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
HIZ      HIZ '1-{4-[(1S)-1-amino-2-(benzyloxy)ethy' non-polymer        46  28 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HIZ
#
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
 HIZ           CLAD   CL   CL        0.000      0.000    0.000    0.000
 HIZ           CAY    C    CR6       0.000     -1.504   -0.824   -0.266
 HIZ           CAW    C    CR6       0.000     -1.539   -2.208   -0.303
 HIZ           CAJ    C    CR16      0.000     -2.738   -2.867   -0.516
 HIZ           HAJ    H    H         0.000     -2.763   -3.949   -0.545
 HIZ           FAC    F    F         0.000     -0.401   -2.916   -0.131
 HIZ           CAM    C    CR16      0.000     -2.669   -0.098   -0.441
 HIZ           HAM    H    H         0.000     -2.642    0.984   -0.412
 HIZ           CAX    C    CR6       0.000     -3.871   -0.758   -0.654
 HIZ           CAK    C    CR16      0.000     -3.903   -2.145   -0.691
 HIZ           HAK    H    H         0.000     -4.840   -2.662   -0.857
 HIZ           NAQ    N    NH1       0.000     -5.050   -0.024   -0.832
 HIZ           HNAQ   H    H         0.000     -5.021    0.874   -1.293
 HIZ           CAU    C    C         0.000     -6.224   -0.516   -0.388
 HIZ           OAB    O    O         0.000     -6.245   -1.550    0.252
 HIZ           NAR    N    NH1       0.000     -7.372    0.136   -0.654
 HIZ           HNAR   H    H         0.000     -7.354    0.994   -1.186
 HIZ           CBA    C    CR5       0.000     -8.583   -0.372   -0.195
 HIZ           SAT    S    S2        0.000     -8.761   -1.817    0.700
 HIZ           NAP    N    NRD5      0.000     -9.741    0.176   -0.394
 HIZ           CAZ    C    CR5       0.000    -10.790   -0.444    0.114
 HIZ           CAL    C    CR15      0.000    -10.504   -1.572    0.767
 HIZ           HAL    H    H         0.000    -11.220   -2.224    1.254
 HIZ           CBB    C    CH1       0.000    -12.195    0.075   -0.038
 HIZ           HBB    H    H         0.000    -12.884   -0.556    0.540
 HIZ           NAA    N    NH2       0.000    -12.578    0.046   -1.457
 HIZ           HNAB   H    H         0.000    -13.373   -0.503   -1.761
 HIZ           HNAA   H    H         0.000    -12.049    0.574   -2.141
 HIZ           CAO    C    CH2       0.000    -12.267    1.514    0.478
 HIZ           HAO    H    H         0.000    -11.649    2.157   -0.152
 HIZ           HAOA   H    H         0.000    -11.897    1.550    1.505
 HIZ           OAS    O    O2        0.000    -13.621    1.968    0.441
 HIZ           CAN    C    CH2       0.000    -13.800    3.307    0.906
 HIZ           HAN    H    H         0.000    -13.214    3.987    0.284
 HIZ           HANA   H    H         0.000    -13.462    3.379    1.942
 HIZ           CAV    C    CR6       0.000    -15.258    3.678    0.824
 HIZ           CAH    C    CR16      0.000    -16.093    3.440    1.899
 HIZ           HAH    H    H         0.000    -15.699    2.988    2.801
 HIZ           CAF    C    CR16      0.000    -17.431    3.781    1.824
 HIZ           HAF    H    H         0.000    -18.085    3.594    2.667
 HIZ           CAI    C    CR16      0.000    -15.759    4.260   -0.325
 HIZ           HAI    H    H         0.000    -15.103    4.454   -1.165
 HIZ           CAG    C    CR16      0.000    -17.098    4.596   -0.402
 HIZ           HAG    H    H         0.000    -17.492    5.044   -1.306
 HIZ           CAE    C    CR16      0.000    -17.933    4.360    0.673
 HIZ           HAE    H    H         0.000    -18.981    4.628    0.615
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
 HIZ      CLAD   n/a    CAY    START
 HIZ      CAY    CLAD   CAM    .
 HIZ      CAW    CAY    FAC    .
 HIZ      CAJ    CAW    HAJ    .
 HIZ      HAJ    CAJ    .      .
 HIZ      FAC    CAW    .      .
 HIZ      CAM    CAY    CAX    .
 HIZ      HAM    CAM    .      .
 HIZ      CAX    CAM    NAQ    .
 HIZ      CAK    CAX    HAK    .
 HIZ      HAK    CAK    .      .
 HIZ      NAQ    CAX    CAU    .
 HIZ      HNAQ   NAQ    .      .
 HIZ      CAU    NAQ    NAR    .
 HIZ      OAB    CAU    .      .
 HIZ      NAR    CAU    CBA    .
 HIZ      HNAR   NAR    .      .
 HIZ      CBA    NAR    NAP    .
 HIZ      SAT    CBA    .      .
 HIZ      NAP    CBA    CAZ    .
 HIZ      CAZ    NAP    CBB    .
 HIZ      CAL    CAZ    HAL    .
 HIZ      HAL    CAL    .      .
 HIZ      CBB    CAZ    CAO    .
 HIZ      HBB    CBB    .      .
 HIZ      NAA    CBB    HNAA   .
 HIZ      HNAB   NAA    .      .
 HIZ      HNAA   NAA    .      .
 HIZ      CAO    CBB    OAS    .
 HIZ      HAO    CAO    .      .
 HIZ      HAOA   CAO    .      .
 HIZ      OAS    CAO    CAN    .
 HIZ      CAN    OAS    CAV    .
 HIZ      HAN    CAN    .      .
 HIZ      HANA   CAN    .      .
 HIZ      CAV    CAN    CAI    .
 HIZ      CAH    CAV    CAF    .
 HIZ      HAH    CAH    .      .
 HIZ      CAF    CAH    HAF    .
 HIZ      HAF    CAF    .      .
 HIZ      CAI    CAV    CAG    .
 HIZ      HAI    CAI    .      .
 HIZ      CAG    CAI    CAE    .
 HIZ      HAG    CAG    .      .
 HIZ      CAE    CAG    HAE    .
 HIZ      HAE    CAE    .      END
 HIZ      CAE    CAF    .    ADD
 HIZ      CAJ    CAK    .    ADD
 HIZ      CAL    SAT    .    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
 HIZ      NAA    CBB       single      1.450    0.020
 HIZ      HNAA   NAA       single      1.010    0.020
 HIZ      HNAB   NAA       single      1.010    0.020
 HIZ      OAB    CAU       double      1.220    0.020
 HIZ      FAC    CAW       single      1.345    0.020
 HIZ      CAY    CLAD      single      1.795    0.020
 HIZ      CAE    CAF       double      1.390    0.020
 HIZ      CAE    CAG       single      1.390    0.020
 HIZ      HAE    CAE       single      1.083    0.020
 HIZ      CAF    CAH       single      1.390    0.020
 HIZ      HAF    CAF       single      1.083    0.020
 HIZ      CAG    CAI       double      1.390    0.020
 HIZ      HAG    CAG       single      1.083    0.020
 HIZ      CAH    CAV       double      1.390    0.020
 HIZ      HAH    CAH       single      1.083    0.020
 HIZ      CAI    CAV       single      1.390    0.020
 HIZ      HAI    CAI       single      1.083    0.020
 HIZ      CAJ    CAK       double      1.390    0.020
 HIZ      CAJ    CAW       single      1.390    0.020
 HIZ      HAJ    CAJ       single      1.083    0.020
 HIZ      CAK    CAX       single      1.390    0.020
 HIZ      HAK    CAK       single      1.083    0.020
 HIZ      CAL    CAZ       double      1.387    0.020
 HIZ      CAL    SAT       single      1.745    0.020
 HIZ      HAL    CAL       single      1.083    0.020
 HIZ      CAX    CAM       double      1.390    0.020
 HIZ      CAM    CAY       single      1.390    0.020
 HIZ      HAM    CAM       single      1.083    0.020
 HIZ      CAN    OAS       single      1.426    0.020
 HIZ      CAV    CAN       single      1.511    0.020
 HIZ      HAN    CAN       single      1.092    0.020
 HIZ      HANA   CAN       single      1.092    0.020
 HIZ      CAO    CBB       single      1.524    0.020
 HIZ      OAS    CAO       single      1.426    0.020
 HIZ      HAO    CAO       single      1.092    0.020
 HIZ      HAOA   CAO       single      1.092    0.020
 HIZ      NAP    CBA       double      1.350    0.020
 HIZ      CAZ    NAP       single      1.350    0.020
 HIZ      NAQ    CAX       single      1.350    0.020
 HIZ      CAU    NAQ       single      1.330    0.020
 HIZ      HNAQ   NAQ       single      1.010    0.020
 HIZ      NAR    CAU       single      1.330    0.020
 HIZ      CBA    NAR       single      1.350    0.020
 HIZ      HNAR   NAR       single      1.010    0.020
 HIZ      SAT    CBA       single      1.745    0.020
 HIZ      CAW    CAY       double      1.487    0.020
 HIZ      CBB    CAZ       single      1.480    0.020
 HIZ      HBB    CBB       single      1.099    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
 HIZ      CLAD   CAY    CAW     120.000    3.000
 HIZ      CLAD   CAY    CAM     120.000    3.000
 HIZ      CAW    CAY    CAM     120.000    3.000
 HIZ      CAY    CAW    CAJ     120.000    3.000
 HIZ      CAY    CAW    FAC     120.000    3.000
 HIZ      CAJ    CAW    FAC     120.000    3.000
 HIZ      CAW    CAJ    HAJ     120.000    3.000
 HIZ      CAW    CAJ    CAK     120.000    3.000
 HIZ      HAJ    CAJ    CAK     120.000    3.000
 HIZ      CAY    CAM    HAM     120.000    3.000
 HIZ      CAY    CAM    CAX     120.000    3.000
 HIZ      HAM    CAM    CAX     120.000    3.000
 HIZ      CAM    CAX    CAK     120.000    3.000
 HIZ      CAM    CAX    NAQ     120.000    3.000
 HIZ      CAK    CAX    NAQ     120.000    3.000
 HIZ      CAX    CAK    HAK     120.000    3.000
 HIZ      CAX    CAK    CAJ     120.000    3.000
 HIZ      HAK    CAK    CAJ     120.000    3.000
 HIZ      CAX    NAQ    HNAQ    120.000    3.000
 HIZ      CAX    NAQ    CAU     120.000    3.000
 HIZ      HNAQ   NAQ    CAU     120.000    3.000
 HIZ      NAQ    CAU    OAB     123.000    3.000
 HIZ      NAQ    CAU    NAR     120.000    3.000
 HIZ      OAB    CAU    NAR     123.000    3.000
 HIZ      CAU    NAR    HNAR    120.000    3.000
 HIZ      CAU    NAR    CBA     120.000    3.000
 HIZ      HNAR   NAR    CBA     120.000    3.000
 HIZ      NAR    CBA    SAT     108.000    3.000
 HIZ      NAR    CBA    NAP     108.000    3.000
 HIZ      SAT    CBA    NAP     108.000    3.000
 HIZ      CBA    SAT    CAL      90.339    3.000
 HIZ      CBA    NAP    CAZ     108.000    3.000
 HIZ      NAP    CAZ    CAL     108.000    3.000
 HIZ      NAP    CAZ    CBB     126.000    3.000
 HIZ      CAL    CAZ    CBB     108.000    3.000
 HIZ      CAZ    CAL    HAL     126.000    3.000
 HIZ      CAZ    CAL    SAT     108.000    3.000
 HIZ      HAL    CAL    SAT     108.000    3.000
 HIZ      CAZ    CBB    HBB     109.470    3.000
 HIZ      CAZ    CBB    NAA     109.470    3.000
 HIZ      CAZ    CBB    CAO     109.470    3.000
 HIZ      HBB    CBB    NAA     109.470    3.000
 HIZ      HBB    CBB    CAO     108.340    3.000
 HIZ      NAA    CBB    CAO     109.470    3.000
 HIZ      CBB    NAA    HNAB    120.000    3.000
 HIZ      CBB    NAA    HNAA    120.000    3.000
 HIZ      HNAB   NAA    HNAA    120.000    3.000
 HIZ      CBB    CAO    HAO     109.470    3.000
 HIZ      CBB    CAO    HAOA    109.470    3.000
 HIZ      CBB    CAO    OAS     109.470    3.000
 HIZ      HAO    CAO    HAOA    107.900    3.000
 HIZ      HAO    CAO    OAS     109.470    3.000
 HIZ      HAOA   CAO    OAS     109.470    3.000
 HIZ      CAO    OAS    CAN     111.800    3.000
 HIZ      OAS    CAN    HAN     109.470    3.000
 HIZ      OAS    CAN    HANA    109.470    3.000
 HIZ      OAS    CAN    CAV     109.470    3.000
 HIZ      HAN    CAN    HANA    107.900    3.000
 HIZ      HAN    CAN    CAV     109.470    3.000
 HIZ      HANA   CAN    CAV     109.470    3.000
 HIZ      CAN    CAV    CAH     120.000    3.000
 HIZ      CAN    CAV    CAI     120.000    3.000
 HIZ      CAH    CAV    CAI     120.000    3.000
 HIZ      CAV    CAH    HAH     120.000    3.000
 HIZ      CAV    CAH    CAF     120.000    3.000
 HIZ      HAH    CAH    CAF     120.000    3.000
 HIZ      CAH    CAF    HAF     120.000    3.000
 HIZ      CAH    CAF    CAE     120.000    3.000
 HIZ      HAF    CAF    CAE     120.000    3.000
 HIZ      CAV    CAI    HAI     120.000    3.000
 HIZ      CAV    CAI    CAG     120.000    3.000
 HIZ      HAI    CAI    CAG     120.000    3.000
 HIZ      CAI    CAG    HAG     120.000    3.000
 HIZ      CAI    CAG    CAE     120.000    3.000
 HIZ      HAG    CAG    CAE     120.000    3.000
 HIZ      CAG    CAE    HAE     120.000    3.000
 HIZ      CAG    CAE    CAF     120.000    3.000
 HIZ      HAE    CAE    CAF     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
 HIZ      CONST_1  CLAD   CAY    CAW    FAC        0.000    0.000   0
 HIZ      CONST_2  CAY    CAW    CAJ    CAK        0.000    0.000   0
 HIZ      CONST_3  CAW    CAJ    CAK    CAX        0.000    0.000   0
 HIZ      CONST_4  CLAD   CAY    CAM    CAX      180.000    0.000   0
 HIZ      CONST_5  CAY    CAM    CAX    NAQ      180.000    0.000   0
 HIZ      CONST_6  CAM    CAX    CAK    CAJ        0.000    0.000   0
 HIZ      var_1    CAM    CAX    NAQ    CAU     -146.799   20.000   1
 HIZ      CONST_7  CAX    NAQ    CAU    NAR      180.000    0.000   0
 HIZ      CONST_8  NAQ    CAU    NAR    CBA      180.000    0.000   0
 HIZ      var_2    CAU    NAR    CBA    NAP      179.938   20.000   1
 HIZ      CONST_9  NAR    CBA    SAT    CAL      180.000    0.000   0
 HIZ      CONST_10 NAR    CBA    NAP    CAZ      180.000    0.000   0
 HIZ      CONST_11 CBA    NAP    CAZ    CBB      180.000    0.000   0
 HIZ      CONST_12 NAP    CAZ    CAL    SAT        0.000    0.000   0
 HIZ      CONST_13 CAZ    CAL    SAT    CBA        0.000    0.000   0
 HIZ      var_3    NAP    CAZ    CBB    CAO      -54.977   20.000   1
 HIZ      var_4    CAZ    CBB    NAA    HNAA     -59.936   20.000   1
 HIZ      var_5    CAZ    CBB    CAO    OAS     -175.054   20.000   3
 HIZ      var_6    CBB    CAO    OAS    CAN      179.971   20.000   1
 HIZ      var_7    CAO    OAS    CAN    CAV     -179.970   20.000   1
 HIZ      var_8    OAS    CAN    CAV    CAI      -90.224   20.000   2
 HIZ      CONST_14 CAN    CAV    CAH    CAF      180.000    0.000   0
 HIZ      CONST_15 CAV    CAH    CAF    CAE        0.000    0.000   0
 HIZ      CONST_16 CAN    CAV    CAI    CAG      180.000    0.000   0
 HIZ      CONST_17 CAV    CAI    CAG    CAE        0.000    0.000   0
 HIZ      CONST_18 CAI    CAG    CAE    CAF        0.000    0.000   0
 HIZ      CONST_19 CAG    CAE    CAF    CAH        0.000    0.000   0
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
 HIZ      chir_01  CBB    NAA    CAO    CAZ       positiv
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
 HIZ      plan-1    NAA       0.020
 HIZ      plan-1    CBB       0.020
 HIZ      plan-1    HNAA      0.020
 HIZ      plan-1    HNAB      0.020
 HIZ      plan-2    CAE       0.020
 HIZ      plan-2    CAF       0.020
 HIZ      plan-2    CAG       0.020
 HIZ      plan-2    HAE       0.020
 HIZ      plan-2    CAH       0.020
 HIZ      plan-2    CAI       0.020
 HIZ      plan-2    CAV       0.020
 HIZ      plan-2    HAF       0.020
 HIZ      plan-2    HAG       0.020
 HIZ      plan-2    HAH       0.020
 HIZ      plan-2    HAI       0.020
 HIZ      plan-2    CAN       0.020
 HIZ      plan-3    CAJ       0.020
 HIZ      plan-3    CAK       0.020
 HIZ      plan-3    CAW       0.020
 HIZ      plan-3    HAJ       0.020
 HIZ      plan-3    CAM       0.020
 HIZ      plan-3    CAX       0.020
 HIZ      plan-3    CAY       0.020
 HIZ      plan-3    HAK       0.020
 HIZ      plan-3    HAM       0.020
 HIZ      plan-3    FAC       0.020
 HIZ      plan-3    NAQ       0.020
 HIZ      plan-3    CLAD      0.020
 HIZ      plan-3    HNAQ      0.020
 HIZ      plan-4    CAL       0.020
 HIZ      plan-4    SAT       0.020
 HIZ      plan-4    CAZ       0.020
 HIZ      plan-4    HAL       0.020
 HIZ      plan-4    NAP       0.020
 HIZ      plan-4    CBA       0.020
 HIZ      plan-4    CBB       0.020
 HIZ      plan-4    NAR       0.020
 HIZ      plan-4    HNAR      0.020
 HIZ      plan-5    NAQ       0.020
 HIZ      plan-5    CAU       0.020
 HIZ      plan-5    CAX       0.020
 HIZ      plan-5    HNAQ      0.020
 HIZ      plan-6    NAR       0.020
 HIZ      plan-6    CAU       0.020
 HIZ      plan-6    CBA       0.020
 HIZ      plan-6    HNAR      0.020
 HIZ      plan-7    CAU       0.020
 HIZ      plan-7    OAB       0.020
 HIZ      plan-7    NAQ       0.020
 HIZ      plan-7    NAR       0.020
 HIZ      plan-7    HNAQ      0.020
 HIZ      plan-7    HNAR      0.020
# ------------------------------------------------------
