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
ZXD      ZXD '(2S,3R,4S,5R)-2-(1-methylethyl)piper' non-polymer        29  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZXD
#
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
 ZXD           OAE    O    OH1       0.000      0.000    0.000    0.000
 ZXD           HOAE   H    H         0.000      0.833   -0.323    0.369
 ZXD           CAK    C    CH1       0.000     -1.088   -0.472    0.798
 ZXD           HAK    H    H         0.000     -1.089   -1.571    0.803
 ZXD           CAL    C    CH1       0.000     -2.408    0.038    0.216
 ZXD           HAL    H    H         0.000     -3.245   -0.337    0.821
 ZXD           CAH    C    CH1       0.000     -2.557   -0.460   -1.223
 ZXD           HAH    H    H         0.000     -1.682   -0.149   -1.811
 ZXD           CAB    C    CH3       0.000     -3.824    0.135   -1.840
 ZXD           HABB   H    H         0.000     -3.792    1.192   -1.766
 ZXD           HABA   H    H         0.000     -3.886   -0.144   -2.860
 ZXD           HAB    H    H         0.000     -4.674   -0.228   -1.323
 ZXD           CAA    C    CH3       0.000     -2.657   -1.987   -1.227
 ZXD           HAAB   H    H         0.000     -2.760   -2.333   -2.222
 ZXD           HAAA   H    H         0.000     -1.780   -2.401   -0.799
 ZXD           HAA    H    H         0.000     -3.500   -2.288   -0.660
 ZXD           CAJ    C    CH1       0.000     -0.934    0.046    2.230
 ZXD           HAJ    H    H         0.000     -1.748   -0.349    2.853
 ZXD           OAD    O    OH1       0.000      0.324   -0.381    2.760
 ZXD           HOAD   H    H         0.000      0.422   -0.048    3.663
 ZXD           CAI    C    CH1       0.000     -0.992    1.576    2.221
 ZXD           HAI    H    H         0.000     -0.154    1.972    1.631
 ZXD           OAC    O    OH1       0.000     -0.905    2.066    3.561
 ZXD           HOAC   H    H         0.000     -0.945    3.032    3.554
 ZXD           CAF    C    CH2       0.000     -2.315    2.027    1.597
 ZXD           HAF    H    H         0.000     -2.353    3.118    1.577
 ZXD           HAFA   H    H         0.000     -3.146    1.645    2.194
 ZXD           NAG    N    NH1       0.000     -2.414    1.506    0.227
 ZXD           HNAG   H    H         0.000     -2.478    2.083   -0.599
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
 ZXD      OAE    n/a    CAK    START
 ZXD      HOAE   OAE    .      .
 ZXD      CAK    OAE    CAJ    .
 ZXD      HAK    CAK    .      .
 ZXD      CAL    CAK    CAH    .
 ZXD      HAL    CAL    .      .
 ZXD      CAH    CAL    CAA    .
 ZXD      HAH    CAH    .      .
 ZXD      CAB    CAH    HAB    .
 ZXD      HABB   CAB    .      .
 ZXD      HABA   CAB    .      .
 ZXD      HAB    CAB    .      .
 ZXD      CAA    CAH    HAA    .
 ZXD      HAAB   CAA    .      .
 ZXD      HAAA   CAA    .      .
 ZXD      HAA    CAA    .      .
 ZXD      CAJ    CAK    CAI    .
 ZXD      HAJ    CAJ    .      .
 ZXD      OAD    CAJ    HOAD   .
 ZXD      HOAD   OAD    .      .
 ZXD      CAI    CAJ    CAF    .
 ZXD      HAI    CAI    .      .
 ZXD      OAC    CAI    HOAC   .
 ZXD      HOAC   OAC    .      .
 ZXD      CAF    CAI    NAG    .
 ZXD      HAF    CAF    .      .
 ZXD      HAFA   CAF    .      .
 ZXD      NAG    CAF    HNAG   .
 ZXD      HNAG   NAG    .      END
 ZXD      CAL    NAG    .    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
 ZXD      CAA    CAH       single      1.524    0.020
 ZXD      CAB    CAH       single      1.524    0.020
 ZXD      CAH    CAL       single      1.524    0.020
 ZXD      CAL    NAG       single      1.450    0.020
 ZXD      CAL    CAK       single      1.524    0.020
 ZXD      NAG    CAF       single      1.450    0.020
 ZXD      CAF    CAI       single      1.524    0.020
 ZXD      OAC    CAI       single      1.432    0.020
 ZXD      CAI    CAJ       single      1.524    0.020
 ZXD      OAD    CAJ       single      1.432    0.020
 ZXD      CAJ    CAK       single      1.524    0.020
 ZXD      CAK    OAE       single      1.432    0.020
 ZXD      HAA    CAA       single      1.059    0.020
 ZXD      HAAA   CAA       single      1.059    0.020
 ZXD      HAAB   CAA       single      1.059    0.020
 ZXD      HAH    CAH       single      1.099    0.020
 ZXD      HAB    CAB       single      1.059    0.020
 ZXD      HABA   CAB       single      1.059    0.020
 ZXD      HABB   CAB       single      1.059    0.020
 ZXD      HAL    CAL       single      1.099    0.020
 ZXD      HNAG   NAG       single      1.010    0.020
 ZXD      HAF    CAF       single      1.092    0.020
 ZXD      HAFA   CAF       single      1.092    0.020
 ZXD      HAI    CAI       single      1.099    0.020
 ZXD      HOAC   OAC       single      0.967    0.020
 ZXD      HAJ    CAJ       single      1.099    0.020
 ZXD      HOAD   OAD       single      0.967    0.020
 ZXD      HAK    CAK       single      1.099    0.020
 ZXD      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
 ZXD      HOAE   OAE    CAK     109.470    3.000
 ZXD      OAE    CAK    HAK     109.470    3.000
 ZXD      OAE    CAK    CAL     109.470    3.000
 ZXD      OAE    CAK    CAJ     109.470    3.000
 ZXD      HAK    CAK    CAL     108.340    3.000
 ZXD      HAK    CAK    CAJ     108.340    3.000
 ZXD      CAL    CAK    CAJ     111.000    3.000
 ZXD      CAK    CAL    HAL     108.340    3.000
 ZXD      CAK    CAL    CAH     111.000    3.000
 ZXD      CAK    CAL    NAG     110.000    3.000
 ZXD      HAL    CAL    CAH     108.340    3.000
 ZXD      HAL    CAL    NAG     108.550    3.000
 ZXD      CAH    CAL    NAG     110.000    3.000
 ZXD      CAL    CAH    HAH     108.340    3.000
 ZXD      CAL    CAH    CAB     111.000    3.000
 ZXD      CAL    CAH    CAA     111.000    3.000
 ZXD      HAH    CAH    CAB     108.340    3.000
 ZXD      HAH    CAH    CAA     108.340    3.000
 ZXD      CAB    CAH    CAA     111.000    3.000
 ZXD      CAH    CAB    HABB    109.470    3.000
 ZXD      CAH    CAB    HABA    109.470    3.000
 ZXD      CAH    CAB    HAB     109.470    3.000
 ZXD      HABB   CAB    HABA    109.470    3.000
 ZXD      HABB   CAB    HAB     109.470    3.000
 ZXD      HABA   CAB    HAB     109.470    3.000
 ZXD      CAH    CAA    HAAB    109.470    3.000
 ZXD      CAH    CAA    HAAA    109.470    3.000
 ZXD      CAH    CAA    HAA     109.470    3.000
 ZXD      HAAB   CAA    HAAA    109.470    3.000
 ZXD      HAAB   CAA    HAA     109.470    3.000
 ZXD      HAAA   CAA    HAA     109.470    3.000
 ZXD      CAK    CAJ    HAJ     108.340    3.000
 ZXD      CAK    CAJ    OAD     109.470    3.000
 ZXD      CAK    CAJ    CAI     111.000    3.000
 ZXD      HAJ    CAJ    OAD     109.470    3.000
 ZXD      HAJ    CAJ    CAI     108.340    3.000
 ZXD      OAD    CAJ    CAI     109.470    3.000
 ZXD      CAJ    OAD    HOAD    109.470    3.000
 ZXD      CAJ    CAI    HAI     108.340    3.000
 ZXD      CAJ    CAI    OAC     109.470    3.000
 ZXD      CAJ    CAI    CAF     111.000    3.000
 ZXD      HAI    CAI    OAC     109.470    3.000
 ZXD      HAI    CAI    CAF     108.340    3.000
 ZXD      OAC    CAI    CAF     109.470    3.000
 ZXD      CAI    OAC    HOAC    109.470    3.000
 ZXD      CAI    CAF    HAF     109.470    3.000
 ZXD      CAI    CAF    HAFA    109.470    3.000
 ZXD      CAI    CAF    NAG     110.000    3.000
 ZXD      HAF    CAF    HAFA    107.900    3.000
 ZXD      HAF    CAF    NAG     109.470    3.000
 ZXD      HAFA   CAF    NAG     109.470    3.000
 ZXD      CAF    NAG    HNAG    118.500    3.000
 ZXD      CAF    NAG    CAL     120.000    3.000
 ZXD      HNAG   NAG    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
 ZXD      var_1    HOAE   OAE    CAK    CAJ       60.177   20.000   1
 ZXD      var_2    OAE    CAK    CAL    CAH       60.000   20.000   3
 ZXD      var_3    CAK    CAL    NAG    CAF      -60.000   20.000   3
 ZXD      var_4    CAK    CAL    CAH    CAA       64.271   20.000   3
 ZXD      var_5    CAL    CAH    CAB    HAB      -64.645   20.000   3
 ZXD      var_6    CAL    CAH    CAA    HAA       59.982   20.000   3
 ZXD      var_7    OAE    CAK    CAJ    CAI       60.000   20.000   3
 ZXD      var_8    CAK    CAJ    OAD    HOAD     179.646   20.000   1
 ZXD      var_9    CAK    CAJ    CAI    CAF       60.000   20.000   3
 ZXD      var_10   CAJ    CAI    OAC    HOAC    -179.806   20.000   1
 ZXD      var_11   CAJ    CAI    CAF    NAG      -60.000   20.000   3
 ZXD      var_12   CAI    CAF    NAG    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
 ZXD      chir_01  CAH    CAA    CAB    CAL       negativ
 ZXD      chir_02  CAL    CAH    NAG    CAK       positiv
 ZXD      chir_03  CAI    CAF    OAC    CAJ       negativ
 ZXD      chir_04  CAJ    CAI    OAD    CAK       positiv
 ZXD      chir_05  CAK    CAL    CAJ    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
 ZXD      plan-1    NAG       0.020
 ZXD      plan-1    CAL       0.000
 ZXD      plan-1    CAF       0.000
 ZXD      plan-1    HNAG      0.000
# ------------------------------------------------------
