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
GSZ      GSZ 'N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HY' non-polymer        55  27 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GSZ
#
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
 GSZ           OAM    O    O         0.000      0.000    0.000    0.000
 GSZ           CAL    C    C         0.000      0.176    0.211    1.197
 GSZ           CAN    C    CH1       0.000      1.553    0.139    1.857
 GSZ           HAN    H    H         0.000      1.565    0.833    2.708
 GSZ           CBA    C    CH3       0.000      2.651    0.554    0.881
 GSZ           HBA3   H    H         0.000      3.586    0.547    1.378
 GSZ           HBA2   H    H         0.000      2.678   -0.125    0.069
 GSZ           HBA1   H    H         0.000      2.452    1.529    0.519
 GSZ           CAZ    C    CH3       0.000      1.811   -1.271    2.382
 GSZ           HAZ3   H    H         0.000      1.077   -1.520    3.104
 GSZ           HAZ2   H    H         0.000      1.765   -1.962    1.580
 GSZ           HAZ1   H    H         0.000      2.772   -1.312    2.827
 GSZ           NAK    N    NH1       0.000     -0.832    0.533    2.099
 GSZ           HAK    H    H         0.000     -0.584    0.687    3.066
 GSZ           CAC    C    CH1       0.000     -2.215    0.655    1.715
 GSZ           HAC    H    H         0.000     -2.414    0.005    0.852
 GSZ           CAD    C    CR5       0.000     -2.991    0.173    2.886
 GSZ           NAE    N    NR5       1.000     -3.753    0.965    3.739
 GSZ           CAF    C    CH1       0.000     -3.995    2.383    3.538
 GSZ           HAF    H    H         0.000     -3.912    2.887    4.511
 GSZ           CAI    C    CH2       0.000     -5.417    2.590    3.011
 GSZ           HAI1   H    H         0.000     -6.139    2.155    3.706
 GSZ           HAI2   H    H         0.000     -5.524    2.116    2.033
 GSZ           OAJ    O    OH1       0.000     -5.652    3.980    2.892
 GSZ           HAJ    H    H         0.000     -5.204    4.442    3.612
 GSZ           CAA    C    CH1       0.000     -2.924    2.973    2.594
 GSZ           HAA    H    H         0.000     -3.275    3.952    2.240
 GSZ           OAH    O    OH1       0.000     -1.731    3.170    3.359
 GSZ           HAH    H    H         0.000     -1.745    2.591    4.133
 GSZ           CAB    C    CH1       0.000     -2.596    2.100    1.364
 GSZ           HAB    H    H         0.000     -1.750    2.558    0.834
 GSZ           OAG    O    OH1       0.000     -3.709    2.061    0.473
 GSZ           HAG    H    H         0.000     -3.887    2.952    0.143
 GSZ           NAO    N    NR15      0.000     -3.079   -1.114    3.380
 GSZ           HAO    H    H         0.000     -2.622   -1.950    2.963
 GSZ           CAP    C    CR5       0.000     -3.874   -1.121    4.520
 GSZ           CAQ    C    CR15      0.000     -4.283    0.147    4.734
 GSZ           HAQ    H    H         0.000     -4.918    0.476    5.547
 GSZ           CAR    C    CH2       0.000     -4.165   -2.349    5.291
 GSZ           HAR1   H    H         0.000     -4.633   -3.058    4.605
 GSZ           HAR2   H    H         0.000     -4.876   -2.078    6.074
 GSZ           CAS    C    CH2       0.000     -2.921   -2.993    5.926
 GSZ           HAS1   H    H         0.000     -2.271   -3.323    5.113
 GSZ           HAS2   H    H         0.000     -3.256   -3.861    6.497
 GSZ           CAT    C    CR6       0.000     -2.160   -2.055    6.831
 GSZ           CAY    C    CR16      0.000     -2.486   -1.998    8.177
 GSZ           HAY    H    H         0.000     -3.279   -2.620    8.575
 GSZ           CAX    C    CR16      0.000     -1.783   -1.131    9.014
 GSZ           HAX    H    H         0.000     -2.029   -1.078   10.068
 GSZ           CAW    C    CR16      0.000     -0.764   -0.333    8.495
 GSZ           HAW    H    H         0.000     -0.218    0.340    9.144
 GSZ           CAV    C    CR16      0.000     -0.447   -0.402    7.137
 GSZ           HAV    H    H         0.000      0.345    0.217    6.734
 GSZ           CAU    C    CR16      0.000     -1.150   -1.269    6.301
 GSZ           HAU    H    H         0.000     -0.909   -1.327    5.247
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
 GSZ      OAM    n/a    CAL    START
 GSZ      CAL    OAM    NAK    .
 GSZ      CAN    CAL    CAZ    .
 GSZ      HAN    CAN    .      .
 GSZ      CBA    CAN    HBA1   .
 GSZ      HBA3   CBA    .      .
 GSZ      HBA2   CBA    .      .
 GSZ      HBA1   CBA    .      .
 GSZ      CAZ    CAN    HAZ1   .
 GSZ      HAZ3   CAZ    .      .
 GSZ      HAZ2   CAZ    .      .
 GSZ      HAZ1   CAZ    .      .
 GSZ      NAK    CAL    CAC    .
 GSZ      HAK    NAK    .      .
 GSZ      CAC    NAK    CAD    .
 GSZ      HAC    CAC    .      .
 GSZ      CAD    CAC    NAO    .
 GSZ      NAE    CAD    CAF    .
 GSZ      CAF    NAE    CAA    .
 GSZ      HAF    CAF    .      .
 GSZ      CAI    CAF    OAJ    .
 GSZ      HAI1   CAI    .      .
 GSZ      HAI2   CAI    .      .
 GSZ      OAJ    CAI    HAJ    .
 GSZ      HAJ    OAJ    .      .
 GSZ      CAA    CAF    CAB    .
 GSZ      HAA    CAA    .      .
 GSZ      OAH    CAA    HAH    .
 GSZ      HAH    OAH    .      .
 GSZ      CAB    CAA    OAG    .
 GSZ      HAB    CAB    .      .
 GSZ      OAG    CAB    HAG    .
 GSZ      HAG    OAG    .      .
 GSZ      NAO    CAD    CAP    .
 GSZ      HAO    NAO    .      .
 GSZ      CAP    NAO    CAR    .
 GSZ      CAQ    CAP    HAQ    .
 GSZ      HAQ    CAQ    .      .
 GSZ      CAR    CAP    CAS    .
 GSZ      HAR1   CAR    .      .
 GSZ      HAR2   CAR    .      .
 GSZ      CAS    CAR    CAT    .
 GSZ      HAS1   CAS    .      .
 GSZ      HAS2   CAS    .      .
 GSZ      CAT    CAS    CAY    .
 GSZ      CAY    CAT    CAX    .
 GSZ      HAY    CAY    .      .
 GSZ      CAX    CAY    CAW    .
 GSZ      HAX    CAX    .      .
 GSZ      CAW    CAX    CAV    .
 GSZ      HAW    CAW    .      .
 GSZ      CAV    CAW    CAU    .
 GSZ      HAV    CAV    .      .
 GSZ      CAU    CAV    HAU    .
 GSZ      HAU    CAU    .      END
 GSZ      CAC    CAB    .    ADD
 GSZ      NAE    CAQ    .    ADD
 GSZ      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
 GSZ      CAZ    CAN       single      1.524    0.020
 GSZ      HAZ1   CAZ       single      1.059    0.020
 GSZ      HAZ2   CAZ       single      1.059    0.020
 GSZ      HAZ3   CAZ       single      1.059    0.020
 GSZ      CBA    CAN       single      1.524    0.020
 GSZ      CAN    CAL       single      1.500    0.020
 GSZ      HAN    CAN       single      1.099    0.020
 GSZ      HBA1   CBA       single      1.059    0.020
 GSZ      HBA2   CBA       single      1.059    0.020
 GSZ      HBA3   CBA       single      1.059    0.020
 GSZ      CAL    OAM       double      1.220    0.020
 GSZ      NAK    CAL       single      1.330    0.020
 GSZ      CAC    NAK       single      1.450    0.020
 GSZ      HAK    NAK       single      1.010    0.020
 GSZ      CAC    CAB       single      1.524    0.020
 GSZ      CAD    CAC       single      1.480    0.020
 GSZ      HAC    CAC       single      1.099    0.020
 GSZ      OAG    CAB       single      1.432    0.020
 GSZ      CAB    CAA       single      1.524    0.020
 GSZ      HAB    CAB       single      1.099    0.020
 GSZ      HAG    OAG       single      0.967    0.020
 GSZ      OAH    CAA       single      1.432    0.020
 GSZ      CAA    CAF       single      1.524    0.020
 GSZ      HAA    CAA       single      1.099    0.020
 GSZ      HAH    OAH       single      0.967    0.020
 GSZ      CAI    CAF       single      1.524    0.020
 GSZ      CAF    NAE       single      1.485    0.020
 GSZ      HAF    CAF       single      1.099    0.020
 GSZ      OAJ    CAI       single      1.432    0.020
 GSZ      HAI1   CAI       single      1.092    0.020
 GSZ      HAI2   CAI       single      1.092    0.020
 GSZ      HAJ    OAJ       single      0.967    0.020
 GSZ      NAE    CAQ       single      1.337    0.020
 GSZ      NAE    CAD       double      1.337    0.020
 GSZ      CAQ    CAP       double      1.387    0.020
 GSZ      HAQ    CAQ       single      1.083    0.020
 GSZ      NAO    CAD       single      1.340    0.020
 GSZ      CAP    NAO       single      1.340    0.020
 GSZ      HAO    NAO       single      1.040    0.020
 GSZ      CAR    CAP       single      1.510    0.020
 GSZ      CAS    CAR       single      1.524    0.020
 GSZ      HAR1   CAR       single      1.092    0.020
 GSZ      HAR2   CAR       single      1.092    0.020
 GSZ      CAT    CAS       single      1.511    0.020
 GSZ      HAS1   CAS       single      1.092    0.020
 GSZ      HAS2   CAS       single      1.092    0.020
 GSZ      CAT    CAU       single      1.390    0.020
 GSZ      CAY    CAT       double      1.390    0.020
 GSZ      CAU    CAV       double      1.390    0.020
 GSZ      HAU    CAU       single      1.083    0.020
 GSZ      CAV    CAW       single      1.390    0.020
 GSZ      HAV    CAV       single      1.083    0.020
 GSZ      CAW    CAX       double      1.390    0.020
 GSZ      HAW    CAW       single      1.083    0.020
 GSZ      CAX    CAY       single      1.390    0.020
 GSZ      HAX    CAX       single      1.083    0.020
 GSZ      HAY    CAY       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
 GSZ      OAM    CAL    CAN     120.500    3.000
 GSZ      OAM    CAL    NAK     123.000    3.000
 GSZ      CAN    CAL    NAK     116.500    3.000
 GSZ      CAL    CAN    HAN     108.810    3.000
 GSZ      CAL    CAN    CBA     109.470    3.000
 GSZ      CAL    CAN    CAZ     109.470    3.000
 GSZ      HAN    CAN    CBA     108.340    3.000
 GSZ      HAN    CAN    CAZ     108.340    3.000
 GSZ      CBA    CAN    CAZ     111.000    3.000
 GSZ      CAN    CBA    HBA3    109.470    3.000
 GSZ      CAN    CBA    HBA2    109.470    3.000
 GSZ      CAN    CBA    HBA1    109.470    3.000
 GSZ      HBA3   CBA    HBA2    109.470    3.000
 GSZ      HBA3   CBA    HBA1    109.470    3.000
 GSZ      HBA2   CBA    HBA1    109.470    3.000
 GSZ      CAN    CAZ    HAZ3    109.470    3.000
 GSZ      CAN    CAZ    HAZ2    109.470    3.000
 GSZ      CAN    CAZ    HAZ1    109.470    3.000
 GSZ      HAZ3   CAZ    HAZ2    109.470    3.000
 GSZ      HAZ3   CAZ    HAZ1    109.470    3.000
 GSZ      HAZ2   CAZ    HAZ1    109.470    3.000
 GSZ      CAL    NAK    HAK     120.000    3.000
 GSZ      CAL    NAK    CAC     121.500    3.000
 GSZ      HAK    NAK    CAC     118.500    3.000
 GSZ      NAK    CAC    HAC     108.550    3.000
 GSZ      NAK    CAC    CAD     109.470    3.000
 GSZ      NAK    CAC    CAB     110.000    3.000
 GSZ      HAC    CAC    CAD     109.470    3.000
 GSZ      HAC    CAC    CAB     108.340    3.000
 GSZ      CAD    CAC    CAB     109.470    3.000
 GSZ      CAC    CAD    NAE     126.000    3.000
 GSZ      CAC    CAD    NAO     126.000    3.000
 GSZ      NAE    CAD    NAO     108.000    3.000
 GSZ      CAD    NAE    CAF     126.000    3.000
 GSZ      CAD    NAE    CAQ     108.000    3.000
 GSZ      CAF    NAE    CAQ     126.000    3.000
 GSZ      NAE    CAF    HAF     109.470    3.000
 GSZ      NAE    CAF    CAI     109.470    3.000
 GSZ      NAE    CAF    CAA     109.470    3.000
 GSZ      HAF    CAF    CAI     108.340    3.000
 GSZ      HAF    CAF    CAA     108.340    3.000
 GSZ      CAI    CAF    CAA     111.000    3.000
 GSZ      CAF    CAI    HAI1    109.470    3.000
 GSZ      CAF    CAI    HAI2    109.470    3.000
 GSZ      CAF    CAI    OAJ     109.470    3.000
 GSZ      HAI1   CAI    HAI2    107.900    3.000
 GSZ      HAI1   CAI    OAJ     109.470    3.000
 GSZ      HAI2   CAI    OAJ     109.470    3.000
 GSZ      CAI    OAJ    HAJ     109.470    3.000
 GSZ      CAF    CAA    HAA     108.340    3.000
 GSZ      CAF    CAA    OAH     109.470    3.000
 GSZ      CAF    CAA    CAB     111.000    3.000
 GSZ      HAA    CAA    OAH     109.470    3.000
 GSZ      HAA    CAA    CAB     108.340    3.000
 GSZ      OAH    CAA    CAB     109.470    3.000
 GSZ      CAA    OAH    HAH     109.470    3.000
 GSZ      CAA    CAB    HAB     108.340    3.000
 GSZ      CAA    CAB    OAG     109.470    3.000
 GSZ      CAA    CAB    CAC     111.000    3.000
 GSZ      HAB    CAB    OAG     109.470    3.000
 GSZ      HAB    CAB    CAC     108.340    3.000
 GSZ      OAG    CAB    CAC     109.470    3.000
 GSZ      CAB    OAG    HAG     109.470    3.000
 GSZ      CAD    NAO    HAO     126.000    3.000
 GSZ      CAD    NAO    CAP     108.000    3.000
 GSZ      HAO    NAO    CAP     126.000    3.000
 GSZ      NAO    CAP    CAQ     108.000    3.000
 GSZ      NAO    CAP    CAR     126.000    3.000
 GSZ      CAQ    CAP    CAR     126.000    3.000
 GSZ      CAP    CAQ    HAQ     126.000    3.000
 GSZ      CAP    CAQ    NAE     108.000    3.000
 GSZ      HAQ    CAQ    NAE     126.000    3.000
 GSZ      CAP    CAR    HAR1    109.470    3.000
 GSZ      CAP    CAR    HAR2    109.470    3.000
 GSZ      CAP    CAR    CAS     109.470    3.000
 GSZ      HAR1   CAR    HAR2    107.900    3.000
 GSZ      HAR1   CAR    CAS     109.470    3.000
 GSZ      HAR2   CAR    CAS     109.470    3.000
 GSZ      CAR    CAS    HAS1    109.470    3.000
 GSZ      CAR    CAS    HAS2    109.470    3.000
 GSZ      CAR    CAS    CAT     109.470    3.000
 GSZ      HAS1   CAS    HAS2    107.900    3.000
 GSZ      HAS1   CAS    CAT     109.470    3.000
 GSZ      HAS2   CAS    CAT     109.470    3.000
 GSZ      CAS    CAT    CAY     120.000    3.000
 GSZ      CAS    CAT    CAU     120.000    3.000
 GSZ      CAY    CAT    CAU     120.000    3.000
 GSZ      CAT    CAY    HAY     120.000    3.000
 GSZ      CAT    CAY    CAX     120.000    3.000
 GSZ      HAY    CAY    CAX     120.000    3.000
 GSZ      CAY    CAX    HAX     120.000    3.000
 GSZ      CAY    CAX    CAW     120.000    3.000
 GSZ      HAX    CAX    CAW     120.000    3.000
 GSZ      CAX    CAW    HAW     120.000    3.000
 GSZ      CAX    CAW    CAV     120.000    3.000
 GSZ      HAW    CAW    CAV     120.000    3.000
 GSZ      CAW    CAV    HAV     120.000    3.000
 GSZ      CAW    CAV    CAU     120.000    3.000
 GSZ      HAV    CAV    CAU     120.000    3.000
 GSZ      CAV    CAU    HAU     120.000    3.000
 GSZ      CAV    CAU    CAT     120.000    3.000
 GSZ      HAU    CAU    CAT     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
 GSZ      var_1    OAM    CAL    CAN    CAZ      -91.058   20.000   3
 GSZ      var_2    CAL    CAN    CBA    HBA1      56.902   20.000   3
 GSZ      var_3    CAL    CAN    CAZ    HAZ1     179.377   20.000   3
 GSZ      CONST_1  OAM    CAL    NAK    CAC        0.000    0.000   0
 GSZ      var_4    CAL    NAK    CAC    CAD      146.047   20.000   3
 GSZ      var_5    NAK    CAC    CAB    CAA      -90.000   20.000   3
 GSZ      var_6    NAK    CAC    CAD    NAO      -60.000   20.000   1
 GSZ      CONST_2  CAC    CAD    NAE    CAF        0.000    0.000   0
 GSZ      CONST_3  CAD    NAE    CAQ    CAP        0.000    0.000   0
 GSZ      var_7    CAD    NAE    CAF    CAA      -30.000   20.000   1
 GSZ      var_8    NAE    CAF    CAI    OAJ      176.936   20.000   3
 GSZ      var_9    CAF    CAI    OAJ    HAJ      -35.662   20.000   1
 GSZ      var_10   NAE    CAF    CAA    CAB       30.000   20.000   3
 GSZ      var_11   CAF    CAA    OAH    HAH       22.556   20.000   1
 GSZ      var_12   CAF    CAA    CAB    OAG       60.000   20.000   3
 GSZ      var_13   CAA    CAB    OAG    HAG       62.894   20.000   1
 GSZ      CONST_4  CAC    CAD    NAO    CAP      180.000    0.000   0
 GSZ      CONST_5  CAD    NAO    CAP    CAR      180.000    0.000   0
 GSZ      CONST_6  NAO    CAP    CAQ    NAE        0.000    0.000   0
 GSZ      var_14   NAO    CAP    CAR    CAS       63.569   20.000   2
 GSZ      var_15   CAP    CAR    CAS    CAT       56.648   20.000   3
 GSZ      var_16   CAR    CAS    CAT    CAY       89.978   20.000   2
 GSZ      CONST_7  CAS    CAT    CAU    CAV      180.000    0.000   0
 GSZ      CONST_8  CAS    CAT    CAY    CAX      180.000    0.000   0
 GSZ      CONST_9  CAT    CAY    CAX    CAW        0.000    0.000   0
 GSZ      CONST_10 CAY    CAX    CAW    CAV        0.000    0.000   0
 GSZ      CONST_11 CAX    CAW    CAV    CAU        0.000    0.000   0
 GSZ      CONST_12 CAW    CAV    CAU    CAT        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
 GSZ      chir_01  CAN    CAZ    CBA    CAL       negativ
 GSZ      chir_02  CAC    NAK    CAB    CAD       positiv
 GSZ      chir_03  CAB    CAC    OAG    CAA       negativ
 GSZ      chir_04  CAA    CAB    OAH    CAF       positiv
 GSZ      chir_05  CAF    CAA    CAI    NAE       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
 GSZ      plan-1    CAL       0.020
 GSZ      plan-1    CAN       0.020
 GSZ      plan-1    OAM       0.020
 GSZ      plan-1    NAK       0.020
 GSZ      plan-1    HAK       0.020
 GSZ      plan-2    NAK       0.020
 GSZ      plan-2    CAL       0.020
 GSZ      plan-2    CAC       0.020
 GSZ      plan-2    HAK       0.020
 GSZ      plan-3    NAE       0.020
 GSZ      plan-3    CAF       0.020
 GSZ      plan-3    CAQ       0.020
 GSZ      plan-3    CAD       0.020
 GSZ      plan-3    NAO       0.020
 GSZ      plan-3    CAP       0.020
 GSZ      plan-3    HAQ       0.020
 GSZ      plan-3    CAC       0.020
 GSZ      plan-3    HAO       0.020
 GSZ      plan-3    CAR       0.020
 GSZ      plan-4    CAT       0.020
 GSZ      plan-4    CAS       0.020
 GSZ      plan-4    CAU       0.020
 GSZ      plan-4    CAY       0.020
 GSZ      plan-4    CAV       0.020
 GSZ      plan-4    CAW       0.020
 GSZ      plan-4    CAX       0.020
 GSZ      plan-4    HAU       0.020
 GSZ      plan-4    HAV       0.020
 GSZ      plan-4    HAW       0.020
 GSZ      plan-4    HAX       0.020
 GSZ      plan-4    HAY       0.020
# ------------------------------------------------------
