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
ZXA      ZXA 'N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydrox' non-polymer        33  15 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZXA
#
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
 ZXA           OAC    O    O         0.000      0.000    0.000    0.000
 ZXA           CAJ    C    C         0.000     -0.555   -0.884   -0.616
 ZXA           CAA    C    CH3       0.000      0.244   -2.033   -1.172
 ZXA           HAAB   H    H         0.000     -0.223   -2.397   -2.051
 ZXA           HAAA   H    H         0.000      1.224   -1.704   -1.406
 ZXA           HAA    H    H         0.000      0.296   -2.810   -0.454
 ZXA           NAH    N    NH1       0.000     -1.889   -0.838   -0.803
 ZXA           HNAH   H    H         0.000     -2.353   -1.574   -1.317
 ZXA           CAG    C    CH2       0.000     -2.667    0.279   -0.262
 ZXA           HAG    H    H         0.000     -2.307    1.216   -0.693
 ZXA           HAGA   H    H         0.000     -2.551    0.311    0.823
 ZXA           CAL    C    CH1       0.000     -4.145    0.090   -0.614
 ZXA           HAL    H    H         0.000     -4.273    0.146   -1.704
 ZXA           CAN    C    CH1       0.000     -4.973    1.189    0.055
 ZXA           HAN    H    H         0.000     -4.835    1.142    1.144
 ZXA           OAE    O    OH1       0.000     -4.547    2.465   -0.425
 ZXA           HOAE   H    H         0.000     -5.071    3.159   -0.002
 ZXA           CAO    C    CH1       0.000     -6.453    0.984   -0.282
 ZXA           HAO    H    H         0.000     -6.598    1.071   -1.368
 ZXA           OAF    O    OH1       0.000     -7.237    1.974    0.386
 ZXA           HOAF   H    H         0.000     -8.171    1.840    0.176
 ZXA           CAM    C    CH1       0.000     -6.884   -0.410    0.182
 ZXA           HAM    H    H         0.000     -7.934   -0.581   -0.095
 ZXA           OAD    O    OH1       0.000     -6.744   -0.505    1.601
 ZXA           HOAD   H    H         0.000     -7.303    0.161    2.024
 ZXA           CAK    C    CH1       0.000     -6.000   -1.464   -0.490
 ZXA           HAK    H    H         0.000     -6.119   -1.399   -1.580
 ZXA           CAB    C    CH3       0.000     -6.416   -2.857   -0.013
 ZXA           HABB   H    H         0.000     -7.430   -3.030   -0.268
 ZXA           HABA   H    H         0.000     -5.806   -3.587   -0.479
 ZXA           HAB    H    H         0.000     -6.302   -2.920    1.038
 ZXA           NAI    N    NH1       0.000     -4.596   -1.223   -0.136
 ZXA           HNAI   H    H         0.000     -4.015   -1.876    0.371
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
 ZXA      OAC    n/a    CAJ    START
 ZXA      CAJ    OAC    NAH    .
 ZXA      CAA    CAJ    HAA    .
 ZXA      HAAB   CAA    .      .
 ZXA      HAAA   CAA    .      .
 ZXA      HAA    CAA    .      .
 ZXA      NAH    CAJ    CAG    .
 ZXA      HNAH   NAH    .      .
 ZXA      CAG    NAH    CAL    .
 ZXA      HAG    CAG    .      .
 ZXA      HAGA   CAG    .      .
 ZXA      CAL    CAG    CAN    .
 ZXA      HAL    CAL    .      .
 ZXA      CAN    CAL    CAO    .
 ZXA      HAN    CAN    .      .
 ZXA      OAE    CAN    HOAE   .
 ZXA      HOAE   OAE    .      .
 ZXA      CAO    CAN    CAM    .
 ZXA      HAO    CAO    .      .
 ZXA      OAF    CAO    HOAF   .
 ZXA      HOAF   OAF    .      .
 ZXA      CAM    CAO    CAK    .
 ZXA      HAM    CAM    .      .
 ZXA      OAD    CAM    HOAD   .
 ZXA      HOAD   OAD    .      .
 ZXA      CAK    CAM    NAI    .
 ZXA      HAK    CAK    .      .
 ZXA      CAB    CAK    HAB    .
 ZXA      HABB   CAB    .      .
 ZXA      HABA   CAB    .      .
 ZXA      HAB    CAB    .      .
 ZXA      NAI    CAK    HNAI   .
 ZXA      HNAI   NAI    .      END
 ZXA      CAL    NAI    .    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
 ZXA      CAA    CAJ       single      1.500    0.020
 ZXA      CAJ    OAC       double      1.220    0.020
 ZXA      NAH    CAJ       single      1.330    0.020
 ZXA      CAG    NAH       single      1.450    0.020
 ZXA      CAL    CAG       single      1.524    0.020
 ZXA      CAL    NAI       single      1.450    0.020
 ZXA      CAN    CAL       single      1.524    0.020
 ZXA      NAI    CAK       single      1.450    0.020
 ZXA      CAB    CAK       single      1.524    0.020
 ZXA      CAK    CAM       single      1.524    0.020
 ZXA      OAD    CAM       single      1.432    0.020
 ZXA      CAM    CAO       single      1.524    0.020
 ZXA      OAF    CAO       single      1.432    0.020
 ZXA      CAO    CAN       single      1.524    0.020
 ZXA      OAE    CAN       single      1.432    0.020
 ZXA      HAA    CAA       single      1.059    0.020
 ZXA      HAAA   CAA       single      1.059    0.020
 ZXA      HAAB   CAA       single      1.059    0.020
 ZXA      HNAH   NAH       single      1.010    0.020
 ZXA      HAG    CAG       single      1.092    0.020
 ZXA      HAGA   CAG       single      1.092    0.020
 ZXA      HAL    CAL       single      1.099    0.020
 ZXA      HNAI   NAI       single      1.010    0.020
 ZXA      HAK    CAK       single      1.099    0.020
 ZXA      HAB    CAB       single      1.059    0.020
 ZXA      HABA   CAB       single      1.059    0.020
 ZXA      HABB   CAB       single      1.059    0.020
 ZXA      HAM    CAM       single      1.099    0.020
 ZXA      HOAD   OAD       single      0.967    0.020
 ZXA      HAO    CAO       single      1.099    0.020
 ZXA      HOAF   OAF       single      0.967    0.020
 ZXA      HAN    CAN       single      1.099    0.020
 ZXA      HOAE   OAE       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
 ZXA      OAC    CAJ    CAA     123.000    3.000
 ZXA      OAC    CAJ    NAH     123.000    3.000
 ZXA      CAA    CAJ    NAH     116.500    3.000
 ZXA      CAJ    CAA    HAAB    109.470    3.000
 ZXA      CAJ    CAA    HAAA    109.470    3.000
 ZXA      CAJ    CAA    HAA     109.470    3.000
 ZXA      HAAB   CAA    HAAA    109.470    3.000
 ZXA      HAAB   CAA    HAA     109.470    3.000
 ZXA      HAAA   CAA    HAA     109.470    3.000
 ZXA      CAJ    NAH    HNAH    120.000    3.000
 ZXA      CAJ    NAH    CAG     121.500    3.000
 ZXA      HNAH   NAH    CAG     118.500    3.000
 ZXA      NAH    CAG    HAG     109.470    3.000
 ZXA      NAH    CAG    HAGA    109.470    3.000
 ZXA      NAH    CAG    CAL     110.000    3.000
 ZXA      HAG    CAG    HAGA    107.900    3.000
 ZXA      HAG    CAG    CAL     109.470    3.000
 ZXA      HAGA   CAG    CAL     109.470    3.000
 ZXA      CAG    CAL    HAL     108.340    3.000
 ZXA      CAG    CAL    CAN     111.000    3.000
 ZXA      CAG    CAL    NAI     110.000    3.000
 ZXA      HAL    CAL    CAN     108.340    3.000
 ZXA      HAL    CAL    NAI     108.550    3.000
 ZXA      CAN    CAL    NAI     110.000    3.000
 ZXA      CAL    CAN    HAN     108.340    3.000
 ZXA      CAL    CAN    OAE     109.470    3.000
 ZXA      CAL    CAN    CAO     111.000    3.000
 ZXA      HAN    CAN    OAE     109.470    3.000
 ZXA      HAN    CAN    CAO     108.340    3.000
 ZXA      OAE    CAN    CAO     109.470    3.000
 ZXA      CAN    OAE    HOAE    109.470    3.000
 ZXA      CAN    CAO    HAO     108.340    3.000
 ZXA      CAN    CAO    OAF     109.470    3.000
 ZXA      CAN    CAO    CAM     111.000    3.000
 ZXA      HAO    CAO    OAF     109.470    3.000
 ZXA      HAO    CAO    CAM     108.340    3.000
 ZXA      OAF    CAO    CAM     109.470    3.000
 ZXA      CAO    OAF    HOAF    109.470    3.000
 ZXA      CAO    CAM    HAM     108.340    3.000
 ZXA      CAO    CAM    OAD     109.470    3.000
 ZXA      CAO    CAM    CAK     111.000    3.000
 ZXA      HAM    CAM    OAD     109.470    3.000
 ZXA      HAM    CAM    CAK     108.340    3.000
 ZXA      OAD    CAM    CAK     109.470    3.000
 ZXA      CAM    OAD    HOAD    109.470    3.000
 ZXA      CAM    CAK    HAK     108.340    3.000
 ZXA      CAM    CAK    CAB     111.000    3.000
 ZXA      CAM    CAK    NAI     110.000    3.000
 ZXA      HAK    CAK    CAB     108.340    3.000
 ZXA      HAK    CAK    NAI     108.550    3.000
 ZXA      CAB    CAK    NAI     110.000    3.000
 ZXA      CAK    CAB    HABB    109.470    3.000
 ZXA      CAK    CAB    HABA    109.470    3.000
 ZXA      CAK    CAB    HAB     109.470    3.000
 ZXA      HABB   CAB    HABA    109.470    3.000
 ZXA      HABB   CAB    HAB     109.470    3.000
 ZXA      HABA   CAB    HAB     109.470    3.000
 ZXA      CAK    NAI    HNAI    118.500    3.000
 ZXA      CAK    NAI    CAL     120.000    3.000
 ZXA      HNAI   NAI    CAL     118.500    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
 ZXA      var_1    OAC    CAJ    CAA    HAA       89.975   20.000   1
 ZXA      CONST_1  OAC    CAJ    NAH    CAG        0.000    0.000   0
 ZXA      var_2    CAJ    NAH    CAG    CAL      179.978   20.000   3
 ZXA      var_3    NAH    CAG    CAL    CAN      175.051   20.000   3
 ZXA      var_4    CAG    CAL    NAI    CAK      180.000   20.000   3
 ZXA      var_5    CAG    CAL    CAN    CAO      180.000   20.000   3
 ZXA      var_6    CAL    CAN    OAE    HOAE     179.992   20.000   1
 ZXA      var_7    CAL    CAN    CAO    CAM       60.000   20.000   3
 ZXA      var_8    CAN    CAO    OAF    HOAF    -179.656   20.000   1
 ZXA      var_9    CAN    CAO    CAM    CAK      -60.000   20.000   3
 ZXA      var_10   CAO    CAM    OAD    HOAD      60.158   20.000   1
 ZXA      var_11   CAO    CAM    CAK    NAI       60.000   20.000   3
 ZXA      var_12   CAM    CAK    CAB    HAB      -60.076   20.000   3
 ZXA      var_13   CAM    CAK    NAI    CAL      -60.000   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
 ZXA      chir_01  CAL    CAG    NAI    CAN       negativ
 ZXA      chir_02  CAK    NAI    CAB    CAM       negativ
 ZXA      chir_03  CAM    CAK    OAD    CAO       negativ
 ZXA      chir_04  CAO    CAM    OAF    CAN       negativ
 ZXA      chir_05  CAN    CAL    CAO    OAE       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
 ZXA      plan-1    CAJ       0.020
 ZXA      plan-1    CAA       0.020
 ZXA      plan-1    OAC       0.020
 ZXA      plan-1    NAH       0.020
 ZXA      plan-1    HNAH      0.020
 ZXA      plan-2    NAH       0.020
 ZXA      plan-2    CAJ       0.020
 ZXA      plan-2    CAG       0.020
 ZXA      plan-2    HNAH      0.020
 ZXA      plan-3    NAI       0.020
 ZXA      plan-3    CAL       0.020
 ZXA      plan-3    CAK       0.020
 ZXA      plan-3    HNAI      0.020
# ------------------------------------------------------
