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
GZC      GZC '"N,N'''-{ethane-1,2-diylbis[nitrilo(' non-polymer        50  28 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GZC
#
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
 GZC           NAV    N    N         0.000      0.000    0.000    0.000
 GZC           HNAV   H    H         0.000      0.762   -0.498    0.311
 GZC           CAK    C    C         0.000     -1.098   -0.608   -0.352
 GZC           NAL    N    NH2       0.000     -2.176    0.123   -0.794
 GZC           HNAD   H    H         0.000     -2.130    1.139   -0.852
 GZC           HNAL   H    H         0.000     -3.041   -0.339   -1.072
 GZC           NAJ    N    NH1       0.000     -1.180   -1.980   -0.281
 GZC           HNAJ   H    H         0.000     -0.361   -2.522   -0.043
 GZC           CAI    C    CR6       0.000     -2.397   -2.624   -0.537
 GZC           CAH    C    CR16      0.000     -2.416   -3.799   -1.281
 GZC           HAH    H    H         0.000     -1.489   -4.212   -1.660
 GZC           CAU    C    CR16      0.000     -3.577   -2.089   -0.051
 GZC           HAU    H    H         0.000     -3.562   -1.172    0.524
 GZC           CAT    C    CR6       0.000     -4.790   -2.736   -0.304
 GZC           CAS    C    CR6       0.000     -4.800   -3.917   -1.060
 GZC           OAR    O    OH1       0.000     -5.975   -4.548   -1.318
 GZC           HOAR   H    H         0.000     -6.159   -5.185   -0.615
 GZC           CAG    C    CR16      0.000     -3.611   -4.440   -1.540
 GZC           HAG    H    H         0.000     -3.618   -5.355   -2.120
 GZC           CBB    C    C1        0.000     -6.051   -2.174    0.210
 GZC           HBB    H    H         0.000     -6.039   -1.266    0.789
 GZC           NBA    N    N         0.000     -7.173   -2.770   -0.035
 GZC           CAZ    C    CH2       0.000     -8.426   -2.211    0.475
 GZC           HAZ    H    H         0.000     -8.208   -1.349    1.109
 GZC           HAZA   H    H         0.000     -8.950   -2.969    1.061
 GZC           CAY    C    CH2       0.000     -9.306   -1.774   -0.699
 GZC           HAY    H    H         0.000     -9.522   -2.637   -1.332
 GZC           HAYA   H    H         0.000     -8.780   -1.017   -1.284
 GZC           NAX    N    N         0.000    -10.560   -1.215   -0.187
 GZC           CAW    C    C1        0.000    -10.836    0.035   -0.378
 GZC           HAW    H    H         0.000    -10.144    0.664   -0.912
 GZC           CAO    C    CR6       0.000    -12.097    0.598    0.136
 GZC           CAP    C    CR6       0.000    -13.000   -0.218    0.833
 GZC           OAQ    O    OH1       0.000    -12.715   -1.529    1.035
 GZC           HOAQ   H    H         0.000    -12.233   -1.629    1.867
 GZC           CAF    C    CR16      0.000    -14.188    0.317    1.308
 GZC           HAF    H    H         0.000    -14.889   -0.313    1.840
 GZC           CAE    C    CR16      0.000    -14.479    1.651    1.102
 GZC           HAE    H    H         0.000    -15.408    2.063    1.477
 GZC           CAN    C    CR16      0.000    -12.399    1.946   -0.069
 GZC           HAN    H    H         0.000    -11.707    2.582   -0.606
 GZC           CAD    C    CR6       0.000    -13.586    2.468    0.418
 GZC           NAC    N    NH1       0.000    -13.891    3.820    0.213
 GZC           HNAC   H    H         0.000    -14.850    4.106    0.072
 GZC           CAB    C    C         0.000    -12.884    4.759    0.206
 GZC           NAM    N    N         0.000    -11.664    4.409    0.502
 GZC           HNAM   H    H         0.000    -10.951    5.054    0.501
 GZC           NAA    N    NH2       0.000    -13.166    6.066   -0.116
 GZC           HNAB   H    H         0.000    -14.114    6.353   -0.350
 GZC           HNAA   H    H         0.000    -12.430    6.771   -0.126
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
 GZC      NAV    n/a    CAK    START
 GZC      HNAV   NAV    .      .
 GZC      CAK    NAV    NAJ    .
 GZC      NAL    CAK    HNAL   .
 GZC      HNAD   NAL    .      .
 GZC      HNAL   NAL    .      .
 GZC      NAJ    CAK    CAI    .
 GZC      HNAJ   NAJ    .      .
 GZC      CAI    NAJ    CAU    .
 GZC      CAH    CAI    HAH    .
 GZC      HAH    CAH    .      .
 GZC      CAU    CAI    CAT    .
 GZC      HAU    CAU    .      .
 GZC      CAT    CAU    CBB    .
 GZC      CAS    CAT    CAG    .
 GZC      OAR    CAS    HOAR   .
 GZC      HOAR   OAR    .      .
 GZC      CAG    CAS    HAG    .
 GZC      HAG    CAG    .      .
 GZC      CBB    CAT    NBA    .
 GZC      HBB    CBB    .      .
 GZC      NBA    CBB    CAZ    .
 GZC      CAZ    NBA    CAY    .
 GZC      HAZ    CAZ    .      .
 GZC      HAZA   CAZ    .      .
 GZC      CAY    CAZ    NAX    .
 GZC      HAY    CAY    .      .
 GZC      HAYA   CAY    .      .
 GZC      NAX    CAY    CAW    .
 GZC      CAW    NAX    CAO    .
 GZC      HAW    CAW    .      .
 GZC      CAO    CAW    CAN    .
 GZC      CAP    CAO    CAF    .
 GZC      OAQ    CAP    HOAQ   .
 GZC      HOAQ   OAQ    .      .
 GZC      CAF    CAP    CAE    .
 GZC      HAF    CAF    .      .
 GZC      CAE    CAF    HAE    .
 GZC      HAE    CAE    .      .
 GZC      CAN    CAO    CAD    .
 GZC      HAN    CAN    .      .
 GZC      CAD    CAN    NAC    .
 GZC      NAC    CAD    CAB    .
 GZC      HNAC   NAC    .      .
 GZC      CAB    NAC    NAA    .
 GZC      NAM    CAB    HNAM   .
 GZC      HNAM   NAM    .      .
 GZC      NAA    CAB    HNAA   .
 GZC      HNAB   NAA    .      .
 GZC      HNAA   NAA    .      END
 GZC      CAD    CAE    .    ADD
 GZC      CAG    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
 GZC      NAL    CAK       single      1.332    0.020
 GZC      CAK    NAV       double      1.260    0.020
 GZC      NAJ    CAK       single      1.330    0.020
 GZC      CAI    NAJ       single      1.350    0.020
 GZC      CAU    CAI       double      1.390    0.020
 GZC      CAH    CAI       single      1.390    0.020
 GZC      CAT    CAU       single      1.390    0.020
 GZC      CAG    CAH       double      1.390    0.020
 GZC      CBB    CAT       single      1.480    0.020
 GZC      CAS    CAT       double      1.487    0.020
 GZC      NBA    CBB       double      1.260    0.020
 GZC      CAG    CAS       single      1.390    0.020
 GZC      OAR    CAS       single      1.362    0.020
 GZC      CAZ    NBA       single      1.455    0.020
 GZC      CAY    CAZ       single      1.524    0.020
 GZC      NAX    CAY       single      1.455    0.020
 GZC      CAW    NAX       double      1.260    0.020
 GZC      OAQ    CAP       single      1.362    0.020
 GZC      CAO    CAW       single      1.480    0.020
 GZC      CAP    CAO       double      1.487    0.020
 GZC      CAF    CAP       single      1.390    0.020
 GZC      CAN    CAO       single      1.390    0.020
 GZC      CAE    CAF       double      1.390    0.020
 GZC      CAD    CAN       double      1.390    0.020
 GZC      CAD    CAE       single      1.390    0.020
 GZC      NAC    CAD       single      1.350    0.020
 GZC      CAB    NAC       single      1.330    0.020
 GZC      NAA    CAB       single      1.332    0.020
 GZC      NAM    CAB       double      1.260    0.020
 GZC      HNAA   NAA       single      1.010    0.020
 GZC      HNAB   NAA       single      1.010    0.020
 GZC      HNAC   NAC       single      1.010    0.020
 GZC      HAE    CAE       single      1.083    0.020
 GZC      HAF    CAF       single      1.083    0.020
 GZC      HAG    CAG       single      1.083    0.020
 GZC      HAH    CAH       single      1.083    0.020
 GZC      HNAJ   NAJ       single      1.010    0.020
 GZC      HNAL   NAL       single      1.010    0.020
 GZC      HNAD   NAL       single      1.010    0.020
 GZC      HNAM   NAM       single      0.954    0.020
 GZC      HAN    CAN       single      1.083    0.020
 GZC      HOAQ   OAQ       single      0.967    0.020
 GZC      HOAR   OAR       single      0.967    0.020
 GZC      HAU    CAU       single      1.083    0.020
 GZC      HNAV   NAV       single      0.954    0.020
 GZC      HAW    CAW       single      1.077    0.020
 GZC      HAY    CAY       single      1.092    0.020
 GZC      HAYA   CAY       single      1.092    0.020
 GZC      HAZ    CAZ       single      1.092    0.020
 GZC      HAZA   CAZ       single      1.092    0.020
 GZC      HBB    CBB       single      1.077    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
 GZC      HNAV   NAV    CAK     120.000    3.000
 GZC      NAV    CAK    NAL     120.000    3.000
 GZC      NAV    CAK    NAJ     120.000    3.000
 GZC      NAL    CAK    NAJ     120.000    3.000
 GZC      CAK    NAL    HNAD    120.000    3.000
 GZC      CAK    NAL    HNAL    120.000    3.000
 GZC      HNAD   NAL    HNAL    120.000    3.000
 GZC      CAK    NAJ    HNAJ    120.000    3.000
 GZC      CAK    NAJ    CAI     120.000    3.000
 GZC      HNAJ   NAJ    CAI     120.000    3.000
 GZC      NAJ    CAI    CAH     120.000    3.000
 GZC      NAJ    CAI    CAU     120.000    3.000
 GZC      CAH    CAI    CAU     120.000    3.000
 GZC      CAI    CAH    HAH     120.000    3.000
 GZC      CAI    CAH    CAG     120.000    3.000
 GZC      HAH    CAH    CAG     120.000    3.000
 GZC      CAI    CAU    HAU     120.000    3.000
 GZC      CAI    CAU    CAT     120.000    3.000
 GZC      HAU    CAU    CAT     120.000    3.000
 GZC      CAU    CAT    CAS     120.000    3.000
 GZC      CAU    CAT    CBB     120.000    3.000
 GZC      CAS    CAT    CBB     120.000    3.000
 GZC      CAT    CAS    OAR     120.000    3.000
 GZC      CAT    CAS    CAG     120.000    3.000
 GZC      OAR    CAS    CAG     120.000    3.000
 GZC      CAS    OAR    HOAR    109.470    3.000
 GZC      CAS    CAG    HAG     120.000    3.000
 GZC      CAS    CAG    CAH     120.000    3.000
 GZC      HAG    CAG    CAH     120.000    3.000
 GZC      CAT    CBB    HBB     120.000    3.000
 GZC      CAT    CBB    NBA     120.000    3.000
 GZC      HBB    CBB    NBA     120.000    3.000
 GZC      CBB    NBA    CAZ     120.000    3.000
 GZC      NBA    CAZ    HAZ     109.470    3.000
 GZC      NBA    CAZ    HAZA    109.470    3.000
 GZC      NBA    CAZ    CAY     105.000    3.000
 GZC      HAZ    CAZ    HAZA    107.900    3.000
 GZC      HAZ    CAZ    CAY     109.470    3.000
 GZC      HAZA   CAZ    CAY     109.470    3.000
 GZC      CAZ    CAY    HAY     109.470    3.000
 GZC      CAZ    CAY    HAYA    109.470    3.000
 GZC      CAZ    CAY    NAX     105.000    3.000
 GZC      HAY    CAY    HAYA    107.900    3.000
 GZC      HAY    CAY    NAX     109.470    3.000
 GZC      HAYA   CAY    NAX     109.470    3.000
 GZC      CAY    NAX    CAW     120.000    3.000
 GZC      NAX    CAW    HAW     120.000    3.000
 GZC      NAX    CAW    CAO     120.000    3.000
 GZC      HAW    CAW    CAO     120.000    3.000
 GZC      CAW    CAO    CAP     120.000    3.000
 GZC      CAW    CAO    CAN     120.000    3.000
 GZC      CAP    CAO    CAN     120.000    3.000
 GZC      CAO    CAP    OAQ     120.000    3.000
 GZC      CAO    CAP    CAF     120.000    3.000
 GZC      OAQ    CAP    CAF     120.000    3.000
 GZC      CAP    OAQ    HOAQ    109.470    3.000
 GZC      CAP    CAF    HAF     120.000    3.000
 GZC      CAP    CAF    CAE     120.000    3.000
 GZC      HAF    CAF    CAE     120.000    3.000
 GZC      CAF    CAE    HAE     120.000    3.000
 GZC      CAF    CAE    CAD     120.000    3.000
 GZC      HAE    CAE    CAD     120.000    3.000
 GZC      CAO    CAN    HAN     120.000    3.000
 GZC      CAO    CAN    CAD     120.000    3.000
 GZC      HAN    CAN    CAD     120.000    3.000
 GZC      CAN    CAD    NAC     120.000    3.000
 GZC      CAN    CAD    CAE     120.000    3.000
 GZC      NAC    CAD    CAE     120.000    3.000
 GZC      CAD    NAC    HNAC    120.000    3.000
 GZC      CAD    NAC    CAB     120.000    3.000
 GZC      HNAC   NAC    CAB     120.000    3.000
 GZC      NAC    CAB    NAM     120.000    3.000
 GZC      NAC    CAB    NAA     120.000    3.000
 GZC      NAM    CAB    NAA     120.000    3.000
 GZC      CAB    NAM    HNAM    120.000    3.000
 GZC      CAB    NAA    HNAB    120.000    3.000
 GZC      CAB    NAA    HNAA    120.000    3.000
 GZC      HNAB   NAA    HNAA    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
 GZC      CONST_1  HNAV   NAV    CAK    NAJ        0.000    0.000   0
 GZC      CONST_2  NAV    CAK    NAL    HNAL     180.000    0.000   0
 GZC      CONST_3  NAV    CAK    NAJ    CAI      180.000    0.000   0
 GZC      var_1    CAK    NAJ    CAI    CAU      -40.997   20.000   1
 GZC      CONST_4  NAJ    CAI    CAH    CAG      180.000    0.000   0
 GZC      CONST_5  NAJ    CAI    CAU    CAT      180.000    0.000   0
 GZC      CONST_6  CAI    CAU    CAT    CBB      180.000    0.000   0
 GZC      CONST_7  CAU    CAT    CAS    CAG        0.000    0.000   0
 GZC      var_2    CAT    CAS    OAR    HOAR     -89.907   20.000   1
 GZC      CONST_8  CAT    CAS    CAG    CAH        0.000    0.000   0
 GZC      CONST_9  CAS    CAG    CAH    CAI        0.000    0.000   0
 GZC      var_3    CAU    CAT    CBB    NBA      179.502   20.000   1
 GZC      CONST_10 CAT    CBB    NBA    CAZ     -179.980    0.000   0
 GZC      var_4    CBB    NBA    CAZ    CAY      114.970   20.000   1
 GZC      var_5    NBA    CAZ    CAY    NAX     -179.999   20.000   3
 GZC      var_6    CAZ    CAY    NAX    CAW      114.976   20.000   1
 GZC      CONST_11 CAY    NAX    CAW    CAO      179.995    0.000   0
 GZC      var_7    NAX    CAW    CAO    CAN     -179.950   20.000   1
 GZC      CONST_12 CAW    CAO    CAP    CAF      180.000    0.000   0
 GZC      var_8    CAO    CAP    OAQ    HOAQ      89.966   20.000   1
 GZC      CONST_13 CAO    CAP    CAF    CAE        0.000    0.000   0
 GZC      CONST_14 CAP    CAF    CAE    CAD        0.000    0.000   0
 GZC      CONST_15 CAW    CAO    CAN    CAD      180.000    0.000   0
 GZC      CONST_16 CAO    CAN    CAD    NAC      180.000    0.000   0
 GZC      CONST_17 CAN    CAD    CAE    CAF        0.000    0.000   0
 GZC      var_9    CAN    CAD    NAC    CAB      -34.132   20.000   1
 GZC      CONST_18 CAD    NAC    CAB    NAA      180.000    0.000   0
 GZC      CONST_19 NAC    CAB    NAM    HNAM     180.000    0.000   0
 GZC      CONST_20 NAC    CAB    NAA    HNAA     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
 GZC      plan-1    NAA       0.020
 GZC      plan-1    CAB       0.020
 GZC      plan-1    HNAA      0.020
 GZC      plan-1    HNAB      0.020
 GZC      plan-2    CAB       0.020
 GZC      plan-2    NAA       0.020
 GZC      plan-2    NAC       0.020
 GZC      plan-2    NAM       0.020
 GZC      plan-2    HNAM      0.020
 GZC      plan-2    HNAB      0.020
 GZC      plan-2    HNAA      0.020
 GZC      plan-2    HNAC      0.020
 GZC      plan-3    NAC       0.020
 GZC      plan-3    CAB       0.020
 GZC      plan-3    CAD       0.020
 GZC      plan-3    HNAC      0.020
 GZC      plan-4    CAD       0.020
 GZC      plan-4    NAC       0.020
 GZC      plan-4    CAE       0.020
 GZC      plan-4    CAN       0.020
 GZC      plan-4    CAF       0.020
 GZC      plan-4    CAO       0.020
 GZC      plan-4    CAP       0.020
 GZC      plan-4    HAE       0.020
 GZC      plan-4    HAF       0.020
 GZC      plan-4    HAN       0.020
 GZC      plan-4    CAW       0.020
 GZC      plan-4    OAQ       0.020
 GZC      plan-4    HNAC      0.020
 GZC      plan-4    HAW       0.020
 GZC      plan-5    CAG       0.020
 GZC      plan-5    CAH       0.020
 GZC      plan-5    CAS       0.020
 GZC      plan-5    HAG       0.020
 GZC      plan-5    CAI       0.020
 GZC      plan-5    CAT       0.020
 GZC      plan-5    CAU       0.020
 GZC      plan-5    HAH       0.020
 GZC      plan-5    NAJ       0.020
 GZC      plan-5    OAR       0.020
 GZC      plan-5    CBB       0.020
 GZC      plan-5    HAU       0.020
 GZC      plan-5    HNAJ      0.020
 GZC      plan-5    HBB       0.020
 GZC      plan-6    NAJ       0.020
 GZC      plan-6    CAI       0.020
 GZC      plan-6    CAK       0.020
 GZC      plan-6    HNAJ      0.020
 GZC      plan-7    CAK       0.020
 GZC      plan-7    NAJ       0.020
 GZC      plan-7    NAL       0.020
 GZC      plan-7    NAV       0.020
 GZC      plan-7    HNAV      0.020
 GZC      plan-7    HNAJ      0.020
 GZC      plan-7    HNAD      0.020
 GZC      plan-7    HNAL      0.020
 GZC      plan-8    NAL       0.020
 GZC      plan-8    CAK       0.020
 GZC      plan-8    HNAL      0.020
 GZC      plan-8    HNAD      0.020
 GZC      plan-9    CAW       0.020
 GZC      plan-9    CAO       0.020
 GZC      plan-9    NAX       0.020
 GZC      plan-9    HAW       0.020
 GZC      plan-9    CAY       0.020
 GZC      plan-10   NBA       0.020
 GZC      plan-10   CAZ       0.020
 GZC      plan-10   CBB       0.020
 GZC      plan-10   CAT       0.020
 GZC      plan-10   HBB       0.020
# ------------------------------------------------------
