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
ZX7      ZX7 'N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydrox' non-polymer        44  23 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZX7
#
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
 ZX7           OAB    O    O         0.000      0.000    0.000    0.000
 ZX7           CAO    C    C         0.000     -1.200    0.091   -0.176
 ZX7           CAP    C    CR5       0.000     -1.770   -0.171   -1.507
 ZX7           NAN    N    NR15      0.000     -3.111   -0.105   -1.832
 ZX7           HNAN   H    H         0.000     -3.881    0.136   -1.176
 ZX7           CAR    C    CR56      0.000     -3.260   -0.410   -3.164
 ZX7           CAI    C    CR16      0.000     -4.366   -0.493   -4.004
 ZX7           HAI    H    H         0.000     -5.357   -0.287   -3.619
 ZX7           CAG    C    CR16      0.000     -4.197   -0.837   -5.327
 ZX7           HAG    H    H         0.000     -5.059   -0.901   -5.979
 ZX7           CAF    C    CR16      0.000     -2.932   -1.103   -5.833
 ZX7           HAF    H    H         0.000     -2.816   -1.372   -6.876
 ZX7           CAH    C    CR16      0.000     -1.831   -1.027   -5.029
 ZX7           HAH    H    H         0.000     -0.848   -1.236   -5.433
 ZX7           CAQ    C    CR56      0.000     -1.977   -0.680   -3.679
 ZX7           CAJ    C    CR15      0.000     -1.060   -0.520   -2.612
 ZX7           HAJ    H    H         0.000      0.013   -0.653   -2.667
 ZX7           NAL    N    NH1       0.000     -2.008    0.433    0.846
 ZX7           HNAL   H    H         0.000     -3.004    0.510    0.699
 ZX7           CAK    C    CH2       0.000     -1.442    0.695    2.172
 ZX7           HAK    H    H         0.000     -0.732    1.522    2.107
 ZX7           HAKA   H    H         0.000     -0.925   -0.199    2.529
 ZX7           CAT    C    CH1       0.000     -2.565    1.059    3.144
 ZX7           HAT    H    H         0.000     -3.025    2.008    2.833
 ZX7           CAV    C    CH1       0.000     -1.989    1.210    4.555
 ZX7           HAV    H    H         0.000     -1.517    0.266    4.861
 ZX7           OAD    O    OH1       0.000     -1.016    2.256    4.564
 ZX7           HOAD   H    H         0.000     -0.656    2.352    5.456
 ZX7           NAM    N    NH1       0.000     -3.579   -0.002    3.139
 ZX7           HNAM   H    H         0.000     -3.516   -0.849    2.593
 ZX7           CAS    C    CH1       0.000     -4.698    0.329    4.031
 ZX7           HAS    H    H         0.000     -5.148    1.281    3.715
 ZX7           CAA    C    CH3       0.000     -5.751   -0.780    3.962
 ZX7           HAAB   H    H         0.000     -6.106   -0.871    2.968
 ZX7           HAAA   H    H         0.000     -5.319   -1.698    4.267
 ZX7           HAA    H    H         0.000     -6.559   -0.541    4.604
 ZX7           CAU    C    CH1       0.000     -4.188    0.458    5.467
 ZX7           HAU    H    H         0.000     -5.023    0.721    6.131
 ZX7           OAC    O    OH1       0.000     -3.618   -0.784    5.884
 ZX7           HOAC   H    H         0.000     -3.293   -0.701    6.791
 ZX7           CAW    C    CH1       0.000     -3.120    1.555    5.527
 ZX7           HAW    H    H         0.000     -3.567    2.518    5.245
 ZX7           OAE    O    OH1       0.000     -2.598    1.640    6.855
 ZX7           HOAE   H    H         0.000     -3.313    1.858    7.468
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
 ZX7      OAB    n/a    CAO    START
 ZX7      CAO    OAB    NAL    .
 ZX7      CAP    CAO    NAN    .
 ZX7      NAN    CAP    CAR    .
 ZX7      HNAN   NAN    .      .
 ZX7      CAR    NAN    CAQ    .
 ZX7      CAI    CAR    CAG    .
 ZX7      HAI    CAI    .      .
 ZX7      CAG    CAI    CAF    .
 ZX7      HAG    CAG    .      .
 ZX7      CAF    CAG    CAH    .
 ZX7      HAF    CAF    .      .
 ZX7      CAH    CAF    HAH    .
 ZX7      HAH    CAH    .      .
 ZX7      CAQ    CAR    CAJ    .
 ZX7      CAJ    CAQ    HAJ    .
 ZX7      HAJ    CAJ    .      .
 ZX7      NAL    CAO    CAK    .
 ZX7      HNAL   NAL    .      .
 ZX7      CAK    NAL    CAT    .
 ZX7      HAK    CAK    .      .
 ZX7      HAKA   CAK    .      .
 ZX7      CAT    CAK    NAM    .
 ZX7      HAT    CAT    .      .
 ZX7      CAV    CAT    OAD    .
 ZX7      HAV    CAV    .      .
 ZX7      OAD    CAV    HOAD   .
 ZX7      HOAD   OAD    .      .
 ZX7      NAM    CAT    CAS    .
 ZX7      HNAM   NAM    .      .
 ZX7      CAS    NAM    CAU    .
 ZX7      HAS    CAS    .      .
 ZX7      CAA    CAS    HAA    .
 ZX7      HAAB   CAA    .      .
 ZX7      HAAA   CAA    .      .
 ZX7      HAA    CAA    .      .
 ZX7      CAU    CAS    CAW    .
 ZX7      HAU    CAU    .      .
 ZX7      OAC    CAU    HOAC   .
 ZX7      HOAC   OAC    .      .
 ZX7      CAW    CAU    OAE    .
 ZX7      HAW    CAW    .      .
 ZX7      OAE    CAW    HOAE   .
 ZX7      HOAE   OAE    .      END
 ZX7      CAV    CAW    .    ADD
 ZX7      CAP    CAJ    .    ADD
 ZX7      CAQ    CAH    .    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
 ZX7      OAD    CAV       single      1.432    0.020
 ZX7      CAV    CAW       single      1.524    0.020
 ZX7      CAV    CAT       single      1.524    0.020
 ZX7      OAE    CAW       single      1.432    0.020
 ZX7      CAW    CAU       single      1.524    0.020
 ZX7      OAC    CAU       single      1.432    0.020
 ZX7      CAU    CAS       single      1.524    0.020
 ZX7      CAA    CAS       single      1.524    0.020
 ZX7      CAS    NAM       single      1.450    0.020
 ZX7      NAM    CAT       single      1.450    0.020
 ZX7      CAT    CAK       single      1.524    0.020
 ZX7      CAK    NAL       single      1.450    0.020
 ZX7      NAL    CAO       single      1.330    0.020
 ZX7      CAO    OAB       double      1.220    0.020
 ZX7      CAP    CAO       single      1.490    0.020
 ZX7      CAP    CAJ       double      1.387    0.020
 ZX7      NAN    CAP       single      1.340    0.020
 ZX7      CAJ    CAQ       single      1.440    0.020
 ZX7      CAQ    CAH       double      1.390    0.020
 ZX7      CAQ    CAR       single      1.490    0.020
 ZX7      CAH    CAF       single      1.390    0.020
 ZX7      CAF    CAG       double      1.390    0.020
 ZX7      CAG    CAI       single      1.390    0.020
 ZX7      CAI    CAR       double      1.390    0.020
 ZX7      CAR    NAN       single      1.340    0.020
 ZX7      HOAD   OAD       single      0.967    0.020
 ZX7      HAV    CAV       single      1.099    0.020
 ZX7      HAW    CAW       single      1.099    0.020
 ZX7      HOAE   OAE       single      0.967    0.020
 ZX7      HAU    CAU       single      1.099    0.020
 ZX7      HOAC   OAC       single      0.967    0.020
 ZX7      HAS    CAS       single      1.099    0.020
 ZX7      HAA    CAA       single      1.059    0.020
 ZX7      HAAA   CAA       single      1.059    0.020
 ZX7      HAAB   CAA       single      1.059    0.020
 ZX7      HNAM   NAM       single      1.010    0.020
 ZX7      HAT    CAT       single      1.099    0.020
 ZX7      HAK    CAK       single      1.092    0.020
 ZX7      HAKA   CAK       single      1.092    0.020
 ZX7      HNAL   NAL       single      1.010    0.020
 ZX7      HAJ    CAJ       single      1.083    0.020
 ZX7      HAH    CAH       single      1.083    0.020
 ZX7      HAF    CAF       single      1.083    0.020
 ZX7      HAG    CAG       single      1.083    0.020
 ZX7      HAI    CAI       single      1.083    0.020
 ZX7      HNAN   NAN       single      1.040    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
 ZX7      OAB    CAO    CAP     120.500    3.000
 ZX7      OAB    CAO    NAL     123.000    3.000
 ZX7      CAP    CAO    NAL     120.000    3.000
 ZX7      CAO    CAP    NAN     126.000    3.000
 ZX7      CAO    CAP    CAJ     126.000    3.000
 ZX7      NAN    CAP    CAJ     108.000    3.000
 ZX7      CAP    NAN    HNAN    126.000    3.000
 ZX7      CAP    NAN    CAR     108.000    3.000
 ZX7      HNAN   NAN    CAR     126.000    3.000
 ZX7      NAN    CAR    CAI     132.000    3.000
 ZX7      NAN    CAR    CAQ     108.000    3.000
 ZX7      CAI    CAR    CAQ     120.000    3.000
 ZX7      CAR    CAI    HAI     120.000    3.000
 ZX7      CAR    CAI    CAG     120.000    3.000
 ZX7      HAI    CAI    CAG     120.000    3.000
 ZX7      CAI    CAG    HAG     120.000    3.000
 ZX7      CAI    CAG    CAF     120.000    3.000
 ZX7      HAG    CAG    CAF     120.000    3.000
 ZX7      CAG    CAF    HAF     120.000    3.000
 ZX7      CAG    CAF    CAH     120.000    3.000
 ZX7      HAF    CAF    CAH     120.000    3.000
 ZX7      CAF    CAH    HAH     120.000    3.000
 ZX7      CAF    CAH    CAQ     120.000    3.000
 ZX7      HAH    CAH    CAQ     120.000    3.000
 ZX7      CAR    CAQ    CAJ     120.000    3.000
 ZX7      CAR    CAQ    CAH     120.000    3.000
 ZX7      CAJ    CAQ    CAH     126.000    3.000
 ZX7      CAQ    CAJ    HAJ     108.000    3.000
 ZX7      CAQ    CAJ    CAP     108.000    3.000
 ZX7      HAJ    CAJ    CAP     126.000    3.000
 ZX7      CAO    NAL    HNAL    120.000    3.000
 ZX7      CAO    NAL    CAK     121.500    3.000
 ZX7      HNAL   NAL    CAK     118.500    3.000
 ZX7      NAL    CAK    HAK     109.470    3.000
 ZX7      NAL    CAK    HAKA    109.470    3.000
 ZX7      NAL    CAK    CAT     110.000    3.000
 ZX7      HAK    CAK    HAKA    107.900    3.000
 ZX7      HAK    CAK    CAT     109.470    3.000
 ZX7      HAKA   CAK    CAT     109.470    3.000
 ZX7      CAK    CAT    HAT     108.340    3.000
 ZX7      CAK    CAT    CAV     111.000    3.000
 ZX7      CAK    CAT    NAM     110.000    3.000
 ZX7      HAT    CAT    CAV     108.340    3.000
 ZX7      HAT    CAT    NAM     108.550    3.000
 ZX7      CAV    CAT    NAM     110.000    3.000
 ZX7      CAT    CAV    HAV     108.340    3.000
 ZX7      CAT    CAV    OAD     109.470    3.000
 ZX7      CAT    CAV    CAW     111.000    3.000
 ZX7      HAV    CAV    OAD     109.470    3.000
 ZX7      HAV    CAV    CAW     108.340    3.000
 ZX7      OAD    CAV    CAW     109.470    3.000
 ZX7      CAV    OAD    HOAD    109.470    3.000
 ZX7      CAT    NAM    HNAM    118.500    3.000
 ZX7      CAT    NAM    CAS     120.000    3.000
 ZX7      HNAM   NAM    CAS     118.500    3.000
 ZX7      NAM    CAS    HAS     108.550    3.000
 ZX7      NAM    CAS    CAA     110.000    3.000
 ZX7      NAM    CAS    CAU     110.000    3.000
 ZX7      HAS    CAS    CAA     108.340    3.000
 ZX7      HAS    CAS    CAU     108.340    3.000
 ZX7      CAA    CAS    CAU     111.000    3.000
 ZX7      CAS    CAA    HAAB    109.470    3.000
 ZX7      CAS    CAA    HAAA    109.470    3.000
 ZX7      CAS    CAA    HAA     109.470    3.000
 ZX7      HAAB   CAA    HAAA    109.470    3.000
 ZX7      HAAB   CAA    HAA     109.470    3.000
 ZX7      HAAA   CAA    HAA     109.470    3.000
 ZX7      CAS    CAU    HAU     108.340    3.000
 ZX7      CAS    CAU    OAC     109.470    3.000
 ZX7      CAS    CAU    CAW     111.000    3.000
 ZX7      HAU    CAU    OAC     109.470    3.000
 ZX7      HAU    CAU    CAW     108.340    3.000
 ZX7      OAC    CAU    CAW     109.470    3.000
 ZX7      CAU    OAC    HOAC    109.470    3.000
 ZX7      CAU    CAW    HAW     108.340    3.000
 ZX7      CAU    CAW    OAE     109.470    3.000
 ZX7      CAU    CAW    CAV     111.000    3.000
 ZX7      HAW    CAW    OAE     109.470    3.000
 ZX7      HAW    CAW    CAV     108.340    3.000
 ZX7      OAE    CAW    CAV     109.470    3.000
 ZX7      CAW    OAE    HOAE    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
 ZX7      var_1    OAB    CAO    CAP    NAN      179.750   20.000   1
 ZX7      CONST_1  CAO    CAP    CAJ    CAQ      180.000    0.000   0
 ZX7      CONST_2  CAO    CAP    NAN    CAR      180.000    0.000   0
 ZX7      CONST_3  CAP    NAN    CAR    CAQ        0.000    0.000   0
 ZX7      CONST_4  NAN    CAR    CAI    CAG      180.000    0.000   0
 ZX7      CONST_5  CAR    CAI    CAG    CAF        0.000    0.000   0
 ZX7      CONST_6  CAI    CAG    CAF    CAH        0.000    0.000   0
 ZX7      CONST_7  CAG    CAF    CAH    CAQ        0.000    0.000   0
 ZX7      CONST_8  NAN    CAR    CAQ    CAJ        0.000    0.000   0
 ZX7      CONST_9  CAR    CAQ    CAH    CAF        0.000    0.000   0
 ZX7      CONST_10 CAR    CAQ    CAJ    CAP        0.000    0.000   0
 ZX7      CONST_11 OAB    CAO    NAL    CAK        0.000    0.000   0
 ZX7      var_2    CAO    NAL    CAK    CAT     -179.986   20.000   3
 ZX7      var_3    NAL    CAK    CAT    NAM       54.969   20.000   3
 ZX7      var_4    CAK    CAT    CAV    OAD       60.000   20.000   3
 ZX7      var_5    CAT    CAV    CAW    CAU       60.000   20.000   3
 ZX7      var_6    CAT    CAV    OAD    HOAD     179.824   20.000   1
 ZX7      var_7    CAK    CAT    NAM    CAS      180.000   20.000   3
 ZX7      var_8    CAT    NAM    CAS    CAU      -60.000   20.000   3
 ZX7      var_9    NAM    CAS    CAA    HAA     -179.896   20.000   3
 ZX7      var_10   NAM    CAS    CAU    CAW       60.000   20.000   3
 ZX7      var_11   CAS    CAU    OAC    HOAC     179.832   20.000   1
 ZX7      var_12   CAS    CAU    CAW    OAE      180.000   20.000   3
 ZX7      var_13   CAU    CAW    OAE    HOAE     -60.313   20.000   1
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
 ZX7      chir_01  CAV    OAD    CAW    CAT       negativ
 ZX7      chir_02  CAW    CAV    OAE    CAU       positiv
 ZX7      chir_03  CAU    CAW    OAC    CAS       positiv
 ZX7      chir_04  CAS    CAU    CAA    NAM       positiv
 ZX7      chir_05  CAT    CAV    NAM    CAK       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
 ZX7      plan-1    NAM       0.020
 ZX7      plan-1    CAS       0.020
 ZX7      plan-1    CAT       0.020
 ZX7      plan-1    HNAM      0.020
 ZX7      plan-2    NAL       0.020
 ZX7      plan-2    CAK       0.020
 ZX7      plan-2    CAO       0.020
 ZX7      plan-2    HNAL      0.020
 ZX7      plan-3    CAO       0.020
 ZX7      plan-3    NAL       0.020
 ZX7      plan-3    OAB       0.020
 ZX7      plan-3    CAP       0.020
 ZX7      plan-3    HNAL      0.020
 ZX7      plan-4    CAP       0.020
 ZX7      plan-4    CAO       0.020
 ZX7      plan-4    CAJ       0.020
 ZX7      plan-4    NAN       0.020
 ZX7      plan-4    CAQ       0.020
 ZX7      plan-4    HAJ       0.020
 ZX7      plan-4    CAH       0.020
 ZX7      plan-4    CAR       0.020
 ZX7      plan-4    CAF       0.020
 ZX7      plan-4    CAG       0.020
 ZX7      plan-4    CAI       0.020
 ZX7      plan-4    HAH       0.020
 ZX7      plan-4    HAF       0.020
 ZX7      plan-4    HAG       0.020
 ZX7      plan-4    HAI       0.020
 ZX7      plan-4    HNAN      0.020
# ------------------------------------------------------
