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
ZX8      ZX8 'N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydrox' non-polymer        43  23 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZX8
#
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
 ZX8           OAB    O    O         0.000      0.000    0.000    0.000
 ZX8           CAO    C    C         0.000     -1.201   -0.092    0.173
 ZX8           CAP    C    CR5       0.000     -1.771    0.140    1.508
 ZX8           OAN    O    O2        0.000     -3.084    0.066    1.815
 ZX8           CAR    C    CR56      0.000     -3.286    0.331    3.120
 ZX8           CAI    C    CR16      0.000     -4.425    0.383    3.915
 ZX8           HAI    H    H         0.000     -5.398    0.181    3.484
 ZX8           CAG    C    CR16      0.000     -4.313    0.691    5.254
 ZX8           HAG    H    H         0.000     -5.202    0.730    5.871
 ZX8           CAF    C    CR16      0.000     -3.073    0.952    5.821
 ZX8           HAF    H    H         0.000     -3.003    1.192    6.874
 ZX8           CAH    C    CR16      0.000     -1.940    0.907    5.059
 ZX8           HAH    H    H         0.000     -0.975    1.113    5.506
 ZX8           CAQ    C    CR56      0.000     -2.031    0.596    3.700
 ZX8           CAJ    C    CR15      0.000     -1.058    0.463    2.617
 ZX8           HAJ    H    H         0.000      0.015    0.596    2.686
 ZX8           NAL    N    NH1       0.000     -2.008   -0.408   -0.859
 ZX8           HNAL   H    H         0.000     -3.005   -0.485   -0.715
 ZX8           CAK    C    CH2       0.000     -1.440   -0.641   -2.189
 ZX8           HAK    H    H         0.000     -0.732   -1.471   -2.142
 ZX8           HAKA   H    H         0.000     -0.921    0.259   -2.525
 ZX8           CAT    C    CH1       0.000     -2.563   -0.980   -3.171
 ZX8           HAT    H    H         0.000     -3.026   -1.934   -2.882
 ZX8           CAV    C    CH1       0.000     -1.985   -1.101   -4.584
 ZX8           HAV    H    H         0.000     -1.508   -0.153   -4.868
 ZX8           OAD    O    OH1       0.000     -1.015   -2.150   -4.614
 ZX8           HOAD   H    H         0.000     -0.651   -2.226   -5.506
 ZX8           CAW    C    CH1       0.000     -3.114   -1.421   -5.566
 ZX8           HAW    H    H         0.000     -3.564   -2.389   -5.306
 ZX8           OAE    O    OH1       0.000     -2.590   -1.479   -6.895
 ZX8           HOAE   H    H         0.000     -3.306   -1.676   -7.514
 ZX8           CAU    C    CH1       0.000     -4.178   -0.323   -5.484
 ZX8           HAU    H    H         0.000     -5.012   -0.569   -6.156
 ZX8           OAC    O    OH1       0.000     -3.604    0.927   -5.873
 ZX8           HOAC   H    H         0.000     -3.280    0.864   -6.781
 ZX8           CAS    C    CH1       0.000     -4.692   -0.224   -4.046
 ZX8           HAS    H    H         0.000     -5.145   -1.181   -3.753
 ZX8           CAA    C    CH3       0.000     -5.741    0.886   -3.954
 ZX8           HAAB   H    H         0.000     -6.548    0.665   -4.604
 ZX8           HAAA   H    H         0.000     -6.098    0.954   -2.959
 ZX8           HAA    H    H         0.000     -5.305    1.810   -4.236
 ZX8           NAM    N    NH1       0.000     -3.574    0.084   -3.145
 ZX8           HNAM   H    H         0.000     -3.510    0.919   -2.581
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
 ZX8      OAB    n/a    CAO    START
 ZX8      CAO    OAB    NAL    .
 ZX8      CAP    CAO    CAJ    .
 ZX8      OAN    CAP    CAR    .
 ZX8      CAR    OAN    CAQ    .
 ZX8      CAI    CAR    CAG    .
 ZX8      HAI    CAI    .      .
 ZX8      CAG    CAI    CAF    .
 ZX8      HAG    CAG    .      .
 ZX8      CAF    CAG    CAH    .
 ZX8      HAF    CAF    .      .
 ZX8      CAH    CAF    HAH    .
 ZX8      HAH    CAH    .      .
 ZX8      CAQ    CAR    .      .
 ZX8      CAJ    CAP    HAJ    .
 ZX8      HAJ    CAJ    .      .
 ZX8      NAL    CAO    CAK    .
 ZX8      HNAL   NAL    .      .
 ZX8      CAK    NAL    CAT    .
 ZX8      HAK    CAK    .      .
 ZX8      HAKA   CAK    .      .
 ZX8      CAT    CAK    CAV    .
 ZX8      HAT    CAT    .      .
 ZX8      CAV    CAT    CAW    .
 ZX8      HAV    CAV    .      .
 ZX8      OAD    CAV    HOAD   .
 ZX8      HOAD   OAD    .      .
 ZX8      CAW    CAV    CAU    .
 ZX8      HAW    CAW    .      .
 ZX8      OAE    CAW    HOAE   .
 ZX8      HOAE   OAE    .      .
 ZX8      CAU    CAW    CAS    .
 ZX8      HAU    CAU    .      .
 ZX8      OAC    CAU    HOAC   .
 ZX8      HOAC   OAC    .      .
 ZX8      CAS    CAU    NAM    .
 ZX8      HAS    CAS    .      .
 ZX8      CAA    CAS    HAA    .
 ZX8      HAAB   CAA    .      .
 ZX8      HAAA   CAA    .      .
 ZX8      HAA    CAA    .      .
 ZX8      NAM    CAS    HNAM   .
 ZX8      HNAM   NAM    .      END
 ZX8      CAJ    CAQ    .    ADD
 ZX8      CAQ    CAH    .    ADD
 ZX8      CAT    NAM    .    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
 ZX8      CAJ    CAQ       single      1.440    0.020
 ZX8      CAJ    CAP       double      1.387    0.020
 ZX8      CAQ    CAH       double      1.390    0.020
 ZX8      CAQ    CAR       single      1.490    0.020
 ZX8      CAH    CAF       single      1.390    0.020
 ZX8      CAF    CAG       double      1.390    0.020
 ZX8      CAG    CAI       single      1.390    0.020
 ZX8      CAI    CAR       double      1.390    0.020
 ZX8      CAR    OAN       single      1.329    0.020
 ZX8      OAN    CAP       single      1.370    0.020
 ZX8      CAP    CAO       single      1.490    0.020
 ZX8      CAO    OAB       double      1.220    0.020
 ZX8      NAL    CAO       single      1.330    0.020
 ZX8      CAK    NAL       single      1.450    0.020
 ZX8      CAT    CAK       single      1.524    0.020
 ZX8      CAT    NAM       single      1.450    0.020
 ZX8      CAV    CAT       single      1.524    0.020
 ZX8      NAM    CAS       single      1.450    0.020
 ZX8      CAA    CAS       single      1.524    0.020
 ZX8      CAS    CAU       single      1.524    0.020
 ZX8      OAC    CAU       single      1.432    0.020
 ZX8      CAU    CAW       single      1.524    0.020
 ZX8      OAE    CAW       single      1.432    0.020
 ZX8      CAW    CAV       single      1.524    0.020
 ZX8      OAD    CAV       single      1.432    0.020
 ZX8      HAJ    CAJ       single      1.083    0.020
 ZX8      HAH    CAH       single      1.083    0.020
 ZX8      HAF    CAF       single      1.083    0.020
 ZX8      HAG    CAG       single      1.083    0.020
 ZX8      HAI    CAI       single      1.083    0.020
 ZX8      HNAL   NAL       single      1.010    0.020
 ZX8      HAK    CAK       single      1.092    0.020
 ZX8      HAKA   CAK       single      1.092    0.020
 ZX8      HAT    CAT       single      1.099    0.020
 ZX8      HNAM   NAM       single      1.010    0.020
 ZX8      HAS    CAS       single      1.099    0.020
 ZX8      HAA    CAA       single      1.059    0.020
 ZX8      HAAA   CAA       single      1.059    0.020
 ZX8      HAAB   CAA       single      1.059    0.020
 ZX8      HAU    CAU       single      1.099    0.020
 ZX8      HOAC   OAC       single      0.967    0.020
 ZX8      HAW    CAW       single      1.099    0.020
 ZX8      HOAE   OAE       single      0.967    0.020
 ZX8      HAV    CAV       single      1.099    0.020
 ZX8      HOAD   OAD       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
 ZX8      OAB    CAO    CAP     120.500    3.000
 ZX8      OAB    CAO    NAL     123.000    3.000
 ZX8      CAP    CAO    NAL     120.000    3.000
 ZX8      CAO    CAP    OAN     108.000    3.000
 ZX8      CAO    CAP    CAJ     126.000    3.000
 ZX8      OAN    CAP    CAJ     108.000    3.000
 ZX8      CAP    OAN    CAR     120.000    3.000
 ZX8      OAN    CAR    CAI     120.000    3.000
 ZX8      OAN    CAR    CAQ     120.000    3.000
 ZX8      CAI    CAR    CAQ     120.000    3.000
 ZX8      CAR    CAI    HAI     120.000    3.000
 ZX8      CAR    CAI    CAG     120.000    3.000
 ZX8      HAI    CAI    CAG     120.000    3.000
 ZX8      CAI    CAG    HAG     120.000    3.000
 ZX8      CAI    CAG    CAF     120.000    3.000
 ZX8      HAG    CAG    CAF     120.000    3.000
 ZX8      CAG    CAF    HAF     120.000    3.000
 ZX8      CAG    CAF    CAH     120.000    3.000
 ZX8      HAF    CAF    CAH     120.000    3.000
 ZX8      CAF    CAH    HAH     120.000    3.000
 ZX8      CAF    CAH    CAQ     120.000    3.000
 ZX8      HAH    CAH    CAQ     120.000    3.000
 ZX8      CAR    CAQ    CAJ     120.000    3.000
 ZX8      CAR    CAQ    CAH     120.000    3.000
 ZX8      CAJ    CAQ    CAH     126.000    3.000
 ZX8      CAP    CAJ    HAJ     126.000    3.000
 ZX8      CAP    CAJ    CAQ     108.000    3.000
 ZX8      HAJ    CAJ    CAQ     108.000    3.000
 ZX8      CAO    NAL    HNAL    120.000    3.000
 ZX8      CAO    NAL    CAK     121.500    3.000
 ZX8      HNAL   NAL    CAK     118.500    3.000
 ZX8      NAL    CAK    HAK     109.470    3.000
 ZX8      NAL    CAK    HAKA    109.470    3.000
 ZX8      NAL    CAK    CAT     110.000    3.000
 ZX8      HAK    CAK    HAKA    107.900    3.000
 ZX8      HAK    CAK    CAT     109.470    3.000
 ZX8      HAKA   CAK    CAT     109.470    3.000
 ZX8      CAK    CAT    HAT     108.340    3.000
 ZX8      CAK    CAT    CAV     111.000    3.000
 ZX8      CAK    CAT    NAM     110.000    3.000
 ZX8      HAT    CAT    CAV     108.340    3.000
 ZX8      HAT    CAT    NAM     108.550    3.000
 ZX8      CAV    CAT    NAM     110.000    3.000
 ZX8      CAT    CAV    HAV     108.340    3.000
 ZX8      CAT    CAV    OAD     109.470    3.000
 ZX8      CAT    CAV    CAW     111.000    3.000
 ZX8      HAV    CAV    OAD     109.470    3.000
 ZX8      HAV    CAV    CAW     108.340    3.000
 ZX8      OAD    CAV    CAW     109.470    3.000
 ZX8      CAV    OAD    HOAD    109.470    3.000
 ZX8      CAV    CAW    HAW     108.340    3.000
 ZX8      CAV    CAW    OAE     109.470    3.000
 ZX8      CAV    CAW    CAU     111.000    3.000
 ZX8      HAW    CAW    OAE     109.470    3.000
 ZX8      HAW    CAW    CAU     108.340    3.000
 ZX8      OAE    CAW    CAU     109.470    3.000
 ZX8      CAW    OAE    HOAE    109.470    3.000
 ZX8      CAW    CAU    HAU     108.340    3.000
 ZX8      CAW    CAU    OAC     109.470    3.000
 ZX8      CAW    CAU    CAS     111.000    3.000
 ZX8      HAU    CAU    OAC     109.470    3.000
 ZX8      HAU    CAU    CAS     108.340    3.000
 ZX8      OAC    CAU    CAS     109.470    3.000
 ZX8      CAU    OAC    HOAC    109.470    3.000
 ZX8      CAU    CAS    HAS     108.340    3.000
 ZX8      CAU    CAS    CAA     111.000    3.000
 ZX8      CAU    CAS    NAM     110.000    3.000
 ZX8      HAS    CAS    CAA     108.340    3.000
 ZX8      HAS    CAS    NAM     108.550    3.000
 ZX8      CAA    CAS    NAM     110.000    3.000
 ZX8      CAS    CAA    HAAB    109.470    3.000
 ZX8      CAS    CAA    HAAA    109.470    3.000
 ZX8      CAS    CAA    HAA     109.470    3.000
 ZX8      HAAB   CAA    HAAA    109.470    3.000
 ZX8      HAAB   CAA    HAA     109.470    3.000
 ZX8      HAAA   CAA    HAA     109.470    3.000
 ZX8      CAS    NAM    HNAM    118.500    3.000
 ZX8      CAS    NAM    CAT     120.000    3.000
 ZX8      HNAM   NAM    CAT     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
 ZX8      var_1    OAB    CAO    CAP    CAJ        0.036   20.000   1
 ZX8      CONST_1  CAO    CAP    OAN    CAR      180.000    0.000   0
 ZX8      CONST_2  CAP    OAN    CAR    CAQ        0.000    0.000   0
 ZX8      CONST_3  OAN    CAR    CAI    CAG      180.000    0.000   0
 ZX8      CONST_4  CAR    CAI    CAG    CAF        0.000    0.000   0
 ZX8      CONST_5  CAI    CAG    CAF    CAH        0.000    0.000   0
 ZX8      CONST_6  CAG    CAF    CAH    CAQ        0.000    0.000   0
 ZX8      CONST_7  OAN    CAR    CAQ    CAJ        0.000    0.000   0
 ZX8      CONST_8  CAR    CAQ    CAH    CAF        0.000    0.000   0
 ZX8      CONST_9  CAO    CAP    CAJ    CAQ      180.000    0.000   0
 ZX8      CONST_10 CAP    CAJ    CAQ    CAR        0.000    0.000   0
 ZX8      CONST_11 OAB    CAO    NAL    CAK        0.000    0.000   0
 ZX8      var_2    CAO    NAL    CAK    CAT     -179.996   20.000   3
 ZX8      var_3    NAL    CAK    CAT    CAV      175.039   20.000   3
 ZX8      var_4    CAK    CAT    NAM    CAS      180.000   20.000   3
 ZX8      var_5    CAK    CAT    CAV    CAW      180.000   20.000   3
 ZX8      var_6    CAT    CAV    OAD    HOAD     179.989   20.000   1
 ZX8      var_7    CAT    CAV    CAW    CAU       60.000   20.000   3
 ZX8      var_8    CAV    CAW    OAE    HOAE    -179.711   20.000   1
 ZX8      var_9    CAV    CAW    CAU    CAS      -60.000   20.000   3
 ZX8      var_10   CAW    CAU    OAC    HOAC      60.232   20.000   1
 ZX8      var_11   CAW    CAU    CAS    NAM       60.000   20.000   3
 ZX8      var_12   CAU    CAS    CAA    HAA      -60.112   20.000   3
 ZX8      var_13   CAU    CAS    NAM    CAT      -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
 ZX8      chir_01  CAT    CAK    NAM    CAV       negativ
 ZX8      chir_02  CAS    NAM    CAA    CAU       negativ
 ZX8      chir_03  CAU    CAS    OAC    CAW       negativ
 ZX8      chir_04  CAW    CAU    OAE    CAV       negativ
 ZX8      chir_05  CAV    CAT    CAW    OAD       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
 ZX8      plan-1    CAJ       0.020
 ZX8      plan-1    CAQ       0.020
 ZX8      plan-1    CAP       0.020
 ZX8      plan-1    HAJ       0.020
 ZX8      plan-1    OAN       0.020
 ZX8      plan-1    CAH       0.020
 ZX8      plan-1    CAR       0.020
 ZX8      plan-1    CAF       0.020
 ZX8      plan-1    CAG       0.020
 ZX8      plan-1    CAI       0.020
 ZX8      plan-1    HAH       0.020
 ZX8      plan-1    HAF       0.020
 ZX8      plan-1    HAG       0.020
 ZX8      plan-1    HAI       0.020
 ZX8      plan-1    CAO       0.020
 ZX8      plan-2    CAO       0.020
 ZX8      plan-2    CAP       0.020
 ZX8      plan-2    OAB       0.020
 ZX8      plan-2    NAL       0.020
 ZX8      plan-2    HNAL      0.020
 ZX8      plan-3    NAL       0.020
 ZX8      plan-3    CAO       0.020
 ZX8      plan-3    CAK       0.020
 ZX8      plan-3    HNAL      0.020
 ZX8      plan-4    NAM       0.020
 ZX8      plan-4    CAT       0.020
 ZX8      plan-4    CAS       0.020
 ZX8      plan-4    HNAM      0.020
# ------------------------------------------------------
