAM     120.000    3.000
 CHZ      CAJ    CAP    CAR     120.000    3.000
 CHZ      CAM    CAP    CAR     120.000    3.000
 CHZ      CAP    CAM    OAA     120.000    3.000
 CHZ      CAP    CAM    CAO     120.000    3.000
 CHZ      OAA    CAM    CAO     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
 CHZ      CONST_1  OAB    CAN    CAQ    CAO      180.000    0.000   0
 CHZ      CONST_2  CAN    CAQ    CAK    CAG      180.000    0.000   0
 CHZ      var_1    CAQ    CAK    OAC    HOAC     -90.037   20.000   1
 CHZ      CONST_3  CAQ    CAK    CAG    CAE        0.000    0.000   0
 CHZ      CONST_4  CAK    CAG    CAE    CAI        0.000    0.000   0
 CHZ      CONST_5  CAG    CAE    CAI    CAO        0.000    0.000   0
 CHZ      CONST_6  CAN    CAQ    CAO    CAM        0.000    0.000   0
 CHZ      CONST_7  CAQ    CAO    CAI    CAE        0.000    0.000   0
 CHZ      CONST_8  OAB    CAN    CAR    CAL        0.000    0.000   0
 CHZ      CONST_9  CAN    CAR    CAP    CAJ      180.000    0.000   0
 CHZ      CONST_10 CAN    CAR    CAL    CAH      180.000    0.000   0
 CHZ      var_2    CAR    CAL    OAD    HOAD      89.956   20.000   1
 CHZ      CONST_11 CAR    CAL    CAH    CAF        0.000    0.000   0
 CHZ      CONST_12 CAL    CAH    CAF    CAJ        0.000    0.000   0
 CHZ      CONST_13 CAH    CAF    CAJ    CAP        0.000    0.000   0
 CHZ      CONST_14 CAF    CAJ    CAP    CAM      180.000    0.000   0
 CHZ      CONST_15 CAJ    CAP    CAM    OAA        0.000    0.000   0
 CHZ      CONST_16 CAP    CAM    CAO    CAQ        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
 CHZ      plan-1    CAM       0.020
 CHZ      plan-1    OAA       0.020
 CHZ      plan-1    CAO       0.020
 CHZ      plan-1    CAP       0.020
 CHZ      plan-1    CAI       0.020
 CHZ      plan-1    CAQ       0.020
 CHZ      plan-1    CAE       0.020
 CHZ      plan-1    CAG       0.020
 CHZ      plan-1    CAK       0.020
 CHZ      plan-1    HAI       0.020
 CHZ      plan-1    HAE       0.020
 CHZ      plan-1    HAG       0.020
 CHZ      plan-1    OAC       0.020
 CHZ      plan-1    CAN       0.020
 CHZ      plan-1    OAB       0.020
 CHZ      plan-1    CAR       0.020
 CHZ      plan-1    CAL       0.020
 CHZ      plan-1    CAJ       0.020
 CHZ      plan-1    CAF       0.020
 CHZ      plan-1    CAH       0.020
 CHZ      plan-1    HAJ       0.020
 CHZ      plan-1    HAF       0.020
 CHZ      plan-1    HAH       0.020
 CHZ      plan-1    OAD       0.020
# ------------------------------------------------------
