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
CJZ      CJZ '2-[(3,5-dichloro-4-hydroxyphenyl)ami' non-polymer        27  19 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CJZ
#
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
 CJZ           CLAE   CL   CL        0.000      0.000    0.000    0.000
 CJZ           CAP    C    CR6       0.000     -1.335    1.110    0.033
 CJZ           CAQ    C    CR6       0.000     -1.115    2.452    0.307
 CJZ           CAO    C    CR6       0.000     -2.182    3.338    0.345
 CJZ           CAJ    C    CR16      0.000     -3.466    2.883    0.108
 CJZ           HAJ    H    H         0.000     -4.300    3.573    0.141
 CJZ           CLAD   CL   CL        0.000     -1.905    5.017    0.687
 CJZ           OAC    O    OH1       0.000      0.149    2.900    0.539
 CJZ           HOAC   H    H         0.000      0.343    2.842    1.485
 CJZ           CAK    C    CR16      0.000     -2.616    0.656   -0.213
 CJZ           HAK    H    H         0.000     -2.786   -0.389   -0.439
 CJZ           CAN    C    CR6       0.000     -3.686    1.540   -0.171
 CJZ           NAL    N    NH1       0.000     -4.986    1.079   -0.409
 CJZ           HNAL   H    H         0.000     -5.770    1.709   -0.317
 CJZ           CAR    C    CR6       0.000     -5.198   -0.243   -0.772
 CJZ           CAH    C    CR16      0.000     -5.452   -0.572   -2.098
 CJZ           HAH    H    H         0.000     -5.485    0.205   -2.851
 CJZ           CAF    C    CR16      0.000     -5.662   -1.889   -2.456
 CJZ           HAF    H    H         0.000     -5.864   -2.139   -3.490
 CJZ           CAS    C    CR6       0.000     -5.145   -1.259    0.197
 CJZ           CAM    C    C         0.000     -4.870   -0.925    1.605
 CJZ           OAB    O    OC       -0.500     -4.797    0.272    1.962
 CJZ           OAA    O    OC       -0.500     -4.710   -1.838    2.445
 CJZ           CAI    C    CR16      0.000     -5.360   -2.587   -0.182
 CJZ           HAI    H    H         0.000     -5.324   -3.375    0.560
 CJZ           CAG    C    CR16      0.000     -5.616   -2.892   -1.501
 CJZ           HAG    H    H         0.000     -5.782   -3.921   -1.793
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
 CJZ      CLAE   n/a    CAP    START
 CJZ      CAP    CLAE   CAK    .
 CJZ      CAQ    CAP    OAC    .
 CJZ      CAO    CAQ    CLAD   .
 CJZ      CAJ    CAO    HAJ    .
 CJZ      HAJ    CAJ    .      .
 CJZ      CLAD   CAO    .      .
 CJZ      OAC    CAQ    HOAC   .
 CJZ      HOAC   OAC    .      .
 CJZ      CAK    CAP    CAN    .
 CJZ      HAK    CAK    .      .
 CJZ      CAN    CAK    NAL    .
 CJZ      NAL    CAN    CAR    .
 CJZ      HNAL   NAL    .      .
 CJZ      CAR    NAL    CAS    .
 CJZ      CAH    CAR    CAF    .
 CJZ      HAH    CAH    .      .
 CJZ      CAF    CAH    HAF    .
 CJZ      HAF    CAF    .      .
 CJZ      CAS    CAR    CAI    .
 CJZ      CAM    CAS    OAA    .
 CJZ      OAB    CAM    .      .
 CJZ      OAA    CAM    .      .
 CJZ      CAI    CAS    CAG    .
 CJZ      HAI    CAI    .      .
 CJZ      CAG    CAI    HAG    .
 CJZ      HAG    CAG    .      END
 CJZ      CAF    CAG    .    ADD
 CJZ      CAJ    CAN    .    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
 CJZ      OAA    CAM       deloc       1.250    0.020
 CJZ      OAB    CAM       deloc       1.250    0.020
 CJZ      OAC    CAQ       single      1.362    0.020
 CJZ      HOAC   OAC       single      0.967    0.020
 CJZ      CLAD   CAO       single      1.795    0.020
 CJZ      CAP    CLAE      single      1.795    0.020
 CJZ      CAF    CAG       double      1.390    0.020
 CJZ      CAF    CAH       single      1.390    0.020
 CJZ      HAF    CAF       single      1.083    0.020
 CJZ      CAG    CAI       single      1.390    0.020
 CJZ      HAG    CAG       single      1.083    0.020
 CJZ      CAH    CAR       double      1.390    0.020
 CJZ      HAH    CAH       single      1.083    0.020
 CJZ      CAI    CAS       double      1.390    0.020
 CJZ      HAI    CAI       single      1.083    0.020
 CJZ      CAJ    CAN       double      1.390    0.020
 CJZ      CAJ    CAO       single      1.390    0.020
 CJZ      HAJ    CAJ       single      1.083    0.020
 CJZ      CAN    CAK       single      1.390    0.020
 CJZ      CAK    CAP       double      1.390    0.020
 CJZ      HAK    CAK       single      1.083    0.020
 CJZ      CAR    NAL       single      1.350    0.020
 CJZ      NAL    CAN       single      1.350    0.020
 CJZ      HNAL   NAL       single      1.010    0.020
 CJZ      CAM    CAS       single      1.500    0.020
 CJZ      CAO    CAQ       double      1.487    0.020
 CJZ      CAQ    CAP       single      1.487    0.020
 CJZ      CAS    CAR       single      1.487    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
 CJZ      CLAE   CAP    CAQ     120.000    3.000
 CJZ      CLAE   CAP    CAK     120.000    3.000
 CJZ      CAQ    CAP    CAK     120.000    3.000
 CJZ      CAP    CAQ    CAO     120.000    3.000
 CJZ      CAP    CAQ    OAC     120.000    3.000
 CJZ      CAO    CAQ    OAC     120.000    3.000
 CJZ      CAQ    CAO    CAJ     120.000    3.000
 CJZ      CAQ    CAO    CLAD    120.000    3.000
 CJZ      CAJ    CAO    CLAD    120.000    3.000
 CJZ      CAO    CAJ    HAJ     120.000    3.000
 CJZ      CAO    CAJ    CAN     120.000    3.000
 CJZ      HAJ    CAJ    CAN     120.000    3.000
 CJZ      CAQ    OAC    HOAC    109.470    3.000
 CJZ      CAP    CAK    HAK     120.000    3.000
 CJZ      CAP    CAK    CAN     120.000    3.000
 CJZ      HAK    CAK    CAN     120.000    3.000
 CJZ      CAK    CAN    NAL     120.000    3.000
 CJZ      CAK    CAN    CAJ     120.000    3.000
 CJZ      NAL    CAN    CAJ     120.000    3.000
 CJZ      CAN    NAL    HNAL    120.000    3.000
 CJZ      CAN    NAL    CAR     120.000    3.000
 CJZ      HNAL   NAL    CAR     120.000    3.000
 CJZ      NAL    CAR    CAH     120.000    3.000
 CJZ      NAL    CAR    CAS     120.000    3.000
 CJZ      CAH    CAR    CAS     120.000    3.000
 CJZ      CAR    CAH    HAH     120.000    3.000
 CJZ      CAR    CAH    CAF     120.000    3.000
 CJZ      HAH    CAH    CAF     120.000    3.000
 CJZ      CAH    CAF    HAF     120.000    3.000
 CJZ      CAH    CAF    CAG     120.000    3.000
 CJZ      HAF    CAF    CAG     120.000    3.000
 CJZ      CAR    CAS    CAM     120.000    3.000
 CJZ      CAR    CAS    CAI     120.000    3.000
 CJZ      CAM    CAS    CAI     120.000    3.000
 CJZ      CAS    CAM    OAB     120.000    3.000
 CJZ      CAS    CAM    OAA     120.000    3.000
 CJZ      OAB    CAM    OAA     123.000    3.000
 CJZ      CAS    CAI    HAI     120.000    3.000
 CJZ      CAS    CAI    CAG     120.000    3.000
 CJZ      HAI    CAI    CAG     120.000    3.000
 CJZ      CAI    CAG    HAG     120.000    3.000
 CJZ      CAI    CAG    CAF     120.000    3.000
 CJZ      HAG    CAG    CAF     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
 CJZ      CONST_1  CLAE   CAP    CAQ    OAC        0.000    0.000   0
 CJZ      CONST_2  CAP    CAQ    CAO    CLAD     180.000    0.000   0
 CJZ      CONST_3  CAQ    CAO    CAJ    CAN        0.000    0.000   0
 CJZ      CONST_4  CAO    CAJ    CAN    CAK        0.000    0.000   0
 CJZ      var_1    CAP    CAQ    OAC    HOAC     -89.998   20.000   1
 CJZ      CONST_5  CLAE   CAP    CAK    CAN      180.000    0.000   0
 CJZ      CONST_6  CAP    CAK    CAN    NAL      180.000    0.000   0
 CJZ      var_2    CAK    CAN    NAL    CAR       -4.167   20.000   1
 CJZ      var_3    CAN    NAL    CAR    CAS       77.245   20.000   1
 CJZ      CONST_7  NAL    CAR    CAH    CAF      180.000    0.000   0
 CJZ      CONST_8  CAR    CAH    CAF    CAG        0.000    0.000   0
 CJZ      CONST_9  CAH    CAF    CAG    CAI        0.000    0.000   0
 CJZ      CONST_10 NAL    CAR    CAS    CAI      180.000    0.000   0
 CJZ      var_4    CAR    CAS    CAM    OAA     -173.864   20.000   1
 CJZ      CONST_11 CAR    CAS    CAI    CAG        0.000    0.000   0
 CJZ      CONST_12 CAS    CAI    CAG    CAF        0.000    0.000   0
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
 CJZ      plan-1    CAF       0.020
 CJZ      plan-1    CAG       0.020
 CJZ      plan-1    CAH       0.020
 CJZ      plan-1    HAF       0.020
 CJZ      plan-1    CAI       0.020
 CJZ      plan-1    CAR       0.020
 CJZ      plan-1    CAS       0.020
 CJZ      plan-1    HAG       0.020
 CJZ      plan-1    HAH       0.020
 CJZ      plan-1    HAI       0.020
 CJZ      plan-1    NAL       0.020
 CJZ      plan-1    CAM       0.020
 CJZ      plan-1    HNAL      0.020
 CJZ      plan-2    CAJ       0.020
 CJZ      plan-2    CAN       0.020
 CJZ      plan-2    CAO       0.020
 CJZ      plan-2    HAJ       0.020
 CJZ      plan-2    CAK       0.020
 CJZ      plan-2    CAP       0.020
 CJZ      plan-2    CAQ       0.020
 CJZ      plan-2    HAK       0.020
 CJZ      plan-2    NAL       0.020
 CJZ      plan-2    CLAD      0.020
 CJZ      plan-2    CLAE      0.020
 CJZ      plan-2    OAC       0.020
 CJZ      plan-2    HNAL      0.020
 CJZ      plan-3    NAL       0.020
 CJZ      plan-3    CAN       0.020
 CJZ      plan-3    CAR       0.020
 CJZ      plan-3    HNAL      0.020
 CJZ      plan-4    CAM       0.020
 CJZ      plan-4    OAA       0.020
 CJZ      plan-4    OAB       0.020
 CJZ      plan-4    CAS       0.020
# ------------------------------------------------------
