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
ZAT      ZAT '4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYL' non-polymer        54  30 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZAT
#
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
 ZAT           OBD    O    O         0.000      0.000    0.000    0.000
 ZAT           CAT    C    C         0.000     -0.654    0.961    0.454
 ZAT           NAF    N    NH1       0.000     -1.140    1.043    1.727
 ZAT           HAF    H    H         0.000     -1.739    1.833    1.921
 ZAT           CAU    C    CR6       0.000     -0.919    0.191    2.769
 ZAT           CAV    C    CR16      0.000     -1.333    0.646    4.024
 ZAT           HAV    H    H         0.000     -1.816    1.612    4.101
 ZAT           CAW    C    CR16      0.000     -1.141   -0.110    5.178
 ZAT           HAW    H    H         0.000     -1.467    0.280    6.134
 ZAT           CAX    C    CR6       0.000     -0.532   -1.367    5.116
 ZAT           CBA    C    C         0.000     -0.358   -2.106    6.323
 ZAT           NAG    N    N         0.000     -0.375   -1.402    7.460
 ZAT           NAH    N    NH1       0.000     -0.206   -1.842    8.608
 ZAT           HAH    H    H         0.000     -0.033   -2.827    8.747
 ZAT           CBC    C    C         0.000     -0.250   -1.013    9.673
 ZAT           NAI    N    NH2       0.000     -0.441    0.293    9.534
 ZAT           HAI2   H    H         0.000     -0.470    0.888   10.349
 ZAT           HAI1   H    H         0.000     -0.558    0.689    8.613
 ZAT           NAJ    N    N         0.000     -0.114   -1.465   10.903
 ZAT           HAJ    H    H         0.000     -0.146   -0.868   11.660
 ZAT           CBB    C    CH3       0.000     -0.106   -3.619    6.380
 ZAT           HBB3   H    H         0.000      0.891   -3.808    6.695
 ZAT           HBB2   H    H         0.000     -0.778   -4.072    7.067
 ZAT           HBB1   H    H         0.000     -0.253   -4.046    5.419
 ZAT           CAY    C    CR16      0.000     -0.106   -1.824    3.853
 ZAT           HAY    H    H         0.000      0.379   -2.789    3.777
 ZAT           CAZ    C    CR16      0.000     -0.292   -1.064    2.695
 ZAT           HAZ    H    H         0.000      0.047   -1.443    1.739
 ZAT           NAE    N    NH1       0.000     -1.008    2.028   -0.294
 ZAT           HAE    H    H         0.000     -1.568    2.729    0.170
 ZAT           CAQ    C    CR6       0.000     -0.704    2.274   -1.582
 ZAT           CAR    C    CR16      0.000     -0.777    3.616   -1.997
 ZAT           HAR    H    H         0.000     -1.066    4.381   -1.286
 ZAT           CAS    C    CR16      0.000     -0.483    3.974   -3.308
 ZAT           HAS    H    H         0.000     -0.554    5.009   -3.618
 ZAT           CAP    C    CR16      0.000     -0.339    1.290   -2.500
 ZAT           HAP    H    H         0.000     -0.277    0.252   -2.195
 ZAT           CAO    C    CR16      0.000     -0.054    1.658   -3.816
 ZAT           HAO    H    H         0.000      0.205    0.893   -4.537
 ZAT           CAN    C    CR6       0.000     -0.096    2.996   -4.220
 ZAT           CAL    C    C         0.000      0.148    3.340   -5.548
 ZAT           CAM    C    CH3       0.000      1.182    2.637   -6.434
 ZAT           HAM3   H    H         0.000      2.147    3.039   -6.251
 ZAT           HAM2   H    H         0.000      1.193    1.597   -6.220
 ZAT           HAM1   H    H         0.000      0.935    2.778   -7.457
 ZAT           NAD    N    N         0.000     -0.699    4.243   -6.036
 ZAT           NAC    N    NH1       0.000     -0.766    4.662   -7.192
 ZAT           HAC    H    H         0.000     -0.132    4.312   -7.897
 ZAT           CAK    C    C         0.000     -1.689    5.588   -7.512
 ZAT           NAB    N    NH2       0.000     -2.546    6.068   -6.603
 ZAT           HAB2   H    H         0.000     -3.230    6.764   -6.868
 ZAT           HAB1   H    H         0.000     -2.511    5.737   -5.648
 ZAT           NAA    N    N         0.000     -1.732    6.058   -8.764
 ZAT           HAA    H    H         0.000     -2.381    6.725   -9.032
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
 ZAT      OBD    n/a    CAT    START
 ZAT      CAT    OBD    NAE    .
 ZAT      NAF    CAT    CAU    .
 ZAT      HAF    NAF    .      .
 ZAT      CAU    NAF    CAV    .
 ZAT      CAV    CAU    CAW    .
 ZAT      HAV    CAV    .      .
 ZAT      CAW    CAV    CAX    .
 ZAT      HAW    CAW    .      .
 ZAT      CAX    CAW    CAY    .
 ZAT      CBA    CAX    CBB    .
 ZAT      NAG    CBA    NAH    .
 ZAT      NAH    NAG    CBC    .
 ZAT      HAH    NAH    .      .
 ZAT      CBC    NAH    NAJ    .
 ZAT      NAI    CBC    HAI1   .
 ZAT      HAI2   NAI    .      .
 ZAT      HAI1   NAI    .      .
 ZAT      NAJ    CBC    HAJ    .
 ZAT      HAJ    NAJ    .      .
 ZAT      CBB    CBA    HBB1   .
 ZAT      HBB3   CBB    .      .
 ZAT      HBB2   CBB    .      .
 ZAT      HBB1   CBB    .      .
 ZAT      CAY    CAX    CAZ    .
 ZAT      HAY    CAY    .      .
 ZAT      CAZ    CAY    HAZ    .
 ZAT      HAZ    CAZ    .      .
 ZAT      NAE    CAT    CAQ    .
 ZAT      HAE    NAE    .      .
 ZAT      CAQ    NAE    CAP    .
 ZAT      CAR    CAQ    CAS    .
 ZAT      HAR    CAR    .      .
 ZAT      CAS    CAR    HAS    .
 ZAT      HAS    CAS    .      .
 ZAT      CAP    CAQ    CAO    .
 ZAT      HAP    CAP    .      .
 ZAT      CAO    CAP    CAN    .
 ZAT      HAO    CAO    .      .
 ZAT      CAN    CAO    CAL    .
 ZAT      CAL    CAN    NAD    .
 ZAT      CAM    CAL    HAM1   .
 ZAT      HAM3   CAM    .      .
 ZAT      HAM2   CAM    .      .
 ZAT      HAM1   CAM    .      .
 ZAT      NAD    CAL    NAC    .
 ZAT      NAC    NAD    CAK    .
 ZAT      HAC    NAC    .      .
 ZAT      CAK    NAC    NAA    .
 ZAT      NAB    CAK    HAB1   .
 ZAT      HAB2   NAB    .      .
 ZAT      HAB1   NAB    .      .
 ZAT      NAA    CAK    HAA    .
 ZAT      HAA    NAA    .      END
 ZAT      CAN    CAS    .    ADD
 ZAT      CAU    CAZ    .    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
 ZAT      NAA    CAK       double      1.260    0.020
 ZAT      NAB    CAK       single      1.332    0.020
 ZAT      CAK    NAC       single      1.330    0.020
 ZAT      NAC    NAD       single      1.320    0.020
 ZAT      NAD    CAL       double      1.260    0.020
 ZAT      CAM    CAL       single      1.500    0.020
 ZAT      CAL    CAN       single      1.500    0.020
 ZAT      CAN    CAS       single      1.390    0.020
 ZAT      CAN    CAO       double      1.390    0.020
 ZAT      CAS    CAR       double      1.390    0.020
 ZAT      CAR    CAQ       single      1.390    0.020
 ZAT      CAO    CAP       single      1.390    0.020
 ZAT      CAP    CAQ       double      1.390    0.020
 ZAT      CAQ    NAE       single      1.350    0.020
 ZAT      NAE    CAT       single      1.330    0.020
 ZAT      CAT    OBD       double      1.220    0.020
 ZAT      NAF    CAT       single      1.330    0.020
 ZAT      CAU    NAF       single      1.350    0.020
 ZAT      CAU    CAZ       single      1.390    0.020
 ZAT      CAV    CAU       double      1.390    0.020
 ZAT      CAZ    CAY       double      1.390    0.020
 ZAT      CAY    CAX       single      1.390    0.020
 ZAT      CAW    CAV       single      1.390    0.020
 ZAT      CAX    CAW       double      1.390    0.020
 ZAT      CBA    CAX       single      1.500    0.020
 ZAT      CBB    CBA       single      1.500    0.020
 ZAT      NAG    CBA       double      1.260    0.020
 ZAT      NAH    NAG       single      1.320    0.020
 ZAT      CBC    NAH       single      1.330    0.020
 ZAT      NAJ    CBC       double      1.260    0.020
 ZAT      NAI    CBC       single      1.332    0.020
 ZAT      HAA    NAA       single      0.954    0.020
 ZAT      HAB1   NAB       single      1.010    0.020
 ZAT      HAB2   NAB       single      1.010    0.020
 ZAT      HAC    NAC       single      1.010    0.020
 ZAT      HAM1   CAM       single      1.059    0.020
 ZAT      HAM2   CAM       single      1.059    0.020
 ZAT      HAM3   CAM       single      1.059    0.020
 ZAT      HAS    CAS       single      1.083    0.020
 ZAT      HAO    CAO       single      1.083    0.020
 ZAT      HAR    CAR       single      1.083    0.020
 ZAT      HAP    CAP       single      1.083    0.020
 ZAT      HAE    NAE       single      1.010    0.020
 ZAT      HAF    NAF       single      1.010    0.020
 ZAT      HAZ    CAZ       single      1.083    0.020
 ZAT      HAV    CAV       single      1.083    0.020
 ZAT      HAY    CAY       single      1.083    0.020
 ZAT      HAW    CAW       single      1.083    0.020
 ZAT      HBB1   CBB       single      1.059    0.020
 ZAT      HBB2   CBB       single      1.059    0.020
 ZAT      HBB3   CBB       single      1.059    0.020
 ZAT      HAH    NAH       single      1.010    0.020
 ZAT      HAJ    NAJ       single      0.954    0.020
 ZAT      HAI1   NAI       single      1.010    0.020
 ZAT      HAI2   NAI       single      1.010    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
 ZAT      OBD    CAT    NAF     123.000    3.000
 ZAT      OBD    CAT    NAE     123.000    3.000
 ZAT      NAF    CAT    NAE     120.000    3.000
 ZAT      CAT    NAF    HAF     120.000    3.000
 ZAT      CAT    NAF    CAU     120.000    3.000
 ZAT      HAF    NAF    CAU     120.000    3.000
 ZAT      NAF    CAU    CAV     120.000    3.000
 ZAT      NAF    CAU    CAZ     120.000    3.000
 ZAT      CAV    CAU    CAZ     120.000    3.000
 ZAT      CAU    CAV    HAV     120.000    3.000
 ZAT      CAU    CAV    CAW     120.000    3.000
 ZAT      HAV    CAV    CAW     120.000    3.000
 ZAT      CAV    CAW    HAW     120.000    3.000
 ZAT      CAV    CAW    CAX     120.000    3.000
 ZAT      HAW    CAW    CAX     120.000    3.000
 ZAT      CAW    CAX    CBA     120.000    3.000
 ZAT      CAW    CAX    CAY     120.000    3.000
 ZAT      CBA    CAX    CAY     120.000    3.000
 ZAT      CAX    CBA    NAG     120.000    3.000
 ZAT      CAX    CBA    CBB     120.000    3.000
 ZAT      NAG    CBA    CBB     116.500    3.000
 ZAT      CBA    NAG    NAH     120.000    3.000
 ZAT      NAG    NAH    HAH     120.000    3.000
 ZAT      NAG    NAH    CBC     120.000    3.000
 ZAT      HAH    NAH    CBC     120.000    3.000
 ZAT      NAH    CBC    NAI     120.000    3.000
 ZAT      NAH    CBC    NAJ     120.000    3.000
 ZAT      NAI    CBC    NAJ     120.000    3.000
 ZAT      CBC    NAI    HAI2    120.000    3.000
 ZAT      CBC    NAI    HAI1    120.000    3.000
 ZAT      HAI2   NAI    HAI1    120.000    3.000
 ZAT      CBC    NAJ    HAJ     120.000    3.000
 ZAT      CBA    CBB    HBB3    109.470    3.000
 ZAT      CBA    CBB    HBB2    109.470    3.000
 ZAT      CBA    CBB    HBB1    109.470    3.000
 ZAT      HBB3   CBB    HBB2    109.470    3.000
 ZAT      HBB3   CBB    HBB1    109.470    3.000
 ZAT      HBB2   CBB    HBB1    109.470    3.000
 ZAT      CAX    CAY    HAY     120.000    3.000
 ZAT      CAX    CAY    CAZ     120.000    3.000
 ZAT      HAY    CAY    CAZ     120.000    3.000
 ZAT      CAY    CAZ    HAZ     120.000    3.000
 ZAT      CAY    CAZ    CAU     120.000    3.000
 ZAT      HAZ    CAZ    CAU     120.000    3.000
 ZAT      CAT    NAE    HAE     120.000    3.000
 ZAT      CAT    NAE    CAQ     120.000    3.000
 ZAT      HAE    NAE    CAQ     120.000    3.000
 ZAT      NAE    CAQ    CAR     120.000    3.000
 ZAT      NAE    CAQ    CAP     120.000    3.000
 ZAT      CAR    CAQ    CAP     120.000    3.000
 ZAT      CAQ    CAR    HAR     120.000    3.000
 ZAT      CAQ    CAR    CAS     120.000    3.000
 ZAT      HAR    CAR    CAS     120.000    3.000
 ZAT      CAR    CAS    HAS     120.000    3.000
 ZAT      CAR    CAS    CAN     120.000    3.000
 ZAT      HAS    CAS    CAN     120.000    3.000
 ZAT      CAQ    CAP    HAP     120.000    3.000
 ZAT      CAQ    CAP    CAO     120.000    3.000
 ZAT      HAP    CAP    CAO     120.000    3.000
 ZAT      CAP    CAO    HAO     120.000    3.000
 ZAT      CAP    CAO    CAN     120.000    3.000
 ZAT      HAO    CAO    CAN     120.000    3.000
 ZAT      CAO    CAN    CAL     120.000    3.000
 ZAT      CAO    CAN    CAS     120.000    3.000
 ZAT      CAL    CAN    CAS     120.000    3.000
 ZAT      CAN    CAL    CAM     120.000    3.000
 ZAT      CAN    CAL    NAD     120.000    3.000
 ZAT      CAM    CAL    NAD     116.500    3.000
 ZAT      CAL    CAM    HAM3    109.470    3.000
 ZAT      CAL    CAM    HAM2    109.470    3.000
 ZAT      CAL    CAM    HAM1    109.470    3.000
 ZAT      HAM3   CAM    HAM2    109.470    3.000
 ZAT      HAM3   CAM    HAM1    109.470    3.000
 ZAT      HAM2   CAM    HAM1    109.470    3.000
 ZAT      CAL    NAD    NAC     120.000    3.000
 ZAT      NAD    NAC    HAC     120.000    3.000
 ZAT      NAD    NAC    CAK     120.000    3.000
 ZAT      HAC    NAC    CAK     120.000    3.000
 ZAT      NAC    CAK    NAB     120.000    3.000
 ZAT      NAC    CAK    NAA     120.000    3.000
 ZAT      NAB    CAK    NAA     120.000    3.000
 ZAT      CAK    NAB    HAB2    120.000    3.000
 ZAT      CAK    NAB    HAB1    120.000    3.000
 ZAT      HAB2   NAB    HAB1    120.000    3.000
 ZAT      CAK    NAA    HAA     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
 ZAT      CONST_1  OBD    CAT    NAF    CAU        0.000    0.000   0
 ZAT      var_1    CAT    NAF    CAU    CAV      168.372   20.000   1
 ZAT      CONST_2  NAF    CAU    CAZ    CAY      180.000    0.000   0
 ZAT      CONST_3  NAF    CAU    CAV    CAW      180.000    0.000   0
 ZAT      CONST_4  CAU    CAV    CAW    CAX        0.000    0.000   0
 ZAT      CONST_5  CAV    CAW    CAX    CAY        0.000    0.000   0
 ZAT      var_2    CAW    CAX    CBA    CBB      161.036   20.000   1
 ZAT      CONST_6  CAX    CBA    NAG    NAH      180.000    0.000   0
 ZAT      var_3    CBA    NAG    NAH    CBC     -179.978   20.000   1
 ZAT      CONST_7  NAG    NAH    CBC    NAJ      180.000    0.000   0
 ZAT      CONST_8  NAH    CBC    NAI    HAI1       0.000    0.000   0
 ZAT      CONST_9  NAH    CBC    NAJ    HAJ      180.000    0.000   0
 ZAT      var_4    CAX    CBA    CBB    HBB1      -9.987   20.000   1
 ZAT      CONST_10 CAW    CAX    CAY    CAZ        0.000    0.000   0
 ZAT      CONST_11 CAX    CAY    CAZ    CAU        0.000    0.000   0
 ZAT      CONST_12 OBD    CAT    NAE    CAQ        0.000    0.000   0
 ZAT      var_5    CAT    NAE    CAQ    CAP       21.748   20.000   1
 ZAT      CONST_13 NAE    CAQ    CAR    CAS      180.000    0.000   0
 ZAT      CONST_14 CAQ    CAR    CAS    CAN        0.000    0.000   0
 ZAT      CONST_15 NAE    CAQ    CAP    CAO      180.000    0.000   0
 ZAT      CONST_16 CAQ    CAP    CAO    CAN        0.000    0.000   0
 ZAT      CONST_17 CAP    CAO    CAN    CAL      180.000    0.000   0
 ZAT      CONST_18 CAO    CAN    CAS    CAR        0.000    0.000   0
 ZAT      var_6    CAO    CAN    CAL    NAD      136.228   20.000   1
 ZAT      var_7    CAN    CAL    CAM    HAM1     157.360   20.000   1
 ZAT      CONST_19 CAN    CAL    NAD    NAC      180.000    0.000   0
 ZAT      var_8    CAL    NAD    NAC    CAK     -179.703   20.000   1
 ZAT      CONST_20 NAD    NAC    CAK    NAA      180.000    0.000   0
 ZAT      CONST_21 NAC    CAK    NAB    HAB1       0.000    0.000   0
 ZAT      CONST_22 NAC    CAK    NAA    HAA      180.000    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
 ZAT      plan-1    NAA       0.020
 ZAT      plan-1    CAK       0.020
 ZAT      plan-1    HAA       0.020
 ZAT      plan-1    NAB       0.020
 ZAT      plan-1    NAC       0.020
 ZAT      plan-1    HAB2      0.020
 ZAT      plan-1    HAB1      0.020
 ZAT      plan-1    HAC       0.020
 ZAT      plan-2    NAB       0.020
 ZAT      plan-2    CAK       0.020
 ZAT      plan-2    HAB1      0.020
 ZAT      plan-2    HAB2      0.020
 ZAT      plan-3    NAC       0.020
 ZAT      plan-3    CAK       0.020
 ZAT      plan-3    NAD       0.020
 ZAT      plan-3    HAC       0.020
 ZAT      plan-4    NAD       0.020
 ZAT      plan-4    NAC       0.020
 ZAT      plan-4    CAL       0.020
 ZAT      plan-4    CAM       0.020
 ZAT      plan-4    CAN       0.020
 ZAT      plan-4    HAC       0.020
 ZAT      plan-5    CAN       0.020
 ZAT      plan-5    CAL       0.020
 ZAT      plan-5    CAS       0.020
 ZAT      plan-5    CAO       0.020
 ZAT      plan-5    CAR       0.020
 ZAT      plan-5    CAP       0.020
 ZAT      plan-5    CAQ       0.020
 ZAT      plan-5    HAS       0.020
 ZAT      plan-5    HAR       0.020
 ZAT      plan-5    HAO       0.020
 ZAT      plan-5    HAP       0.020
 ZAT      plan-5    NAE       0.020
 ZAT      plan-5    HAE       0.020
 ZAT      plan-6    NAE       0.020
 ZAT      plan-6    CAQ       0.020
 ZAT      plan-6    CAT       0.020
 ZAT      plan-6    HAE       0.020
 ZAT      plan-7    CAT       0.020
 ZAT      plan-7    NAE       0.020
 ZAT      plan-7    OBD       0.020
 ZAT      plan-7    NAF       0.020
 ZAT      plan-7    HAE       0.020
 ZAT      plan-7    HAF       0.020
 ZAT      plan-8    NAF       0.020
 ZAT      plan-8    CAT       0.020
 ZAT      plan-8    CAU       0.020
 ZAT      plan-8    HAF       0.020
 ZAT      plan-9    CAU       0.020
 ZAT      plan-9    NAF       0.020
 ZAT      plan-9    CAZ       0.020
 ZAT      plan-9    CAV       0.020
 ZAT      plan-9    CAY       0.020
 ZAT      plan-9    CAW       0.020
 ZAT      plan-9    CAX       0.020
 ZAT      plan-9    HAZ       0.020
 ZAT      plan-9    HAY       0.020
 ZAT      plan-9    HAV       0.020
 ZAT      plan-9    HAW       0.020
 ZAT      plan-9    CBA       0.020
 ZAT      plan-9    HAF       0.020
 ZAT      plan-10   CBA       0.020
 ZAT      plan-10   CAX       0.020
 ZAT      plan-10   CBB       0.020
 ZAT      plan-10   NAG       0.020
 ZAT      plan-10   NAH       0.020
 ZAT      plan-10   HAH       0.020
 ZAT      plan-11   NAH       0.020
 ZAT      plan-11   NAG       0.020
 ZAT      plan-11   CBC       0.020
 ZAT      plan-11   HAH       0.020
 ZAT      plan-12   CBC       0.020
 ZAT      plan-12   NAH       0.020
 ZAT      plan-12   NAJ       0.020
 ZAT      plan-12   NAI       0.020
 ZAT      plan-12   HAJ       0.020
 ZAT      plan-12   HAH       0.020
 ZAT      plan-12   HAI2      0.020
 ZAT      plan-12   HAI1      0.020
 ZAT      plan-13   NAI       0.020
 ZAT      plan-13   CBC       0.020
 ZAT      plan-13   HAI1      0.020
 ZAT      plan-13   HAI2      0.020
# ------------------------------------------------------
