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
EOZ      EOZ '3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZO' non-polymer        38  25 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_EOZ
#
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
 EOZ           OAJ    O    O         0.000      0.000    0.000    0.000
 EOZ           PAY    P    P         0.000      0.668    1.282   -0.317
 EOZ           OAI    O    OH1       0.000      2.082    0.990   -1.027
 EOZ           HAI    H    H         0.000      2.761    0.483   -0.562
 EOZ           OAE    O    OH1       0.000      0.909    2.112    1.041
 EOZ           HAE    H    H         0.000      1.338    2.978    1.009
 EOZ           CAO    C    CH2       0.000     -0.387    2.254   -1.443
 EOZ           HAO1   H    H         0.000     -0.477    1.732   -2.398
 EOZ           HAO2   H    H         0.000      0.064    3.235   -1.608
 EOZ           CAT    C    C         0.000     -1.754    2.423   -0.830
 EOZ           OAC    O    O         0.000     -1.936    3.267    0.021
 EOZ           NAQ    N    NH1       0.000     -2.773    1.635   -1.229
 EOZ           HAQ    H    H         0.000     -2.604    0.879   -1.876
 EOZ           CAV    C    CR6       0.000     -4.066    1.867   -0.745
 EOZ           CAK    C    CR16      0.000     -4.901    0.795   -0.460
 EOZ           HAK    H    H         0.000     -4.551   -0.218   -0.611
 EOZ           CAM    C    CR16      0.000     -4.512    3.166   -0.556
 EOZ           HAM    H    H         0.000     -3.863    4.002   -0.786
 EOZ           CAW    C    CR6       0.000     -5.800    3.395   -0.070
 EOZ           CAR    C    C         0.000     -6.278    4.778    0.137
 EOZ           OAF    O    OC       -0.500     -7.435    4.982    0.569
 EOZ           OAA    O    OC       -0.500     -5.527    5.745   -0.119
 EOZ           CAL    C    CR16      0.000     -6.637    2.316    0.216
 EOZ           HAL    H    H         0.000     -7.638    2.490    0.590
 EOZ           CAU    C    CR6       0.000     -6.185    1.020    0.020
 EOZ           NAP    N    NH1       0.000     -7.024   -0.064    0.306
 EOZ           HAP    H    H         0.000     -7.638   -0.029    1.107
 EOZ           CAS    C    C         0.000     -7.012   -1.153   -0.488
 EOZ           OAB    O    O         0.000     -6.353   -1.154   -1.506
 EOZ           CAN    C    CH2       0.000     -7.819   -2.368   -0.111
 EOZ           HAN1   H    H         0.000     -8.281   -2.790   -1.006
 EOZ           HAN2   H    H         0.000     -8.598   -2.082    0.599
 EOZ           PAX    P    P         0.000     -6.725   -3.610    0.653
 EOZ           OAG    O    O         0.000     -6.008   -3.001    1.795
 EOZ           OAH    O    OH1       0.000     -7.605   -4.853    1.174
 EOZ           HAH    H    H         0.000     -7.175   -5.603    1.607
 EOZ           OAD    O    OH1       0.000     -5.658   -4.128   -0.436
 EOZ           HAD    H    H         0.000     -5.963   -4.555   -1.248
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
 EOZ      OAJ    n/a    PAY    START
 EOZ      PAY    OAJ    CAO    .
 EOZ      OAI    PAY    HAI    .
 EOZ      HAI    OAI    .      .
 EOZ      OAE    PAY    HAE    .
 EOZ      HAE    OAE    .      .
 EOZ      CAO    PAY    CAT    .
 EOZ      HAO1   CAO    .      .
 EOZ      HAO2   CAO    .      .
 EOZ      CAT    CAO    NAQ    .
 EOZ      OAC    CAT    .      .
 EOZ      NAQ    CAT    CAV    .
 EOZ      HAQ    NAQ    .      .
 EOZ      CAV    NAQ    CAM    .
 EOZ      CAK    CAV    HAK    .
 EOZ      HAK    CAK    .      .
 EOZ      CAM    CAV    CAW    .
 EOZ      HAM    CAM    .      .
 EOZ      CAW    CAM    CAL    .
 EOZ      CAR    CAW    OAA    .
 EOZ      OAF    CAR    .      .
 EOZ      OAA    CAR    .      .
 EOZ      CAL    CAW    CAU    .
 EOZ      HAL    CAL    .      .
 EOZ      CAU    CAL    NAP    .
 EOZ      NAP    CAU    CAS    .
 EOZ      HAP    NAP    .      .
 EOZ      CAS    NAP    CAN    .
 EOZ      OAB    CAS    .      .
 EOZ      CAN    CAS    PAX    .
 EOZ      HAN1   CAN    .      .
 EOZ      HAN2   CAN    .      .
 EOZ      PAX    CAN    OAD    .
 EOZ      OAG    PAX    .      .
 EOZ      OAH    PAX    HAH    .
 EOZ      HAH    OAH    .      .
 EOZ      OAD    PAX    HAD    .
 EOZ      HAD    OAD    .      END
 EOZ      CAU    CAK    .    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
 EOZ      OAD    PAX       single      1.610    0.020
 EOZ      HAD    OAD       single      0.967    0.020
 EOZ      OAH    PAX       single      1.610    0.020
 EOZ      OAG    PAX       double      1.480    0.020
 EOZ      PAX    CAN       single      1.812    0.020
 EOZ      HAH    OAH       single      0.967    0.020
 EOZ      CAN    CAS       single      1.510    0.020
 EOZ      HAN1   CAN       single      1.092    0.020
 EOZ      HAN2   CAN       single      1.092    0.020
 EOZ      OAB    CAS       double      1.220    0.020
 EOZ      CAS    NAP       single      1.330    0.020
 EOZ      NAP    CAU       single      1.350    0.020
 EOZ      HAP    NAP       single      1.010    0.020
 EOZ      CAU    CAK       double      1.390    0.020
 EOZ      CAU    CAL       single      1.390    0.020
 EOZ      CAK    CAV       single      1.390    0.020
 EOZ      HAK    CAK       single      1.083    0.020
 EOZ      CAL    CAW       double      1.390    0.020
 EOZ      HAL    CAL       single      1.083    0.020
 EOZ      CAR    CAW       single      1.500    0.020
 EOZ      CAW    CAM       single      1.390    0.020
 EOZ      OAA    CAR       deloc       1.250    0.020
 EOZ      OAF    CAR       deloc       1.250    0.020
 EOZ      CAM    CAV       double      1.390    0.020
 EOZ      HAM    CAM       single      1.083    0.020
 EOZ      CAV    NAQ       single      1.350    0.020
 EOZ      NAQ    CAT       single      1.330    0.020
 EOZ      HAQ    NAQ       single      1.010    0.020
 EOZ      OAC    CAT       double      1.220    0.020
 EOZ      CAT    CAO       single      1.510    0.020
 EOZ      CAO    PAY       single      1.812    0.020
 EOZ      HAO1   CAO       single      1.092    0.020
 EOZ      HAO2   CAO       single      1.092    0.020
 EOZ      OAI    PAY       single      1.610    0.020
 EOZ      OAE    PAY       single      1.610    0.020
 EOZ      PAY    OAJ       double      1.480    0.020
 EOZ      HAI    OAI       single      0.967    0.020
 EOZ      HAE    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
 EOZ      OAJ    PAY    OAI     109.500    3.000
 EOZ      OAJ    PAY    OAE     109.500    3.000
 EOZ      OAJ    PAY    CAO     109.500    3.000
 EOZ      OAI    PAY    OAE     109.500    3.000
 EOZ      OAI    PAY    CAO     109.500    3.000
 EOZ      OAE    PAY    CAO     109.500    3.000
 EOZ      PAY    OAI    HAI     120.000    3.000
 EOZ      PAY    OAE    HAE     120.000    3.000
 EOZ      PAY    CAO    HAO1    109.500    3.000
 EOZ      PAY    CAO    HAO2    109.500    3.000
 EOZ      PAY    CAO    CAT     109.500    3.000
 EOZ      HAO1   CAO    HAO2    107.900    3.000
 EOZ      HAO1   CAO    CAT     109.470    3.000
 EOZ      HAO2   CAO    CAT     109.470    3.000
 EOZ      CAO    CAT    OAC     120.500    3.000
 EOZ      CAO    CAT    NAQ     116.500    3.000
 EOZ      OAC    CAT    NAQ     123.000    3.000
 EOZ      CAT    NAQ    HAQ     120.000    3.000
 EOZ      CAT    NAQ    CAV     120.000    3.000
 EOZ      HAQ    NAQ    CAV     120.000    3.000
 EOZ      NAQ    CAV    CAK     120.000    3.000
 EOZ      NAQ    CAV    CAM     120.000    3.000
 EOZ      CAK    CAV    CAM     120.000    3.000
 EOZ      CAV    CAK    HAK     120.000    3.000
 EOZ      CAV    CAK    CAU     120.000    3.000
 EOZ      HAK    CAK    CAU     120.000    3.000
 EOZ      CAV    CAM    HAM     120.000    3.000
 EOZ      CAV    CAM    CAW     120.000    3.000
 EOZ      HAM    CAM    CAW     120.000    3.000
 EOZ      CAM    CAW    CAR     120.000    3.000
 EOZ      CAM    CAW    CAL     120.000    3.000
 EOZ      CAR    CAW    CAL     120.000    3.000
 EOZ      CAW    CAR    OAF     120.000    3.000
 EOZ      CAW    CAR    OAA     120.000    3.000
 EOZ      OAF    CAR    OAA     123.000    3.000
 EOZ      CAW    CAL    HAL     120.000    3.000
 EOZ      CAW    CAL    CAU     120.000    3.000
 EOZ      HAL    CAL    CAU     120.000    3.000
 EOZ      CAL    CAU    NAP     120.000    3.000
 EOZ      CAL    CAU    CAK     120.000    3.000
 EOZ      NAP    CAU    CAK     120.000    3.000
 EOZ      CAU    NAP    HAP     120.000    3.000
 EOZ      CAU    NAP    CAS     120.000    3.000
 EOZ      HAP    NAP    CAS     120.000    3.000
 EOZ      NAP    CAS    OAB     123.000    3.000
 EOZ      NAP    CAS    CAN     116.500    3.000
 EOZ      OAB    CAS    CAN     120.500    3.000
 EOZ      CAS    CAN    HAN1    109.470    3.000
 EOZ      CAS    CAN    HAN2    109.470    3.000
 EOZ      CAS    CAN    PAX     109.500    3.000
 EOZ      HAN1   CAN    HAN2    107.900    3.000
 EOZ      HAN1   CAN    PAX     109.500    3.000
 EOZ      HAN2   CAN    PAX     109.500    3.000
 EOZ      CAN    PAX    OAG     109.500    3.000
 EOZ      CAN    PAX    OAH     109.500    3.000
 EOZ      CAN    PAX    OAD     109.500    3.000
 EOZ      OAG    PAX    OAH     109.500    3.000
 EOZ      OAG    PAX    OAD     109.500    3.000
 EOZ      OAH    PAX    OAD     109.500    3.000
 EOZ      PAX    OAH    HAH     120.000    3.000
 EOZ      PAX    OAD    HAD     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
 EOZ      var_1    OAJ    PAY    OAI    HAI      -60.034   20.000   1
 EOZ      var_2    OAJ    PAY    OAE    HAE     -179.976   20.000   1
 EOZ      var_3    OAJ    PAY    CAO    CAT       55.005   20.000   1
 EOZ      var_4    PAY    CAO    CAT    NAQ      -99.998   20.000   3
 EOZ      CONST_1  CAO    CAT    NAQ    CAV      180.000    0.000   0
 EOZ      var_5    CAT    NAQ    CAV    CAM       37.720   20.000   1
 EOZ      CONST_2  NAQ    CAV    CAK    CAU      180.000    0.000   0
 EOZ      CONST_3  NAQ    CAV    CAM    CAW      180.000    0.000   0
 EOZ      CONST_4  CAV    CAM    CAW    CAL        0.000    0.000   0
 EOZ      var_6    CAM    CAW    CAR    OAA       -0.261   20.000   1
 EOZ      CONST_5  CAM    CAW    CAL    CAU        0.000    0.000   0
 EOZ      CONST_6  CAW    CAL    CAU    NAP      180.000    0.000   0
 EOZ      CONST_7  CAL    CAU    CAK    CAV        0.000    0.000   0
 EOZ      var_7    CAL    CAU    NAP    CAS      142.067   20.000   1
 EOZ      CONST_8  CAU    NAP    CAS    CAN      180.000    0.000   0
 EOZ      var_8    NAP    CAS    CAN    PAX     -100.022   20.000   3
 EOZ      var_9    CAS    CAN    PAX    OAD      -65.001   20.000   1
 EOZ      var_10   CAN    PAX    OAH    HAH     -179.990   20.000   1
 EOZ      var_11   CAN    PAX    OAD    HAD      -60.056   20.000   1
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
 EOZ      plan-1    CAS       0.020
 EOZ      plan-1    CAN       0.020
 EOZ      plan-1    OAB       0.020
 EOZ      plan-1    NAP       0.020
 EOZ      plan-1    HAP       0.020
 EOZ      plan-2    NAP       0.020
 EOZ      plan-2    CAS       0.020
 EOZ      plan-2    CAU       0.020
 EOZ      plan-2    HAP       0.020
 EOZ      plan-3    CAU       0.020
 EOZ      plan-3    NAP       0.020
 EOZ      plan-3    CAK       0.020
 EOZ      plan-3    CAL       0.020
 EOZ      plan-3    CAW       0.020
 EOZ      plan-3    CAM       0.020
 EOZ      plan-3    CAV       0.020
 EOZ      plan-3    HAK       0.020
 EOZ      plan-3    HAL       0.020
 EOZ      plan-3    CAR       0.020
 EOZ      plan-3    HAM       0.020
 EOZ      plan-3    NAQ       0.020
 EOZ      plan-3    HAP       0.020
 EOZ      plan-3    HAQ       0.020
 EOZ      plan-4    CAR       0.020
 EOZ      plan-4    CAW       0.020
 EOZ      plan-4    OAA       0.020
 EOZ      plan-4    OAF       0.020
 EOZ      plan-5    NAQ       0.020
 EOZ      plan-5    CAV       0.020
 EOZ      plan-5    CAT       0.020
 EOZ      plan-5    HAQ       0.020
 EOZ      plan-6    CAT       0.020
 EOZ      plan-6    NAQ       0.020
 EOZ      plan-6    OAC       0.020
 EOZ      plan-6    CAO       0.020
 EOZ      plan-6    HAQ       0.020
# ------------------------------------------------------
