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
JJZ      JJZ '4-[2-(anthracen-9-ylmethylidene)hydr' non-polymer        51  31 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_JJZ
#
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
 JJZ           CLAF   CL   CL        0.000      0.000    0.000    0.000
 JJZ           CAG    C    CR6       0.000     -1.505    0.586    0.635
 JJZ           CAA    C    CR16      0.000     -1.528    1.723    1.425
 JJZ           HAA    H    H         0.000     -0.606    2.246    1.646
 JJZ           CAH    C    CR16      0.000     -2.681   -0.082    0.351
 JJZ           HAH    H    H         0.000     -2.663   -0.971   -0.268
 JJZ           CAI    C    CR6       0.000     -3.885    0.387    0.861
 JJZ           CAC    C    CR16      0.000     -3.903    1.527    1.653
 JJZ           HAC    H    H         0.000     -4.840    1.895    2.052
 JJZ           CAB    C    CR16      0.000     -2.725    2.192    1.932
 JJZ           HAB    H    H         0.000     -2.740    3.082    2.549
 JJZ           NAJ    N    NH1       0.000     -5.077   -0.289    0.577
 JJZ           HNAJ   H    H         0.000     -5.075   -1.293    0.469
 JJZ           CAK    C    C         0.000     -6.228    0.401    0.447
 JJZ           OAD    O    O         0.000     -6.215    1.613    0.482
 JJZ           CAL    C    CH2       0.000     -7.530   -0.334    0.261
 JJZ           HAL    H    H         0.000     -7.706   -0.985    1.120
 JJZ           HALA   H    H         0.000     -7.480   -0.939   -0.648
 JJZ           CAM    C    CH2       0.000     -8.673    0.676    0.141
 JJZ           HAM    H    H         0.000     -8.494    1.326   -0.718
 JJZ           HAMA   H    H         0.000     -8.721    1.279    1.050
 JJZ           CAN    C    C         0.000     -9.975   -0.059   -0.046
 JJZ           OAE    O    O         0.000     -9.988   -1.272   -0.081
 JJZ           NAO    N    NH1       0.000    -11.126    0.630   -0.176
 JJZ           HNAO   H    H         0.000    -11.116    1.639   -0.149
 JJZ           NAP    N    N         0.000    -12.336   -0.053   -0.350
 JJZ           CAQ    C    C1        0.000    -13.448    0.613   -0.474
 JJZ           HAQ    H    H         0.000    -13.438    1.689   -0.443
 JJZ           CAU    C    CR6       0.000    -14.714   -0.103   -0.657
 JJZ           CAV    C    CR66      0.000    -15.904    0.609   -0.913
 JJZ           CBC    C    CR66      0.000    -17.166   -0.113   -1.093
 JJZ           CBD    C    CR16      0.000    -18.340    0.628   -1.348
 JJZ           HBD    H    H         0.000    -19.287    0.120   -1.485
 JJZ           CBE    C    CR16      0.000    -18.274    1.983   -1.421
 JJZ           HBE    H    H         0.000    -19.179    2.546   -1.617
 JJZ           CAX    C    CR16      0.000    -17.072    2.667   -1.250
 JJZ           HAX    H    H         0.000    -17.066    3.748   -1.316
 JJZ           CAW    C    CR16      0.000    -15.907    2.012   -1.001
 JJZ           HAW    H    H         0.000    -14.986    2.567   -0.872
 JJZ           CBB    C    CR16      0.000    -17.198   -1.505   -1.012
 JJZ           HBB    H    H         0.000    -18.134   -2.034   -1.146
 JJZ           CBA    C    CR66      0.000    -16.026   -2.217   -0.759
 JJZ           CAT    C    CR66      0.000    -14.757   -1.510   -0.577
 JJZ           CAS    C    CR16      0.000    -13.594   -2.258   -0.324
 JJZ           HAS    H    H         0.000    -12.644   -1.757   -0.185
 JJZ           CAZ    C    CR16      0.000    -16.035   -3.626   -0.675
 JJZ           HAZ    H    H         0.000    -16.959   -4.174   -0.806
 JJZ           CAY    C    CR16      0.000    -14.875   -4.290   -0.427
 JJZ           HAY    H    H         0.000    -14.889   -5.371   -0.362
 JJZ           CAR    C    CR16      0.000    -13.668   -3.614   -0.254
 JJZ           HAR    H    H         0.000    -12.768   -4.183   -0.059
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
 JJZ      CLAF   n/a    CAG    START
 JJZ      CAG    CLAF   CAH    .
 JJZ      CAA    CAG    HAA    .
 JJZ      HAA    CAA    .      .
 JJZ      CAH    CAG    CAI    .
 JJZ      HAH    CAH    .      .
 JJZ      CAI    CAH    NAJ    .
 JJZ      CAC    CAI    CAB    .
 JJZ      HAC    CAC    .      .
 JJZ      CAB    CAC    HAB    .
 JJZ      HAB    CAB    .      .
 JJZ      NAJ    CAI    CAK    .
 JJZ      HNAJ   NAJ    .      .
 JJZ      CAK    NAJ    CAL    .
 JJZ      OAD    CAK    .      .
 JJZ      CAL    CAK    CAM    .
 JJZ      HAL    CAL    .      .
 JJZ      HALA   CAL    .      .
 JJZ      CAM    CAL    CAN    .
 JJZ      HAM    CAM    .      .
 JJZ      HAMA   CAM    .      .
 JJZ      CAN    CAM    NAO    .
 JJZ      OAE    CAN    .      .
 JJZ      NAO    CAN    NAP    .
 JJZ      HNAO   NAO    .      .
 JJZ      NAP    NAO    CAQ    .
 JJZ      CAQ    NAP    CAU    .
 JJZ      HAQ    CAQ    .      .
 JJZ      CAU    CAQ    CAV    .
 JJZ      CAV    CAU    CBC    .
 JJZ      CBC    CAV    CBB    .
 JJZ      CBD    CBC    CBE    .
 JJZ      HBD    CBD    .      .
 JJZ      CBE    CBD    CAX    .
 JJZ      HBE    CBE    .      .
 JJZ      CAX    CBE    CAW    .
 JJZ      HAX    CAX    .      .
 JJZ      CAW    CAX    HAW    .
 JJZ      HAW    CAW    .      .
 JJZ      CBB    CBC    CBA    .
 JJZ      HBB    CBB    .      .
 JJZ      CBA    CBB    CAZ    .
 JJZ      CAT    CBA    CAS    .
 JJZ      CAS    CAT    HAS    .
 JJZ      HAS    CAS    .      .
 JJZ      CAZ    CBA    CAY    .
 JJZ      HAZ    CAZ    .      .
 JJZ      CAY    CAZ    CAR    .
 JJZ      HAY    CAY    .      .
 JJZ      CAR    CAY    HAR    .
 JJZ      HAR    CAR    .      END
 JJZ      CAA    CAB    .    ADD
 JJZ      CAR    CAS    .    ADD
 JJZ      CAT    CAU    .    ADD
 JJZ      CAV    CAW    .    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
 JJZ      CAA    CAB       double      1.390    0.020
 JJZ      CAA    CAG       single      1.390    0.020
 JJZ      CAB    CAC       single      1.390    0.020
 JJZ      CAC    CAI       double      1.390    0.020
 JJZ      OAD    CAK       double      1.220    0.020
 JJZ      OAE    CAN       double      1.220    0.020
 JJZ      CAG    CLAF      single      1.795    0.020
 JJZ      CAH    CAG       double      1.390    0.020
 JJZ      CAI    CAH       single      1.390    0.020
 JJZ      NAJ    CAI       single      1.350    0.020
 JJZ      CAK    NAJ       single      1.330    0.020
 JJZ      CAL    CAK       single      1.510    0.020
 JJZ      CAM    CAL       single      1.524    0.020
 JJZ      CAN    CAM       single      1.510    0.020
 JJZ      NAO    CAN       single      1.330    0.020
 JJZ      NAP    NAO       single      1.320    0.020
 JJZ      CAQ    NAP       double      1.260    0.020
 JJZ      CAU    CAQ       single      1.480    0.020
 JJZ      CAR    CAS       double      1.390    0.020
 JJZ      CAR    CAY       single      1.390    0.020
 JJZ      CAS    CAT       single      1.390    0.020
 JJZ      CAT    CAU       double      1.490    0.020
 JJZ      CAT    CBA       single      1.490    0.020
 JJZ      CAV    CAU       single      1.490    0.020
 JJZ      CAV    CAW       single      1.390    0.020
 JJZ      CBC    CAV       double      1.490    0.020
 JJZ      CAW    CAX       double      1.390    0.020
 JJZ      CAX    CBE       single      1.390    0.020
 JJZ      CAY    CAZ       double      1.390    0.020
 JJZ      CAZ    CBA       single      1.390    0.020
 JJZ      CBA    CBB       double      1.390    0.020
 JJZ      CBB    CBC       single      1.390    0.020
 JJZ      CBD    CBC       single      1.390    0.020
 JJZ      CBE    CBD       double      1.390    0.020
 JJZ      HAA    CAA       single      1.083    0.020
 JJZ      HAB    CAB       single      1.083    0.020
 JJZ      HAC    CAC       single      1.083    0.020
 JJZ      HAH    CAH       single      1.083    0.020
 JJZ      HNAJ   NAJ       single      1.010    0.020
 JJZ      HAL    CAL       single      1.092    0.020
 JJZ      HALA   CAL       single      1.092    0.020
 JJZ      HAM    CAM       single      1.092    0.020
 JJZ      HAMA   CAM       single      1.092    0.020
 JJZ      HNAO   NAO       single      1.010    0.020
 JJZ      HAQ    CAQ       single      1.077    0.020
 JJZ      HAR    CAR       single      1.083    0.020
 JJZ      HAS    CAS       single      1.083    0.020
 JJZ      HAW    CAW       single      1.083    0.020
 JJZ      HAX    CAX       single      1.083    0.020
 JJZ      HAY    CAY       single      1.083    0.020
 JJZ      HAZ    CAZ       single      1.083    0.020
 JJZ      HBB    CBB       single      1.083    0.020
 JJZ      HBD    CBD       single      1.083    0.020
 JJZ      HBE    CBE       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
 JJZ      CLAF   CAG    CAA     120.000    3.000
 JJZ      CLAF   CAG    CAH     120.000    3.000
 JJZ      CAA    CAG    CAH     120.000    3.000
 JJZ      CAG    CAA    HAA     120.000    3.000
 JJZ      CAG    CAA    CAB     120.000    3.000
 JJZ      HAA    CAA    CAB     120.000    3.000
 JJZ      CAG    CAH    HAH     120.000    3.000
 JJZ      CAG    CAH    CAI     120.000    3.000
 JJZ      HAH    CAH    CAI     120.000    3.000
 JJZ      CAH    CAI    CAC     120.000    3.000
 JJZ      CAH    CAI    NAJ     120.000    3.000
 JJZ      CAC    CAI    NAJ     120.000    3.000
 JJZ      CAI    CAC    HAC     120.000    3.000
 JJZ      CAI    CAC    CAB     120.000    3.000
 JJZ      HAC    CAC    CAB     120.000    3.000
 JJZ      CAC    CAB    HAB     120.000    3.000
 JJZ      CAC    CAB    CAA     120.000    3.000
 JJZ      HAB    CAB    CAA     120.000    3.000
 JJZ      CAI    NAJ    HNAJ    120.000    3.000
 JJZ      CAI    NAJ    CAK     120.000    3.000
 JJZ      HNAJ   NAJ    CAK     120.000    3.000
 JJZ      NAJ    CAK    OAD     123.000    3.000
 JJZ      NAJ    CAK    CAL     116.500    3.000
 JJZ      OAD    CAK    CAL     120.500    3.000
 JJZ      CAK    CAL    HAL     109.470    3.000
 JJZ      CAK    CAL    HALA    109.470    3.000
 JJZ      CAK    CAL    CAM     109.470    3.000
 JJZ      HAL    CAL    HALA    107.900    3.000
 JJZ      HAL    CAL    CAM     109.470    3.000
 JJZ      HALA   CAL    CAM     109.470    3.000
 JJZ      CAL    CAM    HAM     109.470    3.000
 JJZ      CAL    CAM    HAMA    109.470    3.000
 JJZ      CAL    CAM    CAN     109.470    3.000
 JJZ      HAM    CAM    HAMA    107.900    3.000
 JJZ      HAM    CAM    CAN     109.470    3.000
 JJZ      HAMA   CAM    CAN     109.470    3.000
 JJZ      CAM    CAN    OAE     120.500    3.000
 JJZ      CAM    CAN    NAO     116.500    3.000
 JJZ      OAE    CAN    NAO     123.000    3.000
 JJZ      CAN    NAO    HNAO    120.000    3.000
 JJZ      CAN    NAO    NAP     120.000    3.000
 JJZ      HNAO   NAO    NAP     120.000    3.000
 JJZ      NAO    NAP    CAQ     120.000    3.000
 JJZ      NAP    CAQ    HAQ     120.000    3.000
 JJZ      NAP    CAQ    CAU     120.000    3.000
 JJZ      HAQ    CAQ    CAU     120.000    3.000
 JJZ      CAQ    CAU    CAV     120.000    3.000
 JJZ      CAQ    CAU    CAT     120.000    3.000
 JJZ      CAV    CAU    CAT     120.000    3.000
 JJZ      CAU    CAV    CBC     120.000    3.000
 JJZ      CAU    CAV    CAW     120.000    3.000
 JJZ      CBC    CAV    CAW     120.000    3.000
 JJZ      CAV    CBC    CBD     120.000    3.000
 JJZ      CAV    CBC    CBB     120.000    3.000
 JJZ      CBD    CBC    CBB     120.000    3.000
 JJZ      CBC    CBD    HBD     120.000    3.000
 JJZ      CBC    CBD    CBE     120.000    3.000
 JJZ      HBD    CBD    CBE     120.000    3.000
 JJZ      CBD    CBE    HBE     120.000    3.000
 JJZ      CBD    CBE    CAX     120.000    3.000
 JJZ      HBE    CBE    CAX     120.000    3.000
 JJZ      CBE    CAX    HAX     120.000    3.000
 JJZ      CBE    CAX    CAW     120.000    3.000
 JJZ      HAX    CAX    CAW     120.000    3.000
 JJZ      CAX    CAW    HAW     120.000    3.000
 JJZ      CAX    CAW    CAV     120.000    3.000
 JJZ      HAW    CAW    CAV     120.000    3.000
 JJZ      CBC    CBB    HBB     120.000    3.000
 JJZ      CBC    CBB    CBA     120.000    3.000
 JJZ      HBB    CBB    CBA     120.000    3.000
 JJZ      CBB    CBA    CAT     120.000    3.000
 JJZ      CBB    CBA    CAZ     120.000    3.000
 JJZ      CAT    CBA    CAZ     120.000    3.000
 JJZ      CBA    CAT    CAS     120.000    3.000
 JJZ      CBA    CAT    CAU     120.000    3.000
 JJZ      CAS    CAT    CAU     120.000    3.000
 JJZ      CAT    CAS    HAS     120.000    3.000
 JJZ      CAT    CAS    CAR     120.000    3.000
 JJZ      HAS    CAS    CAR     120.000    3.000
 JJZ      CBA    CAZ    HAZ     120.000    3.000
 JJZ      CBA    CAZ    CAY     120.000    3.000
 JJZ      HAZ    CAZ    CAY     120.000    3.000
 JJZ      CAZ    CAY    HAY     120.000    3.000
 JJZ      CAZ    CAY    CAR     120.000    3.000
 JJZ      HAY    CAY    CAR     120.000    3.000
 JJZ      CAY    CAR    HAR     120.000    3.000
 JJZ      CAY    CAR    CAS     120.000    3.000
 JJZ      HAR    CAR    CAS     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
 JJZ      CONST_1  CLAF   CAG    CAA    CAB      180.000    0.000   0
 JJZ      CONST_2  CAG    CAA    CAB    CAC        0.000    0.000   0
 JJZ      CONST_3  CLAF   CAG    CAH    CAI      180.000    0.000   0
 JJZ      CONST_4  CAG    CAH    CAI    NAJ      180.000    0.000   0
 JJZ      CONST_5  CAH    CAI    CAC    CAB        0.000    0.000   0
 JJZ      CONST_6  CAI    CAC    CAB    CAA        0.000    0.000   0
 JJZ      var_1    CAH    CAI    NAJ    CAK     -146.793   20.000   1
 JJZ      CONST_7  CAI    NAJ    CAK    CAL      180.000    0.000   0
 JJZ      var_2    NAJ    CAK    CAL    CAM      179.978   20.000   3
 JJZ      var_3    CAK    CAL    CAM    CAN      179.959   20.000   3
 JJZ      var_4    CAL    CAM    CAN    NAO     -179.987   20.000   3
 JJZ      CONST_8  CAM    CAN    NAO    NAP      180.000    0.000   0
 JJZ      var_5    CAN    NAO    NAP    CAQ      179.960   20.000   1
 JJZ      CONST_9  NAO    NAP    CAQ    CAU      179.928    0.000   0
 JJZ      var_6    NAP    CAQ    CAU    CAV     -174.277   20.000   1
 JJZ      CONST_10 CAQ    CAU    CAV    CBC      180.000    0.000   0
 JJZ      CONST_11 CAU    CAV    CAW    CAX      180.000    0.000   0
 JJZ      CONST_12 CAU    CAV    CBC    CBB        0.000    0.000   0
 JJZ      CONST_13 CAV    CBC    CBD    CBE        0.000    0.000   0
 JJZ      CONST_14 CBC    CBD    CBE    CAX        0.000    0.000   0
 JJZ      CONST_15 CBD    CBE    CAX    CAW        0.000    0.000   0
 JJZ      CONST_16 CBE    CAX    CAW    CAV        0.000    0.000   0
 JJZ      CONST_17 CAV    CBC    CBB    CBA        0.000    0.000   0
 JJZ      CONST_18 CBC    CBB    CBA    CAZ      180.000    0.000   0
 JJZ      CONST_19 CBB    CBA    CAT    CAS      180.000    0.000   0
 JJZ      CONST_20 CBA    CAT    CAU    CAQ      180.000    0.000   0
 JJZ      CONST_21 CBA    CAT    CAS    CAR        0.000    0.000   0
 JJZ      CONST_22 CBB    CBA    CAZ    CAY      180.000    0.000   0
 JJZ      CONST_23 CBA    CAZ    CAY    CAR        0.000    0.000   0
 JJZ      CONST_24 CAZ    CAY    CAR    CAS        0.000    0.000   0
 JJZ      CONST_25 CAY    CAR    CAS    CAT        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
 JJZ      plan-1    CAA       0.020
 JJZ      plan-1    CAB       0.020
 JJZ      plan-1    CAG       0.020
 JJZ      plan-1    HAA       0.020
 JJZ      plan-1    CAC       0.020
 JJZ      plan-1    CAH       0.020
 JJZ      plan-1    CAI       0.020
 JJZ      plan-1    HAB       0.020
 JJZ      plan-1    HAC       0.020
 JJZ      plan-1    CLAF      0.020
 JJZ      plan-1    HAH       0.020
 JJZ      plan-1    NAJ       0.020
 JJZ      plan-1    HNAJ      0.020
 JJZ      plan-2    NAJ       0.020
 JJZ      plan-2    CAI       0.020
 JJZ      plan-2    CAK       0.020
 JJZ      plan-2    HNAJ      0.020
 JJZ      plan-3    CAK       0.020
 JJZ      plan-3    OAD       0.020
 JJZ      plan-3    NAJ       0.020
 JJZ      plan-3    CAL       0.020
 JJZ      plan-3    HNAJ      0.020
 JJZ      plan-4    CAN       0.020
 JJZ      plan-4    OAE       0.020
 JJZ      plan-4    CAM       0.020
 JJZ      plan-4    NAO       0.020
 JJZ      plan-4    HNAO      0.020
 JJZ      plan-5    NAO       0.020
 JJZ      plan-5    CAN       0.020
 JJZ      plan-5    NAP       0.020
 JJZ      plan-5    HNAO      0.020
 JJZ      plan-6    NAP       0.020
 JJZ      plan-6    NAO       0.020
 JJZ      plan-6    CAQ       0.020
 JJZ      plan-6    CAU       0.020
 JJZ      plan-6    HAQ       0.020
 JJZ      plan-6    HNAO      0.020
 JJZ      plan-7    CAR       0.020
 JJZ      plan-7    CAS       0.020
 JJZ      plan-7    CAY       0.020
 JJZ      plan-7    HAR       0.020
 JJZ      plan-7    CAZ       0.020
 JJZ      plan-7    CAT       0.020
 JJZ      plan-7    HAS       0.020
 JJZ      plan-7    CAU       0.020
 JJZ      plan-7    CBA       0.020
 JJZ      plan-7    CBB       0.020
 JJZ      plan-7    CAQ       0.020
 JJZ      plan-7    CAV       0.020
 JJZ      plan-7    CAW       0.020
 JJZ      plan-7    CBC       0.020
 JJZ      plan-7    CAX       0.020
 JJZ      plan-7    CBD       0.020
 JJZ      plan-7    CBE       0.020
 JJZ      plan-7    HAW       0.020
 JJZ      plan-7    HAX       0.020
 JJZ      plan-7    HAY       0.020
 JJZ      plan-7    HAZ       0.020
 JJZ      plan-7    HBB       0.020
 JJZ      plan-7    HBD       0.020
 JJZ      plan-7    HBE       0.020
 JJZ      plan-7    HAQ       0.020
# ------------------------------------------------------
