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
ZZW      ZZW '9-(4-fluorobenzyl)-N-hydroxy-9H-beta' non-polymer        39  25 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZZW
#
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
 ZZW           FAC    F    F         0.000      0.000    0.000    0.000
 ZZW           CAR    C    CR6       0.000     -1.263   -0.030    0.478
 ZZW           CAF    C    CR16      0.000     -1.978    1.147    0.623
 ZZW           HAF    H    H         0.000     -1.524    2.093    0.354
 ZZW           CAG    C    CR16      0.000     -1.846   -1.239    0.822
 ZZW           HAG    H    H         0.000     -1.288   -2.161    0.709
 ZZW           CAI    C    CR16      0.000     -3.138   -1.269    1.309
 ZZW           HAI    H    H         0.000     -3.593   -2.214    1.578
 ZZW           CAS    C    CR6       0.000     -3.851   -0.093    1.453
 ZZW           CAH    C    CR16      0.000     -3.270    1.115    1.111
 ZZW           HAH    H    H         0.000     -3.828    2.035    1.225
 ZZW           CAN    C    CH2       0.000     -5.260   -0.127    1.985
 ZZW           HAN    H    H         0.000     -5.469    0.801    2.521
 ZZW           HANA   H    H         0.000     -5.371   -0.973    2.667
 ZZW           NAY    N    NR5       0.000     -6.200   -0.271    0.869
 ZZW           CAW    C    CR56      0.000     -6.643   -1.479    0.363
 ZZW           CAK    C    CR16      0.000     -6.369   -2.798    0.713
 ZZW           HAK    H    H         0.000     -5.687   -3.011    1.527
 ZZW           CAE    C    CR16      0.000     -6.964   -3.832    0.023
 ZZW           HAE    H    H         0.000     -6.748   -4.857    0.300
 ZZW           CAU    C    CR56      0.000     -7.528   -1.218   -0.696
 ZZW           CAJ    C    CR16      0.000     -8.121   -2.274   -1.383
 ZZW           HAJ    H    H         0.000     -8.805   -2.075   -2.200
 ZZW           CAD    C    CR16      0.000     -7.836   -3.573   -1.022
 ZZW           HAD    H    H         0.000     -8.296   -4.394   -1.557
 ZZW           CAX    C    CR56      0.000     -6.765    0.777    0.177
 ZZW           CAL    C    CR16      0.000     -6.651    2.163    0.287
 ZZW           HAL    H    H         0.000     -6.006    2.589    1.045
 ZZW           CAV    C    CR56      0.000     -7.607    0.247   -0.817
 ZZW           CAM    C    CR16      0.000     -8.295    1.122   -1.652
 ZZW           HAM    H    H         0.000     -8.952    0.746   -2.427
 ZZW           CAT    C    CR6       0.000     -8.122    2.492   -1.472
 ZZW           NAO    N    NRD6      0.000     -7.316    2.956   -0.519
 ZZW           CAQ    C    C         0.000     -8.843    3.440   -2.346
 ZZW           OAA    O    O         0.000     -9.581    3.023   -3.218
 ZZW           NAP    N    NH1       0.000     -8.682    4.768   -2.178
 ZZW           HNAP   H    H         0.000     -8.069    5.115   -1.454
 ZZW           OAB    O    OH1       0.000     -9.371    5.677   -3.017
 ZZW           HOAB   H    H         0.000     -9.258    6.635   -2.901
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
 ZZW      FAC    n/a    CAR    START
 ZZW      CAR    FAC    CAG    .
 ZZW      CAF    CAR    HAF    .
 ZZW      HAF    CAF    .      .
 ZZW      CAG    CAR    CAI    .
 ZZW      HAG    CAG    .      .
 ZZW      CAI    CAG    CAS    .
 ZZW      HAI    CAI    .      .
 ZZW      CAS    CAI    CAN    .
 ZZW      CAH    CAS    HAH    .
 ZZW      HAH    CAH    .      .
 ZZW      CAN    CAS    NAY    .
 ZZW      HAN    CAN    .      .
 ZZW      HANA   CAN    .      .
 ZZW      NAY    CAN    CAX    .
 ZZW      CAW    NAY    CAU    .
 ZZW      CAK    CAW    CAE    .
 ZZW      HAK    CAK    .      .
 ZZW      CAE    CAK    HAE    .
 ZZW      HAE    CAE    .      .
 ZZW      CAU    CAW    CAJ    .
 ZZW      CAJ    CAU    CAD    .
 ZZW      HAJ    CAJ    .      .
 ZZW      CAD    CAJ    HAD    .
 ZZW      HAD    CAD    .      .
 ZZW      CAX    NAY    CAV    .
 ZZW      CAL    CAX    HAL    .
 ZZW      HAL    CAL    .      .
 ZZW      CAV    CAX    CAM    .
 ZZW      CAM    CAV    CAT    .
 ZZW      HAM    CAM    .      .
 ZZW      CAT    CAM    CAQ    .
 ZZW      NAO    CAT    .      .
 ZZW      CAQ    CAT    NAP    .
 ZZW      OAA    CAQ    .      .
 ZZW      NAP    CAQ    OAB    .
 ZZW      HNAP   NAP    .      .
 ZZW      OAB    NAP    HOAB   .
 ZZW      HOAB   OAB    .      END
 ZZW      CAD    CAE    .    ADD
 ZZW      CAF    CAH    .    ADD
 ZZW      CAL    NAO    .    ADD
 ZZW      CAU    CAV    .    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
 ZZW      OAA    CAQ       double      1.220    0.020
 ZZW      OAB    NAP       single      1.392    0.020
 ZZW      HOAB   OAB       single      0.967    0.020
 ZZW      CAR    FAC       single      1.345    0.020
 ZZW      CAD    CAE       double      1.390    0.020
 ZZW      CAD    CAJ       single      1.390    0.020
 ZZW      HAD    CAD       single      1.083    0.020
 ZZW      CAE    CAK       single      1.390    0.020
 ZZW      HAE    CAE       single      1.083    0.020
 ZZW      CAF    CAH       double      1.390    0.020
 ZZW      CAF    CAR       single      1.390    0.020
 ZZW      HAF    CAF       single      1.083    0.020
 ZZW      CAI    CAG       single      1.390    0.020
 ZZW      CAG    CAR       double      1.390    0.020
 ZZW      HAG    CAG       single      1.083    0.020
 ZZW      CAH    CAS       single      1.390    0.020
 ZZW      HAH    CAH       single      1.083    0.020
 ZZW      CAS    CAI       double      1.390    0.020
 ZZW      HAI    CAI       single      1.083    0.020
 ZZW      CAJ    CAU       double      1.390    0.020
 ZZW      HAJ    CAJ       single      1.083    0.020
 ZZW      CAK    CAW       double      1.390    0.020
 ZZW      HAK    CAK       single      1.083    0.020
 ZZW      CAL    NAO       double      1.337    0.020
 ZZW      CAL    CAX       single      1.390    0.020
 ZZW      HAL    CAL       single      1.083    0.020
 ZZW      CAT    CAM       double      1.390    0.020
 ZZW      CAM    CAV       single      1.390    0.020
 ZZW      HAM    CAM       single      1.083    0.020
 ZZW      CAN    CAS       single      1.511    0.020
 ZZW      NAY    CAN       single      1.462    0.020
 ZZW      HAN    CAN       single      1.092    0.020
 ZZW      HANA   CAN       single      1.092    0.020
 ZZW      NAO    CAT       single      1.350    0.020
 ZZW      NAP    CAQ       single      1.330    0.020
 ZZW      HNAP   NAP       single      1.010    0.020
 ZZW      CAQ    CAT       single      1.500    0.020
 ZZW      CAU    CAV       single      1.490    0.020
 ZZW      CAU    CAW       single      1.490    0.020
 ZZW      CAV    CAX       double      1.490    0.020
 ZZW      CAW    NAY       single      1.337    0.020
 ZZW      CAX    NAY       single      1.337    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
 ZZW      FAC    CAR    CAF     120.000    3.000
 ZZW      FAC    CAR    CAG     120.000    3.000
 ZZW      CAF    CAR    CAG     120.000    3.000
 ZZW      CAR    CAF    HAF     120.000    3.000
 ZZW      CAR    CAF    CAH     120.000    3.000
 ZZW      HAF    CAF    CAH     120.000    3.000
 ZZW      CAR    CAG    HAG     120.000    3.000
 ZZW      CAR    CAG    CAI     120.000    3.000
 ZZW      HAG    CAG    CAI     120.000    3.000
 ZZW      CAG    CAI    HAI     120.000    3.000
 ZZW      CAG    CAI    CAS     120.000    3.000
 ZZW      HAI    CAI    CAS     120.000    3.000
 ZZW      CAI    CAS    CAH     120.000    3.000
 ZZW      CAI    CAS    CAN     120.000    3.000
 ZZW      CAH    CAS    CAN     120.000    3.000
 ZZW      CAS    CAH    HAH     120.000    3.000
 ZZW      CAS    CAH    CAF     120.000    3.000
 ZZW      HAH    CAH    CAF     120.000    3.000
 ZZW      CAS    CAN    HAN     109.470    3.000
 ZZW      CAS    CAN    HANA    109.470    3.000
 ZZW      CAS    CAN    NAY     109.500    3.000
 ZZW      HAN    CAN    HANA    107.900    3.000
 ZZW      HAN    CAN    NAY     109.500    3.000
 ZZW      HANA   CAN    NAY     109.500    3.000
 ZZW      CAN    NAY    CAW     126.000    3.000
 ZZW      CAN    NAY    CAX     126.000    3.000
 ZZW      CAW    NAY    CAX     108.000    3.000
 ZZW      NAY    CAW    CAK     132.000    3.000
 ZZW      NAY    CAW    CAU     108.000    3.000
 ZZW      CAK    CAW    CAU     120.000    3.000
 ZZW      CAW    CAK    HAK     120.000    3.000
 ZZW      CAW    CAK    CAE     120.000    3.000
 ZZW      HAK    CAK    CAE     120.000    3.000
 ZZW      CAK    CAE    HAE     120.000    3.000
 ZZW      CAK    CAE    CAD     120.000    3.000
 ZZW      HAE    CAE    CAD     120.000    3.000
 ZZW      CAW    CAU    CAJ     120.000    3.000
 ZZW      CAW    CAU    CAV     120.000    3.000
 ZZW      CAJ    CAU    CAV     120.000    3.000
 ZZW      CAU    CAJ    HAJ     120.000    3.000
 ZZW      CAU    CAJ    CAD     120.000    3.000
 ZZW      HAJ    CAJ    CAD     120.000    3.000
 ZZW      CAJ    CAD    HAD     120.000    3.000
 ZZW      CAJ    CAD    CAE     120.000    3.000
 ZZW      HAD    CAD    CAE     120.000    3.000
 ZZW      NAY    CAX    CAL     132.000    3.000
 ZZW      NAY    CAX    CAV     108.000    3.000
 ZZW      CAL    CAX    CAV     120.000    3.000
 ZZW      CAX    CAL    HAL     120.000    3.000
 ZZW      CAX    CAL    NAO     120.000    3.000
 ZZW      HAL    CAL    NAO     120.000    3.000
 ZZW      CAX    CAV    CAM     120.000    3.000
 ZZW      CAX    CAV    CAU     120.000    3.000
 ZZW      CAM    CAV    CAU     120.000    3.000
 ZZW      CAV    CAM    HAM     120.000    3.000
 ZZW      CAV    CAM    CAT     120.000    3.000
 ZZW      HAM    CAM    CAT     120.000    3.000
 ZZW      CAM    CAT    NAO     120.000    3.000
 ZZW      CAM    CAT    CAQ     120.000    3.000
 ZZW      NAO    CAT    CAQ     120.000    3.000
 ZZW      CAT    NAO    CAL     120.000    3.000
 ZZW      CAT    CAQ    OAA     120.500    3.000
 ZZW      CAT    CAQ    NAP     120.000    3.000
 ZZW      OAA    CAQ    NAP     123.000    3.000
 ZZW      CAQ    NAP    HNAP    120.000    3.000
 ZZW      CAQ    NAP    OAB     120.000    3.000
 ZZW      HNAP   NAP    OAB     120.200    3.000
 ZZW      NAP    OAB    HOAB    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
 ZZW      CONST_1  FAC    CAR    CAF    CAH      180.000    0.000   0
 ZZW      CONST_2  CAR    CAF    CAH    CAS        0.000    0.000   0
 ZZW      CONST_3  FAC    CAR    CAG    CAI      180.000    0.000   0
 ZZW      CONST_4  CAR    CAG    CAI    CAS        0.000    0.000   0
 ZZW      CONST_5  CAG    CAI    CAS    CAN      180.000    0.000   0
 ZZW      CONST_6  CAI    CAS    CAH    CAF        0.000    0.000   0
 ZZW      var_1    CAI    CAS    CAN    NAY      -90.082   20.000   2
 ZZW      var_2    CAS    CAN    NAY    CAX      -89.938   20.000   1
 ZZW      CONST_7  CAN    NAY    CAW    CAU      180.000    0.000   0
 ZZW      CONST_8  NAY    CAW    CAK    CAE      180.000    0.000   0
 ZZW      CONST_9  CAW    CAK    CAE    CAD        0.000    0.000   0
 ZZW      CONST_10 NAY    CAW    CAU    CAJ      180.000    0.000   0
 ZZW      CONST_11 CAW    CAU    CAV    CAX        0.000    0.000   0
 ZZW      CONST_12 CAW    CAU    CAJ    CAD        0.000    0.000   0
 ZZW      CONST_13 CAU    CAJ    CAD    CAE        0.000    0.000   0
 ZZW      CONST_14 CAJ    CAD    CAE    CAK        0.000    0.000   0
 ZZW      CONST_15 CAN    NAY    CAX    CAV      180.000    0.000   0
 ZZW      CONST_16 NAY    CAX    CAL    NAO      180.000    0.000   0
 ZZW      CONST_17 CAX    CAL    NAO    CAT        0.000    0.000   0
 ZZW      CONST_18 NAY    CAX    CAV    CAM      180.000    0.000   0
 ZZW      CONST_19 CAX    CAV    CAM    CAT        0.000    0.000   0
 ZZW      CONST_20 CAV    CAM    CAT    CAQ      180.000    0.000   0
 ZZW      CONST_21 CAM    CAT    NAO    CAL        0.000    0.000   0
 ZZW      var_3    CAM    CAT    CAQ    NAP      179.968   20.000   1
 ZZW      CONST_22 CAT    CAQ    NAP    OAB      180.000    0.000   0
 ZZW      var_4    CAQ    NAP    OAB    HOAB    -179.927   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
 ZZW      plan-1    CAD       0.020
 ZZW      plan-1    CAE       0.020
 ZZW      plan-1    CAJ       0.020
 ZZW      plan-1    HAD       0.020
 ZZW      plan-1    CAK       0.020
 ZZW      plan-1    HAE       0.020
 ZZW      plan-1    CAU       0.020
 ZZW      plan-1    HAJ       0.020
 ZZW      plan-1    CAW       0.020
 ZZW      plan-1    HAK       0.020
 ZZW      plan-1    CAV       0.020
 ZZW      plan-1    CAX       0.020
 ZZW      plan-1    NAY       0.020
 ZZW      plan-1    CAM       0.020
 ZZW      plan-1    CAL       0.020
 ZZW      plan-1    CAN       0.020
 ZZW      plan-1    NAO       0.020
 ZZW      plan-1    CAT       0.020
 ZZW      plan-1    HAL       0.020
 ZZW      plan-1    HAM       0.020
 ZZW      plan-1    CAQ       0.020
 ZZW      plan-2    CAF       0.020
 ZZW      plan-2    CAH       0.020
 ZZW      plan-2    CAR       0.020
 ZZW      plan-2    HAF       0.020
 ZZW      plan-2    CAG       0.020
 ZZW      plan-2    CAI       0.020
 ZZW      plan-2    CAS       0.020
 ZZW      plan-2    HAG       0.020
 ZZW      plan-2    HAH       0.020
 ZZW      plan-2    HAI       0.020
 ZZW      plan-2    FAC       0.020
 ZZW      plan-2    CAN       0.020
 ZZW      plan-3    NAP       0.020
 ZZW      plan-3    OAB       0.020
 ZZW      plan-3    CAQ       0.020
 ZZW      plan-3    HNAP      0.020
 ZZW      plan-4    CAQ       0.020
 ZZW      plan-4    OAA       0.020
 ZZW      plan-4    NAP       0.020
 ZZW      plan-4    CAT       0.020
 ZZW      plan-4    HNAP      0.020
# ------------------------------------------------------
