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
JZV      JZV '"methyl (2E)-(methoxyimino)(2-{[({(1' non-polymer        48  29 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_JZV
#
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
 JZV           FBC    F    F         0.000      0.000    0.000    0.000
 JZV           CAW    C    CT        0.000     -0.611    1.014    0.745
 JZV           FAO    F    F         0.000      0.118    1.235    1.919
 JZV           FAX    F    F         0.000     -0.647    2.191   -0.011
 JZV           CAV    C    CR6       0.000     -2.017    0.601    1.097
 JZV           CAU    C    CR16      0.000     -3.016    1.551    1.168
 JZV           HAU    H    H         0.000     -2.790    2.591    0.972
 JZV           CBB    C    CR16      0.000     -2.303   -0.728    1.350
 JZV           HBB    H    H         0.000     -1.516   -1.469    1.290
 JZV           CBA    C    CR16      0.000     -3.590   -1.116    1.679
 JZV           HBA    H    H         0.000     -3.807   -2.158    1.878
 JZV           CAZ    C    CR16      0.000     -4.599   -0.177    1.752
 JZV           HAZ    H    H         0.000     -5.606   -0.480    2.010
 JZV           CAT    C    CR6       0.000     -4.317    1.166    1.495
 JZV           CAS    C    C         0.000     -5.391    2.177    1.571
 JZV           CAY    C    CH3       0.000     -5.088    3.561    2.083
 JZV           HAYB   H    H         0.000     -4.083    3.811    1.857
 JZV           HAYA   H    H         0.000     -5.737    4.260    1.622
 JZV           HAY    H    H         0.000     -5.229    3.589    3.133
 JZV           NAR    N    N         0.000     -6.592    1.873    1.200
 JZV           OAQ    O    O2        0.000     -6.853    0.616    0.602
 JZV           CAP    C    CH2       0.000     -8.194    0.461    0.134
 JZV           HAP    H    H         0.000     -8.406    1.221   -0.622
 JZV           HAPA   H    H         0.000     -8.887    0.579    0.970
 JZV           CAH    C    CR6       0.000     -8.361   -0.910   -0.469
 JZV           CAG    C    CR16      0.000     -7.270   -1.744   -0.601
 JZV           HAG    H    H         0.000     -6.293   -1.412   -0.273
 JZV           CAA    C    CR16      0.000     -7.422   -3.003   -1.153
 JZV           HAA    H    H         0.000     -6.563   -3.655   -1.254
 JZV           CAI    C    CR6       0.000     -9.618   -1.337   -0.894
 JZV           CAC    C    CR16      0.000     -9.765   -2.607   -1.450
 JZV           HAC    H    H         0.000    -10.739   -2.945   -1.782
 JZV           CAB    C    CR16      0.000     -8.667   -3.433   -1.577
 JZV           HAB    H    H         0.000     -8.780   -4.420   -2.010
 JZV           CAJ    C    C         0.000    -10.794   -0.445   -0.756
 JZV           CAK    C    C         0.000    -10.862    0.814   -1.531
 JZV           OAN    O    O        -0.500     -9.978    1.078   -2.375
 JZV           OAL    O    O2       -0.500    -11.806    1.614   -1.341
 JZV           CAM    C    CH3       0.000    -11.881    2.891   -2.122
 JZV           HAMB   H    H         0.000    -11.016    3.486   -1.944
 JZV           HAMA   H    H         0.000    -11.942    2.685   -3.165
 JZV           HAM    H    H         0.000    -12.741    3.450   -1.836
 JZV           NAD    N    N         0.000    -11.765   -0.770    0.046
 JZV           OAE    O    O2        0.000    -11.724   -2.000    0.748
 JZV           CAF    C    CH3       0.000    -12.855   -2.225    1.592
 JZV           HAFB   H    H         0.000    -13.739   -2.228    1.007
 JZV           HAFA   H    H         0.000    -12.752   -3.159    2.080
 JZV           HAF    H    H         0.000    -12.915   -1.454    2.316
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
 JZV      FBC    n/a    CAW    START
 JZV      CAW    FBC    CAV    .
 JZV      FAO    CAW    .      .
 JZV      FAX    CAW    .      .
 JZV      CAV    CAW    CBB    .
 JZV      CAU    CAV    HAU    .
 JZV      HAU    CAU    .      .
 JZV      CBB    CAV    CBA    .
 JZV      HBB    CBB    .      .
 JZV      CBA    CBB    CAZ    .
 JZV      HBA    CBA    .      .
 JZV      CAZ    CBA    CAT    .
 JZV      HAZ    CAZ    .      .
 JZV      CAT    CAZ    CAS    .
 JZV      CAS    CAT    NAR    .
 JZV      CAY    CAS    HAY    .
 JZV      HAYB   CAY    .      .
 JZV      HAYA   CAY    .      .
 JZV      HAY    CAY    .      .
 JZV      NAR    CAS    OAQ    .
 JZV      OAQ    NAR    CAP    .
 JZV      CAP    OAQ    CAH    .
 JZV      HAP    CAP    .      .
 JZV      HAPA   CAP    .      .
 JZV      CAH    CAP    CAI    .
 JZV      CAG    CAH    CAA    .
 JZV      HAG    CAG    .      .
 JZV      CAA    CAG    HAA    .
 JZV      HAA    CAA    .      .
 JZV      CAI    CAH    CAJ    .
 JZV      CAC    CAI    CAB    .
 JZV      HAC    CAC    .      .
 JZV      CAB    CAC    HAB    .
 JZV      HAB    CAB    .      .
 JZV      CAJ    CAI    NAD    .
 JZV      CAK    CAJ    OAL    .
 JZV      OAN    CAK    .      .
 JZV      OAL    CAK    CAM    .
 JZV      CAM    OAL    HAM    .
 JZV      HAMB   CAM    .      .
 JZV      HAMA   CAM    .      .
 JZV      HAM    CAM    .      .
 JZV      NAD    CAJ    OAE    .
 JZV      OAE    NAD    CAF    .
 JZV      CAF    OAE    HAF    .
 JZV      HAFB   CAF    .      .
 JZV      HAFA   CAF    .      .
 JZV      HAF    CAF    .      END
 JZV      CAA    CAB    .    ADD
 JZV      CAT    CAU    .    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
 JZV      CAA    CAB       double      1.390    0.020
 JZV      CAA    CAG       single      1.390    0.020
 JZV      CAB    CAC       single      1.390    0.020
 JZV      CAC    CAI       double      1.390    0.020
 JZV      OAE    NAD       single      1.255    0.020
 JZV      NAD    CAJ       double      1.260    0.020
 JZV      CAF    OAE       single      1.426    0.020
 JZV      CAG    CAH       double      1.390    0.020
 JZV      CAI    CAH       single      1.487    0.020
 JZV      CAH    CAP       single      1.511    0.020
 JZV      CAJ    CAI       single      1.500    0.020
 JZV      CAK    CAJ       single      1.460    0.020
 JZV      OAL    CAK       deloc       1.454    0.020
 JZV      OAN    CAK       deloc       1.220    0.020
 JZV      CAM    OAL       single      1.426    0.020
 JZV      FAO    CAW       single      1.320    0.020
 JZV      CAP    OAQ       single      1.426    0.020
 JZV      OAQ    NAR       single      1.255    0.020
 JZV      NAR    CAS       double      1.260    0.020
 JZV      CAS    CAT       single      1.500    0.020
 JZV      CAY    CAS       single      1.500    0.020
 JZV      CAT    CAU       double      1.390    0.020
 JZV      CAT    CAZ       single      1.390    0.020
 JZV      CAU    CAV       single      1.390    0.020
 JZV      CAV    CAW       single      1.500    0.020
 JZV      CBB    CAV       double      1.390    0.020
 JZV      FAX    CAW       single      1.320    0.020
 JZV      CAW    FBC       single      1.320    0.020
 JZV      CAZ    CBA       double      1.390    0.020
 JZV      CBA    CBB       single      1.390    0.020
 JZV      HAA    CAA       single      1.083    0.020
 JZV      HAB    CAB       single      1.083    0.020
 JZV      HAC    CAC       single      1.083    0.020
 JZV      HAF    CAF       single      1.059    0.020
 JZV      HAFA   CAF       single      1.059    0.020
 JZV      HAFB   CAF       single      1.059    0.020
 JZV      HAG    CAG       single      1.083    0.020
 JZV      HAM    CAM       single      1.059    0.020
 JZV      HAMA   CAM       single      1.059    0.020
 JZV      HAMB   CAM       single      1.059    0.020
 JZV      HAP    CAP       single      1.092    0.020
 JZV      HAPA   CAP       single      1.092    0.020
 JZV      HAU    CAU       single      1.083    0.020
 JZV      HAY    CAY       single      1.059    0.020
 JZV      HAYA   CAY       single      1.059    0.020
 JZV      HAYB   CAY       single      1.059    0.020
 JZV      HAZ    CAZ       single      1.083    0.020
 JZV      HBA    CBA       single      1.083    0.020
 JZV      HBB    CBB       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
 JZV      FBC    CAW    FAO     109.470    3.000
 JZV      FBC    CAW    FAX     109.470    3.000
 JZV      FBC    CAW    CAV     109.470    3.000
 JZV      FAO    CAW    FAX     109.470    3.000
 JZV      FAO    CAW    CAV     109.470    3.000
 JZV      FAX    CAW    CAV     109.470    3.000
 JZV      CAW    CAV    CAU     120.000    3.000
 JZV      CAW    CAV    CBB     120.000    3.000
 JZV      CAU    CAV    CBB     120.000    3.000
 JZV      CAV    CAU    HAU     120.000    3.000
 JZV      CAV    CAU    CAT     120.000    3.000
 JZV      HAU    CAU    CAT     120.000    3.000
 JZV      CAV    CBB    HBB     120.000    3.000
 JZV      CAV    CBB    CBA     120.000    3.000
 JZV      HBB    CBB    CBA     120.000    3.000
 JZV      CBB    CBA    HBA     120.000    3.000
 JZV      CBB    CBA    CAZ     120.000    3.000
 JZV      HBA    CBA    CAZ     120.000    3.000
 JZV      CBA    CAZ    HAZ     120.000    3.000
 JZV      CBA    CAZ    CAT     120.000    3.000
 JZV      HAZ    CAZ    CAT     120.000    3.000
 JZV      CAZ    CAT    CAS     120.000    3.000
 JZV      CAZ    CAT    CAU     120.000    3.000
 JZV      CAS    CAT    CAU     120.000    3.000
 JZV      CAT    CAS    CAY     120.000    3.000
 JZV      CAT    CAS    NAR     120.000    3.000
 JZV      CAY    CAS    NAR     116.500    3.000
 JZV      CAS    CAY    HAYB    109.470    3.000
 JZV      CAS    CAY    HAYA    109.470    3.000
 JZV      CAS    CAY    HAY     109.470    3.000
 JZV      HAYB   CAY    HAYA    109.470    3.000
 JZV      HAYB   CAY    HAY     109.470    3.000
 JZV      HAYA   CAY    HAY     109.470    3.000
 JZV      CAS    NAR    OAQ     120.000    3.000
 JZV      NAR    OAQ    CAP     120.000    3.000
 JZV      OAQ    CAP    HAP     109.470    3.000
 JZV      OAQ    CAP    HAPA    109.470    3.000
 JZV      OAQ    CAP    CAH     109.470    3.000
 JZV      HAP    CAP    HAPA    107.900    3.000
 JZV      HAP    CAP    CAH     109.470    3.000
 JZV      HAPA   CAP    CAH     109.470    3.000
 JZV      CAP    CAH    CAG     120.000    3.000
 JZV      CAP    CAH    CAI     120.000    3.000
 JZV      CAG    CAH    CAI     120.000    3.000
 JZV      CAH    CAG    HAG     120.000    3.000
 JZV      CAH    CAG    CAA     120.000    3.000
 JZV      HAG    CAG    CAA     120.000    3.000
 JZV      CAG    CAA    HAA     120.000    3.000
 JZV      CAG    CAA    CAB     120.000    3.000
 JZV      HAA    CAA    CAB     120.000    3.000
 JZV      CAH    CAI    CAC     120.000    3.000
 JZV      CAH    CAI    CAJ     120.000    3.000
 JZV      CAC    CAI    CAJ     120.000    3.000
 JZV      CAI    CAC    HAC     120.000    3.000
 JZV      CAI    CAC    CAB     120.000    3.000
 JZV      HAC    CAC    CAB     120.000    3.000
 JZV      CAC    CAB    HAB     120.000    3.000
 JZV      CAC    CAB    CAA     120.000    3.000
 JZV      HAB    CAB    CAA     120.000    3.000
 JZV      CAI    CAJ    CAK     120.000    3.000
 JZV      CAI    CAJ    NAD     120.000    3.000
 JZV      CAK    CAJ    NAD     116.500    3.000
 JZV      CAJ    CAK    OAN     120.500    3.000
 JZV      CAJ    CAK    OAL     120.000    3.000
 JZV      OAN    CAK    OAL     119.000    3.000
 JZV      CAK    OAL    CAM     120.000    3.000
 JZV      OAL    CAM    HAMB    109.470    3.000
 JZV      OAL    CAM    HAMA    109.470    3.000
 JZV      OAL    CAM    HAM     109.470    3.000
 JZV      HAMB   CAM    HAMA    109.470    3.000
 JZV      HAMB   CAM    HAM     109.470    3.000
 JZV      HAMA   CAM    HAM     109.470    3.000
 JZV      CAJ    NAD    OAE     120.000    3.000
 JZV      NAD    OAE    CAF     120.000    3.000
 JZV      OAE    CAF    HAFB    109.470    3.000
 JZV      OAE    CAF    HAFA    109.470    3.000
 JZV      OAE    CAF    HAF     109.470    3.000
 JZV      HAFB   CAF    HAFA    109.470    3.000
 JZV      HAFB   CAF    HAF     109.470    3.000
 JZV      HAFA   CAF    HAF     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
 JZV      var_1    FBC    CAW    CAV    CBB       34.210   20.000   1
 JZV      CONST_1  CAW    CAV    CAU    CAT      180.000    0.000   0
 JZV      CONST_2  CAW    CAV    CBB    CBA      180.000    0.000   0
 JZV      CONST_3  CAV    CBB    CBA    CAZ        0.000    0.000   0
 JZV      CONST_4  CBB    CBA    CAZ    CAT        0.000    0.000   0
 JZV      CONST_5  CBA    CAZ    CAT    CAS      180.000    0.000   0
 JZV      CONST_6  CAZ    CAT    CAU    CAV        0.000    0.000   0
 JZV      var_2    CAZ    CAT    CAS    NAR      -35.338   20.000   1
 JZV      var_3    CAT    CAS    CAY    HAY      -89.947   20.000   1
 JZV      CONST_7  CAT    CAS    NAR    OAQ        0.000    0.000   0
 JZV      var_4    CAS    NAR    OAQ    CAP     -174.713   20.000   1
 JZV      var_5    NAR    OAQ    CAP    CAH     -179.460   20.000   1
 JZV      var_6    OAQ    CAP    CAH    CAI      174.608   20.000   2
 JZV      CONST_8  CAP    CAH    CAG    CAA      180.000    0.000   0
 JZV      CONST_9  CAH    CAG    CAA    CAB        0.000    0.000   0
 JZV      CONST_10 CAG    CAA    CAB    CAC        0.000    0.000   0
 JZV      CONST_11 CAP    CAH    CAI    CAJ        0.000    0.000   0
 JZV      CONST_12 CAH    CAI    CAC    CAB        0.000    0.000   0
 JZV      CONST_13 CAI    CAC    CAB    CAA        0.000    0.000   0
 JZV      var_7    CAH    CAI    CAJ    NAD     -114.491   20.000   1
 JZV      var_8    CAI    CAJ    CAK    OAL     -174.700   20.000   1
 JZV      var_9    CAJ    CAK    OAL    CAM      179.999   20.000   1
 JZV      var_10   CAK    OAL    CAM    HAM     -179.972   20.000   1
 JZV      CONST_14 CAI    CAJ    NAD    OAE        0.000    0.000   0
 JZV      var_11   CAJ    NAD    OAE    CAF      179.986   20.000   1
 JZV      var_12   NAD    OAE    CAF    HAF      -60.000   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 JZV      chir_01  CAW    FAO    CAV    FAX       negativ
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
 JZV      plan-1    CAA       0.020
 JZV      plan-1    CAB       0.020
 JZV      plan-1    CAG       0.020
 JZV      plan-1    HAA       0.020
 JZV      plan-1    CAC       0.020
 JZV      plan-1    CAH       0.020
 JZV      plan-1    CAI       0.020
 JZV      plan-1    HAB       0.020
 JZV      plan-1    HAC       0.020
 JZV      plan-1    HAG       0.020
 JZV      plan-1    CAP       0.020
 JZV      plan-1    CAJ       0.020
 JZV      plan-2    NAD       0.020
 JZV      plan-2    OAE       0.020
 JZV      plan-2    CAJ       0.020
 JZV      plan-2    CAI       0.020
 JZV      plan-2    CAK       0.020
 JZV      plan-3    CAK       0.020
 JZV      plan-3    CAJ       0.020
 JZV      plan-3    OAL       0.020
 JZV      plan-3    OAN       0.020
 JZV      plan-4    NAR       0.020
 JZV      plan-4    OAQ       0.020
 JZV      plan-4    CAS       0.020
 JZV      plan-4    CAT       0.020
 JZV      plan-4    CAY       0.020
 JZV      plan-5    CAT       0.020
 JZV      plan-5    CAS       0.020
 JZV      plan-5    CAU       0.020
 JZV      plan-5    CAZ       0.020
 JZV      plan-5    CAV       0.020
 JZV      plan-5    CBA       0.020
 JZV      plan-5    CBB       0.020
 JZV      plan-5    HAU       0.020
 JZV      plan-5    CAW       0.020
 JZV      plan-5    HAZ       0.020
 JZV      plan-5    HBA       0.020
 JZV      plan-5    HBB       0.020
# ------------------------------------------------------
