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
NDZ      NDZ '"(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-' non-polymer        35  20 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NDZ
#
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
 NDZ           OAE    O    OC       -0.500      0.000    0.000    0.000
 NDZ           CAD    C    C         0.000     -0.700    0.800    0.659
 NDZ           OAA    O    OC       -0.500     -0.295    1.966    0.862
 NDZ           CAJ    C    CT        0.000     -2.032    0.359    1.209
 NDZ           CB     C    CH2       0.000     -1.832   -0.355    2.547
 NDZ           HB     H    H         0.000     -2.787   -0.758    2.890
 NDZ           HBA    H    H         0.000     -1.452    0.355    3.285
 NDZ           CA     C    CH1       0.000     -0.827   -1.496    2.371
 NDZ           HA     H    H         0.000      0.104   -1.101    1.941
 NDZ           N      N    NH2       0.000     -1.391   -2.510    1.471
 NDZ           HNA    H    H         0.000     -0.920   -2.743    0.605
 NDZ           HN     H    H         0.000     -2.254   -2.983    1.710
 NDZ           C      C    C         0.000     -0.536   -2.120    3.712
 NDZ           OXT    O    OC       -0.500      0.275   -1.574    4.493
 NDZ           O      O    OC       -0.500     -1.102   -3.186    4.041
 NDZ           OAI    O    O2        0.000     -2.680   -0.525    0.274
 NDZ           CAH    C    CH1       0.000     -4.087   -0.263    0.379
 NDZ           HAH    H    H         0.000     -4.473   -0.721    1.301
 NDZ           CAG    C    CH1       0.000     -4.861   -0.800   -0.807
 NDZ           HAG    H    H         0.000     -5.938   -0.684   -0.618
 NDZ           OAC    O    OH1       0.000     -4.562   -2.188   -0.977
 NDZ           HOAC   H    H         0.000     -5.056   -2.533   -1.734
 NDZ           CAF    C    CH1       0.000     -4.490   -0.040   -2.082
 NDZ           HAF    H    H         0.000     -5.108   -0.394   -2.919
 NDZ           OAB    O    OH1       0.000     -3.109   -0.252   -2.377
 NDZ           HOAB   H    H         0.000     -2.870    0.243   -3.173
 NDZ           CAO    C    CH2       0.000     -4.746    1.454   -1.845
 NDZ           HAO    H    H         0.000     -5.795    1.616   -1.592
 NDZ           HAOA   H    H         0.000     -4.498    2.021   -2.745
 NDZ           OAP    O    O2        0.000     -3.922    1.889   -0.767
 NDZ           CAQ    C    CH1       0.000     -4.180    1.275    0.497
 NDZ           HAQ    H    H         0.000     -5.127    1.609    0.943
 NDZ           CAR    C    CH2       0.000     -2.952    1.582    1.400
 NDZ           HARA   H    H         0.000     -3.228    1.671    2.453
 NDZ           HAR    H    H         0.000     -2.427    2.487    1.086
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
 NDZ      OAE    n/a    CAD    START
 NDZ      CAD    OAE    CAJ    .
 NDZ      OAA    CAD    .      .
 NDZ      CAJ    CAD    OAI    .
 NDZ      CB     CAJ    CA     .
 NDZ      HB     CB     .      .
 NDZ      HBA    CB     .      .
 NDZ      CA     CB     C      .
 NDZ      HA     CA     .      .
 NDZ      N      CA     HN     .
 NDZ      HNA    N      .      .
 NDZ      HN     N      .      .
 NDZ      C      CA     O      .
 NDZ      OXT    C      .      .
 NDZ      O      C      .      .
 NDZ      OAI    CAJ    CAH    .
 NDZ      CAH    OAI    CAG    .
 NDZ      HAH    CAH    .      .
 NDZ      CAG    CAH    CAF    .
 NDZ      HAG    CAG    .      .
 NDZ      OAC    CAG    HOAC   .
 NDZ      HOAC   OAC    .      .
 NDZ      CAF    CAG    CAO    .
 NDZ      HAF    CAF    .      .
 NDZ      OAB    CAF    HOAB   .
 NDZ      HOAB   OAB    .      .
 NDZ      CAO    CAF    OAP    .
 NDZ      HAO    CAO    .      .
 NDZ      HAOA   CAO    .      .
 NDZ      OAP    CAO    CAQ    .
 NDZ      CAQ    OAP    CAR    .
 NDZ      HAQ    CAQ    .      .
 NDZ      CAR    CAQ    HAR    .
 NDZ      HARA   CAR    .      .
 NDZ      HAR    CAR    .      END
 NDZ      CAJ    CAR    .    ADD
 NDZ      CAH    CAQ    .    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
 NDZ      O      C         deloc       1.250    0.020
 NDZ      OXT    C         deloc       1.250    0.020
 NDZ      C      CA        single      1.500    0.020
 NDZ      N      CA        single      1.450    0.020
 NDZ      CA     CB        single      1.524    0.020
 NDZ      CB     CAJ       single      1.524    0.020
 NDZ      CAJ    CAD       single      1.507    0.020
 NDZ      CAJ    CAR       single      1.524    0.020
 NDZ      OAI    CAJ       single      1.426    0.020
 NDZ      OAA    CAD       deloc       1.250    0.020
 NDZ      CAD    OAE       deloc       1.250    0.020
 NDZ      CAR    CAQ       single      1.524    0.020
 NDZ      CAH    OAI       single      1.426    0.020
 NDZ      CAH    CAQ       single      1.524    0.020
 NDZ      CAG    CAH       single      1.524    0.020
 NDZ      CAQ    OAP       single      1.426    0.020
 NDZ      OAP    CAO       single      1.426    0.020
 NDZ      CAO    CAF       single      1.524    0.020
 NDZ      OAB    CAF       single      1.432    0.020
 NDZ      CAF    CAG       single      1.524    0.020
 NDZ      OAC    CAG       single      1.432    0.020
 NDZ      HA     CA        single      1.099    0.020
 NDZ      HN     N         single      1.010    0.020
 NDZ      HNA    N         single      1.010    0.020
 NDZ      HB     CB        single      1.092    0.020
 NDZ      HBA    CB        single      1.092    0.020
 NDZ      HAR    CAR       single      1.092    0.020
 NDZ      HARA   CAR       single      1.092    0.020
 NDZ      HAH    CAH       single      1.099    0.020
 NDZ      HAQ    CAQ       single      1.099    0.020
 NDZ      HAO    CAO       single      1.092    0.020
 NDZ      HAOA   CAO       single      1.092    0.020
 NDZ      HAF    CAF       single      1.099    0.020
 NDZ      HOAB   OAB       single      0.967    0.020
 NDZ      HAG    CAG       single      1.099    0.020
 NDZ      HOAC   OAC       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
 NDZ      OAE    CAD    OAA     123.000    3.000
 NDZ      OAE    CAD    CAJ     118.500    3.000
 NDZ      OAA    CAD    CAJ     118.500    3.000
 NDZ      CAD    CAJ    CB      109.470    3.000
 NDZ      CAD    CAJ    OAI     109.470    3.000
 NDZ      CAD    CAJ    CAR     109.470    3.000
 NDZ      CB     CAJ    OAI     109.470    3.000
 NDZ      CB     CAJ    CAR     111.000    3.000
 NDZ      OAI    CAJ    CAR     109.470    3.000
 NDZ      CAJ    CB     HB      109.470    3.000
 NDZ      CAJ    CB     HBA     109.470    3.000
 NDZ      CAJ    CB     CA      111.000    3.000
 NDZ      HB     CB     HBA     107.900    3.000
 NDZ      HB     CB     CA      109.470    3.000
 NDZ      HBA    CB     CA      109.470    3.000
 NDZ      CB     CA     HA      108.340    3.000
 NDZ      CB     CA     N       109.470    3.000
 NDZ      CB     CA     C       109.470    3.000
 NDZ      HA     CA     N       109.470    3.000
 NDZ      HA     CA     C       108.810    3.000
 NDZ      N      CA     C       109.470    3.000
 NDZ      CA     N      HNA     120.000    3.000
 NDZ      CA     N      HN      120.000    3.000
 NDZ      HNA    N      HN      120.000    3.000
 NDZ      CA     C      OXT     118.500    3.000
 NDZ      CA     C      O       118.500    3.000
 NDZ      OXT    C      O       123.000    3.000
 NDZ      CAJ    OAI    CAH     111.800    3.000
 NDZ      OAI    CAH    HAH     109.470    3.000
 NDZ      OAI    CAH    CAG     109.470    3.000
 NDZ      OAI    CAH    CAQ     109.470    3.000
 NDZ      HAH    CAH    CAG     108.340    3.000
 NDZ      HAH    CAH    CAQ     108.340    3.000
 NDZ      CAG    CAH    CAQ     111.000    3.000
 NDZ      CAH    CAG    HAG     108.340    3.000
 NDZ      CAH    CAG    OAC     109.470    3.000
 NDZ      CAH    CAG    CAF     111.000    3.000
 NDZ      HAG    CAG    OAC     109.470    3.000
 NDZ      HAG    CAG    CAF     108.340    3.000
 NDZ      OAC    CAG    CAF     109.470    3.000
 NDZ      CAG    OAC    HOAC    109.470    3.000
 NDZ      CAG    CAF    HAF     108.340    3.000
 NDZ      CAG    CAF    OAB     109.470    3.000
 NDZ      CAG    CAF    CAO     111.000    3.000
 NDZ      HAF    CAF    OAB     109.470    3.000
 NDZ      HAF    CAF    CAO     108.340    3.000
 NDZ      OAB    CAF    CAO     109.470    3.000
 NDZ      CAF    OAB    HOAB    109.470    3.000
 NDZ      CAF    CAO    HAO     109.470    3.000
 NDZ      CAF    CAO    HAOA    109.470    3.000
 NDZ      CAF    CAO    OAP     109.470    3.000
 NDZ      HAO    CAO    HAOA    107.900    3.000
 NDZ      HAO    CAO    OAP     109.470    3.000
 NDZ      HAOA   CAO    OAP     109.470    3.000
 NDZ      CAO    OAP    CAQ     111.800    3.000
 NDZ      OAP    CAQ    HAQ     109.470    3.000
 NDZ      OAP    CAQ    CAR     109.470    3.000
 NDZ      OAP    CAQ    CAH     109.470    3.000
 NDZ      HAQ    CAQ    CAR     108.340    3.000
 NDZ      HAQ    CAQ    CAH     108.340    3.000
 NDZ      CAR    CAQ    CAH     111.000    3.000
 NDZ      CAQ    CAR    HARA    109.470    3.000
 NDZ      CAQ    CAR    HAR     109.470    3.000
 NDZ      CAQ    CAR    CAJ     111.000    3.000
 NDZ      HARA   CAR    HAR     107.900    3.000
 NDZ      HARA   CAR    CAJ     109.470    3.000
 NDZ      HAR    CAR    CAJ     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
 NDZ      var_1    OAE    CAD    CAJ    OAI      -36.769   20.000   1
 NDZ      var_2    CAD    CAJ    CAR    CAQ      120.000   20.000   1
 NDZ      var_3    CAD    CAJ    CB     CA       -54.302   20.000   1
 NDZ      var_4    CAJ    CB     CA     C        174.951   20.000   3
 NDZ      var_5    CB     CA     N      HN       -60.018   20.000   1
 NDZ      var_6    CB     CA     C      O        100.000   20.000   3
 NDZ      var_7    CAD    CAJ    OAI    CAH     -150.000   20.000   1
 NDZ      var_8    CAJ    OAI    CAH    CAG      150.000   20.000   1
 NDZ      var_9    OAI    CAH    CAQ    OAP       60.000   20.000   3
 NDZ      var_10   OAI    CAH    CAG    CAF      -60.000   20.000   3
 NDZ      var_11   CAH    CAG    OAC    HOAC     179.982   20.000   1
 NDZ      var_12   CAH    CAG    CAF    CAO      -60.000   20.000   3
 NDZ      var_13   CAG    CAF    OAB    HOAB    -178.844   20.000   1
 NDZ      var_14   CAG    CAF    CAO    OAP       60.000   20.000   3
 NDZ      var_15   CAF    CAO    OAP    CAQ      -60.000   20.000   1
 NDZ      var_16   CAO    OAP    CAQ    CAR      150.000   20.000   1
 NDZ      var_17   OAP    CAQ    CAR    CAJ      -90.000   20.000   3
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
 NDZ      chir_01  CA     C      N      CB        negativ
 NDZ      chir_02  CAJ    CB     CAD    CAR       positiv
 NDZ      chir_03  CAH    OAI    CAQ    CAG       negativ
 NDZ      chir_04  CAQ    CAR    CAH    OAP       positiv
 NDZ      chir_05  CAF    CAO    OAB    CAG       negativ
 NDZ      chir_06  CAG    CAH    CAF    OAC       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
 NDZ      plan-1    C         0.020
 NDZ      plan-1    O         0.020
 NDZ      plan-1    OXT       0.020
 NDZ      plan-1    CA        0.020
 NDZ      plan-2    N         0.020
 NDZ      plan-2    CA        0.020
 NDZ      plan-2    HN        0.020
 NDZ      plan-2    HNA       0.020
 NDZ      plan-3    CAD       0.020
 NDZ      plan-3    CAJ       0.020
 NDZ      plan-3    OAA       0.020
 NDZ      plan-3    OAE       0.020
# ------------------------------------------------------
