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
ZNH      ZNH 'PROTOPORPHYRIN IX CONTAINING ZN     ' non-polymer        73  43 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZNH
#
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
 ZNH           O2D    O    OC       -0.500      0.000    0.000    0.000
 ZNH           CGD    C    C         0.000     -1.215   -0.146   -0.258
 ZNH           O1D    O    OC       -0.500     -1.644   -0.306   -1.422
 ZNH           CBD    C    CH2       0.000     -2.186   -0.119    0.913
 ZNH           HBD1   H    H         0.000     -2.012    0.814    1.453
 ZNH           HBD2   H    H         0.000     -1.935   -0.964    1.558
 ZNH           CAD    C    CH2       0.000     -3.654   -0.206    0.507
 ZNH           HAD1   H    H         0.000     -3.897   -1.206    0.143
 ZNH           HAD2   H    H         0.000     -3.887    0.528   -0.268
 ZNH           C3D    C    CR5       0.000     -4.470    0.094    1.754
 ZNH           C2D    C    CR5       0.000     -4.896    1.322    2.184
 ZNH           CMD    C    CH3       0.000     -4.766    2.667    1.476
 ZNH           HMD3   H    H         0.000     -5.729    3.075    1.303
 ZNH           HMD2   H    H         0.000     -4.206    3.335    2.079
 ZNH           HMD1   H    H         0.000     -4.270    2.535    0.547
 ZNH           C1D    C    CR5       0.000     -5.509    1.113    3.456
 ZNH           CHD    C    C1        0.000     -5.975    2.122    4.322
 ZNH           HHD    H    H         0.000     -5.955    3.123    3.925
 ZNH           C4D    C    CR5       0.000     -4.845   -0.852    2.754
 ZNH           CHA    C    C1        0.000     -4.625   -2.229    2.710
 ZNH           HHA    H    H         0.000     -4.093   -2.586    1.845
 ZNH           ND     N    NR5       0.000     -5.479   -0.213    3.781
 ZNH           ZN     ZN   ZN        0.000     -6.191   -1.076    5.512
 ZNH           NB     N    NR5       0.000     -6.881   -1.915    7.229
 ZNH           C4B    C    CR5       0.000     -7.921   -2.803    7.367
 ZNH           C3B    C    CR5       0.000     -8.011   -3.271    8.752
 ZNH           CAB    C    C1        0.000     -9.002   -4.086    9.269
 ZNH           HAB    H    H         0.000     -9.072   -5.113    8.951
 ZNH           CBB    C    C2        0.000     -9.906   -3.586   10.194
 ZNH           HBB2   H    H         0.000    -10.694   -4.214   10.611
 ZNH           HBB1   H    H         0.000     -9.855   -2.550   10.530
 ZNH           C2B    C    CR5       0.000     -6.984   -2.667    9.429
 ZNH           CMB    C    CH3       0.000     -6.518   -2.905   10.864
 ZNH           HMB3   H    H         0.000     -5.542   -3.321   10.859
 ZNH           HMB2   H    H         0.000     -6.504   -1.986   11.393
 ZNH           HMB1   H    H         0.000     -7.181   -3.577   11.349
 ZNH           C1B    C    CR5       0.000     -6.314   -1.805    8.476
 ZNH           CHB    C    C1        0.000     -5.272   -0.938    8.789
 ZNH           HHB    H    H         0.000     -4.749   -0.177    9.344
 ZNH           NC     N    NR5       0.000     -6.557    0.798    6.281
 ZNH           C4C    C    CR5       0.000     -6.460    1.999    5.626
 ZNH           C3C    C    CR5       0.000     -6.925    3.079    6.482
 ZNH           CAC    C    C1        0.000     -7.015    4.425    6.100
 ZNH           HAC    H    H         0.000     -7.535    4.652    5.184
 ZNH           CBC    C    C2        0.000     -6.482    5.484    6.819
 ZNH           HBC2   H    H         0.000     -6.584    6.512    6.470
 ZNH           HBC1   H    H         0.000     -5.946    5.319    7.754
 ZNH           C2C    C    CR5       0.000     -7.287    2.502    7.671
 ZNH           CMC    C    CH3       0.000     -7.807    3.156    8.946
 ZNH           HMC3   H    H         0.000     -8.766    2.768    9.181
 ZNH           HMC2   H    H         0.000     -7.143    2.956    9.747
 ZNH           HMC1   H    H         0.000     -7.880    4.205    8.805
 ZNH           C1C    C    CR5       0.000     -7.071    1.082    7.525
 ZNH           CHC    C    C1        0.000     -7.455    0.120    8.475
 ZNH           HHC    H    H         0.000     -7.583    0.364    9.516
 ZNH           NA     N    NR5       0.000     -5.685   -2.918    4.780
 ZNH           C4A    C    CR5       0.000     -5.947   -4.114    5.389
 ZNH           C3A    C    CR5       0.000     -5.394   -5.195    4.599
 ZNH           CMA    C    CH3       0.000     -5.475   -6.682    4.917
 ZNH           HMA3   H    H         0.000     -5.984   -7.187    4.137
 ZNH           HMA2   H    H         0.000     -4.496   -7.081    5.012
 ZNH           HMA1   H    H         0.000     -6.000   -6.824    5.827
 ZNH           C2A    C    CR5       0.000     -4.795   -4.633    3.513
 ZNH           C1A    C    CR5       0.000     -5.000   -3.210    3.635
 ZNH           CAA    C    CH2       0.000     -4.061   -5.364    2.386
 ZNH           HAA1   H    H         0.000     -3.628   -6.295    2.757
 ZNH           HAA2   H    H         0.000     -3.269   -4.732    1.978
 ZNH           CBA    C    CH2       0.000     -5.078   -5.675    1.295
 ZNH           HBA1   H    H         0.000     -5.436   -4.721    0.902
 ZNH           HBA2   H    H         0.000     -5.907   -6.208    1.764
 ZNH           CGA    C    C         0.000     -4.513   -6.511    0.161
 ZNH           O1A    O    OC       -0.500     -5.297   -6.887   -0.739
 ZNH           O2A    O    OC       -0.500     -3.296   -6.802    0.159
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
 ZNH      O2D    n/a    CGD    START
 ZNH      CGD    O2D    CBD    .
 ZNH      O1D    CGD    .      .
 ZNH      CBD    CGD    CAD    .
 ZNH      HBD1   CBD    .      .
 ZNH      HBD2   CBD    .      .
 ZNH      CAD    CBD    C3D    .
 ZNH      HAD1   CAD    .      .
 ZNH      HAD2   CAD    .      .
 ZNH      C3D    CAD    C4D    .
 ZNH      C2D    C3D    C1D    .
 ZNH      CMD    C2D    HMD1   .
 ZNH      HMD3   CMD    .      .
 ZNH      HMD2   CMD    .      .
 ZNH      HMD1   CMD    .      .
 ZNH      C1D    C2D    CHD    .
 ZNH      CHD    C1D    HHD    .
 ZNH      HHD    CHD    .      .
 ZNH      C4D    C3D    ND     .
 ZNH      CHA    C4D    HHA    .
 ZNH      HHA    CHA    .      .
 ZNH      ND     C4D    ZN     .
 ZNH      ZN     ND     NA     .
 ZNH      NB     ZN     C4B    .
 ZNH      C4B    NB     C3B    .
 ZNH      C3B    C4B    C2B    .
 ZNH      CAB    C3B    CBB    .
 ZNH      HAB    CAB    .      .
 ZNH      CBB    CAB    HBB1   .
 ZNH      HBB2   CBB    .      .
 ZNH      HBB1   CBB    .      .
 ZNH      C2B    C3B    C1B    .
 ZNH      CMB    C2B    HMB1   .
 ZNH      HMB3   CMB    .      .
 ZNH      HMB2   CMB    .      .
 ZNH      HMB1   CMB    .      .
 ZNH      C1B    C2B    CHB    .
 ZNH      CHB    C1B    HHB    .
 ZNH      HHB    CHB    .      .
 ZNH      NC     ZN     C4C    .
 ZNH      C4C    NC     C3C    .
 ZNH      C3C    C4C    C2C    .
 ZNH      CAC    C3C    CBC    .
 ZNH      HAC    CAC    .      .
 ZNH      CBC    CAC    HBC1   .
 ZNH      HBC2   CBC    .      .
 ZNH      HBC1   CBC    .      .
 ZNH      C2C    C3C    C1C    .
 ZNH      CMC    C2C    HMC1   .
 ZNH      HMC3   CMC    .      .
 ZNH      HMC2   CMC    .      .
 ZNH      HMC1   CMC    .      .
 ZNH      C1C    C2C    CHC    .
 ZNH      CHC    C1C    HHC    .
 ZNH      HHC    CHC    .      .
 ZNH      NA     ZN     C4A    .
 ZNH      C4A    NA     C3A    .
 ZNH      C3A    C4A    C2A    .
 ZNH      CMA    C3A    HMA1   .
 ZNH      HMA3   CMA    .      .
 ZNH      HMA2   CMA    .      .
 ZNH      HMA1   CMA    .      .
 ZNH      C2A    C3A    CAA    .
 ZNH      C1A    C2A    .      .
 ZNH      CAA    C2A    CBA    .
 ZNH      HAA1   CAA    .      .
 ZNH      HAA2   CAA    .      .
 ZNH      CBA    CAA    CGA    .
 ZNH      HBA1   CBA    .      .
 ZNH      HBA2   CBA    .      .
 ZNH      CGA    CBA    O2A    .
 ZNH      O1A    CGA    .      .
 ZNH      O2A    CGA    .      END
 ZNH      CHA    C1A    .    ADD
 ZNH      CHB    C4A    .    ADD
 ZNH      CHC    C4B    .    ADD
 ZNH      CHD    C4C    .    ADD
 ZNH      NA     C1A    .    ADD
 ZNH      NB     C1B    .    ADD
 ZNH      NC     C1C    .    ADD
 ZNH      ND     C1D    .    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
 ZNH      NA     ZN        single      2.150    0.020
 ZNH      NB     ZN        single      2.150    0.020
 ZNH      NC     ZN        single      2.150    0.020
 ZNH      ZN     ND        single      2.150    0.020
 ZNH      CHA    C1A       double      1.483    0.020
 ZNH      CHA    C4D       single      1.483    0.020
 ZNH      HHA    CHA       single      1.077    0.020
 ZNH      CHB    C4A       double      1.483    0.020
 ZNH      CHB    C1B       single      1.483    0.020
 ZNH      HHB    CHB       single      1.077    0.020
 ZNH      CHC    C4B       double      1.483    0.020
 ZNH      CHC    C1C       single      1.483    0.020
 ZNH      HHC    CHC       single      1.077    0.020
 ZNH      CHD    C4C       single      1.483    0.020
 ZNH      CHD    C1D       double      1.483    0.020
 ZNH      HHD    CHD       single      1.077    0.020
 ZNH      NA     C1A       single      1.337    0.020
 ZNH      C4A    NA        single      1.337    0.020
 ZNH      C1A    C2A       single      1.490    0.020
 ZNH      C2A    C3A       double      1.490    0.020
 ZNH      CAA    C2A       single      1.510    0.020
 ZNH      C3A    C4A       single      1.490    0.020
 ZNH      CMA    C3A       single      1.506    0.020
 ZNH      HMA1   CMA       single      1.059    0.020
 ZNH      HMA2   CMA       single      1.059    0.020
 ZNH      HMA3   CMA       single      1.059    0.020
 ZNH      CBA    CAA       single      1.524    0.020
 ZNH      HAA1   CAA       single      1.092    0.020
 ZNH      HAA2   CAA       single      1.092    0.020
 ZNH      CGA    CBA       single      1.510    0.020
 ZNH      HBA1   CBA       single      1.092    0.020
 ZNH      HBA2   CBA       single      1.092    0.020
 ZNH      O1A    CGA       deloc       1.250    0.020
 ZNH      O2A    CGA       deloc       1.250    0.020
 ZNH      NB     C1B       double      1.337    0.020
 ZNH      C4B    NB        single      1.337    0.020
 ZNH      C1B    C2B       single      1.490    0.020
 ZNH      C2B    C3B       double      1.490    0.020
 ZNH      CMB    C2B       single      1.506    0.020
 ZNH      C3B    C4B       single      1.490    0.020
 ZNH      CAB    C3B       single      1.483    0.020
 ZNH      HMB1   CMB       single      1.059    0.020
 ZNH      HMB2   CMB       single      1.059    0.020
 ZNH      HMB3   CMB       single      1.059    0.020
 ZNH      CBB    CAB       double      1.320    0.020
 ZNH      HAB    CAB       single      1.077    0.020
 ZNH      HBB1   CBB       single      1.077    0.020
 ZNH      HBB2   CBB       single      1.077    0.020
 ZNH      NC     C1C       single      1.337    0.020
 ZNH      C4C    NC        single      1.337    0.020
 ZNH      C1C    C2C       double      1.490    0.020
 ZNH      C2C    C3C       single      1.490    0.020
 ZNH      CMC    C2C       single      1.506    0.020
 ZNH      C3C    C4C       double      1.490    0.020
 ZNH      CAC    C3C       single      1.483    0.020
 ZNH      HMC1   CMC       single      1.059    0.020
 ZNH      HMC2   CMC       single      1.059    0.020
 ZNH      HMC3   CMC       single      1.059    0.020
 ZNH      CBC    CAC       double      1.320    0.020
 ZNH      HAC    CAC       single      1.077    0.020
 ZNH      HBC1   CBC       single      1.077    0.020
 ZNH      HBC2   CBC       single      1.077    0.020
 ZNH      ND     C1D       single      1.337    0.020
 ZNH      ND     C4D       double      1.337    0.020
 ZNH      C1D    C2D       single      1.490    0.020
 ZNH      C2D    C3D       double      1.490    0.020
 ZNH      CMD    C2D       single      1.506    0.020
 ZNH      C4D    C3D       single      1.490    0.020
 ZNH      C3D    CAD       single      1.510    0.020
 ZNH      HMD1   CMD       single      1.059    0.020
 ZNH      HMD2   CMD       single      1.059    0.020
 ZNH      HMD3   CMD       single      1.059    0.020
 ZNH      CAD    CBD       single      1.524    0.020
 ZNH      HAD1   CAD       single      1.092    0.020
 ZNH      HAD2   CAD       single      1.092    0.020
 ZNH      CBD    CGD       single      1.510    0.020
 ZNH      HBD1   CBD       single      1.092    0.020
 ZNH      HBD2   CBD       single      1.092    0.020
 ZNH      O1D    CGD       deloc       1.250    0.020
 ZNH      CGD    O2D       deloc       1.250    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
 ZNH      O2D    CGD    O1D     123.000    3.000
 ZNH      O2D    CGD    CBD     118.500    3.000
 ZNH      O1D    CGD    CBD     118.500    3.000
 ZNH      CGD    CBD    HBD1    109.470    3.000
 ZNH      CGD    CBD    HBD2    109.470    3.000
 ZNH      CGD    CBD    CAD     109.470    3.000
 ZNH      HBD1   CBD    HBD2    107.900    3.000
 ZNH      HBD1   CBD    CAD     109.470    3.000
 ZNH      HBD2   CBD    CAD     109.470    3.000
 ZNH      CBD    CAD    HAD1    109.470    3.000
 ZNH      CBD    CAD    HAD2    109.470    3.000
 ZNH      CBD    CAD    C3D     109.470    3.000
 ZNH      HAD1   CAD    HAD2    107.900    3.000
 ZNH      HAD1   CAD    C3D     109.470    3.000
 ZNH      HAD2   CAD    C3D     109.470    3.000
 ZNH      CAD    C3D    C2D     126.000    3.000
 ZNH      CAD    C3D    C4D     126.000    3.000
 ZNH      C2D    C3D    C4D     108.000    3.000
 ZNH      C3D    C2D    CMD     126.000    3.000
 ZNH      C3D    C2D    C1D     108.000    3.000
 ZNH      CMD    C2D    C1D     126.000    3.000
 ZNH      C2D    CMD    HMD3    109.470    3.000
 ZNH      C2D    CMD    HMD2    109.470    3.000
 ZNH      C2D    CMD    HMD1    109.470    3.000
 ZNH      HMD3   CMD    HMD2    109.470    3.000
 ZNH      HMD3   CMD    HMD1    109.470    3.000
 ZNH      HMD2   CMD    HMD1    109.470    3.000
 ZNH      C2D    C1D    CHD     117.000    3.000
 ZNH      C2D    C1D    ND      108.000    3.000
 ZNH      CHD    C1D    ND      108.000    3.000
 ZNH      C1D    CHD    HHD     120.000    3.000
 ZNH      C1D    CHD    C4C     120.000    3.000
 ZNH      HHD    CHD    C4C     120.000    3.000
 ZNH      C3D    C4D    CHA     117.000    3.000
 ZNH      C3D    C4D    ND      108.000    3.000
 ZNH      CHA    C4D    ND      108.000    3.000
 ZNH      C4D    CHA    HHA     120.000    3.000
 ZNH      C4D    CHA    C1A     120.000    3.000
 ZNH      HHA    CHA    C1A     120.000    3.000
 ZNH      C4D    ND     ZN      108.000    3.000
 ZNH      C4D    ND     C1D     108.000    3.000
 ZNH      ZN     ND     C1D     108.000    3.000
 ZNH      ND     ZN     NB      180.000    3.000
 ZNH      ND     ZN     NC       90.000    3.000
 ZNH      ND     ZN     NA       90.000    3.000
 ZNH      NB     ZN     NC       90.000    3.000
 ZNH      NB     ZN     NA       90.000    3.000
 ZNH      NC     ZN     NA      180.000    3.000
 ZNH      ZN     NB     C4B     108.000    3.000
 ZNH      ZN     NB     C1B     108.000    3.000
 ZNH      C4B    NB     C1B     108.000    3.000
 ZNH      NB     C4B    C3B     108.000    3.000
 ZNH      NB     C4B    CHC     108.000    3.000
 ZNH      C3B    C4B    CHC     117.000    3.000
 ZNH      C4B    C3B    CAB     117.000    3.000
 ZNH      C4B    C3B    C2B     108.000    3.000
 ZNH      CAB    C3B    C2B     117.000    3.000
 ZNH      C3B    CAB    HAB     120.000    3.000
 ZNH      C3B    CAB    CBB     120.000    3.000
 ZNH      HAB    CAB    CBB     120.000    3.000
 ZNH      CAB    CBB    HBB2    120.000    3.000
 ZNH      CAB    CBB    HBB1    120.000    3.000
 ZNH      HBB2   CBB    HBB1    120.000    3.000
 ZNH      C3B    C2B    CMB     126.000    3.000
 ZNH      C3B    C2B    C1B     108.000    3.000
 ZNH      CMB    C2B    C1B     126.000    3.000
 ZNH      C2B    CMB    HMB3    109.470    3.000
 ZNH      C2B    CMB    HMB2    109.470    3.000
 ZNH      C2B    CMB    HMB1    109.470    3.000
 ZNH      HMB3   CMB    HMB2    109.470    3.000
 ZNH      HMB3   CMB    HMB1    109.470    3.000
 ZNH      HMB2   CMB    HMB1    109.470    3.000
 ZNH      C2B    C1B    CHB     117.000    3.000
 ZNH      C2B    C1B    NB      108.000    3.000
 ZNH      CHB    C1B    NB      108.000    3.000
 ZNH      C1B    CHB    HHB     120.000    3.000
 ZNH      C1B    CHB    C4A     120.000    3.000
 ZNH      HHB    CHB    C4A     120.000    3.000
 ZNH      ZN     NC     C4C     108.000    3.000
 ZNH      ZN     NC     C1C     108.000    3.000
 ZNH      C4C    NC     C1C     108.000    3.000
 ZNH      NC     C4C    C3C     108.000    3.000
 ZNH      NC     C4C    CHD     108.000    3.000
 ZNH      C3C    C4C    CHD     117.000    3.000
 ZNH      C4C    C3C    CAC     117.000    3.000
 ZNH      C4C    C3C    C2C     108.000    3.000
 ZNH      CAC    C3C    C2C     117.000    3.000
 ZNH      C3C    CAC    HAC     120.000    3.000
 ZNH      C3C    CAC    CBC     120.000    3.000
 ZNH      HAC    CAC    CBC     120.000    3.000
 ZNH      CAC    CBC    HBC2    120.000    3.000
 ZNH      CAC    CBC    HBC1    120.000    3.000
 ZNH      HBC2   CBC    HBC1    120.000    3.000
 ZNH      C3C    C2C    CMC     126.000    3.000
 ZNH      C3C    C2C    C1C     108.000    3.000
 ZNH      CMC    C2C    C1C     126.000    3.000
 ZNH      C2C    CMC    HMC3    109.470    3.000
 ZNH      C2C    CMC    HMC2    109.470    3.000
 ZNH      C2C    CMC    HMC1    109.470    3.000
 ZNH      HMC3   CMC    HMC2    109.470    3.000
 ZNH      HMC3   CMC    HMC1    109.470    3.000
 ZNH      HMC2   CMC    HMC1    109.470    3.000
 ZNH      C2C    C1C    CHC     117.000    3.000
 ZNH      C2C    C1C    NC      108.000    3.000
 ZNH      CHC    C1C    NC      108.000    3.000
 ZNH      C1C    CHC    HHC     120.000    3.000
 ZNH      C1C    CHC    C4B     120.000    3.000
 ZNH      HHC    CHC    C4B     120.000    3.000
 ZNH      ZN     NA     C4A     108.000    3.000
 ZNH      ZN     NA     C1A     108.000    3.000
 ZNH      C4A    NA     C1A     108.000    3.000
 ZNH      NA     C4A    C3A     108.000    3.000
 ZNH      NA     C4A    CHB     108.000    3.000
 ZNH      C3A    C4A    CHB     117.000    3.000
 ZNH      C4A    C3A    CMA     126.000    3.000
 ZNH      C4A    C3A    C2A     108.000    3.000
 ZNH      CMA    C3A    C2A     126.000    3.000
 ZNH      C3A    CMA    HMA3    109.470    3.000
 ZNH      C3A    CMA    HMA2    109.470    3.000
 ZNH      C3A    CMA    HMA1    109.470    3.000
 ZNH      HMA3   CMA    HMA2    109.470    3.000
 ZNH      HMA3   CMA    HMA1    109.470    3.000
 ZNH      HMA2   CMA    HMA1    109.470    3.000
 ZNH      C3A    C2A    C1A     108.000    3.000
 ZNH      C3A    C2A    CAA     126.000    3.000
 ZNH      C1A    C2A    CAA     126.000    3.000
 ZNH      C2A    C1A    CHA     117.000    3.000
 ZNH      C2A    C1A    NA      108.000    3.000
 ZNH      CHA    C1A    NA      108.000    3.000
 ZNH      C2A    CAA    HAA1    109.470    3.000
 ZNH      C2A    CAA    HAA2    109.470    3.000
 ZNH      C2A    CAA    CBA     109.470    3.000
 ZNH      HAA1   CAA    HAA2    107.900    3.000
 ZNH      HAA1   CAA    CBA     109.470    3.000
 ZNH      HAA2   CAA    CBA     109.470    3.000
 ZNH      CAA    CBA    HBA1    109.470    3.000
 ZNH      CAA    CBA    HBA2    109.470    3.000
 ZNH      CAA    CBA    CGA     109.470    3.000
 ZNH      HBA1   CBA    HBA2    107.900    3.000
 ZNH      HBA1   CBA    CGA     109.470    3.000
 ZNH      HBA2   CBA    CGA     109.470    3.000
 ZNH      CBA    CGA    O1A     118.500    3.000
 ZNH      CBA    CGA    O2A     118.500    3.000
 ZNH      O1A    CGA    O2A     123.000    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
 ZNH      var_1    O2D    CGD    CBD    CAD      175.965   20.000   3
 ZNH      var_2    CGD    CBD    CAD    C3D     -169.676   20.000   3
 ZNH      var_3    CBD    CAD    C3D    C4D      -85.325   20.000   2
 ZNH      CONST_1  CAD    C3D    C2D    C1D      180.000    0.000   0
 ZNH      var_4    C3D    C2D    CMD    HMD1      -0.109   20.000   1
 ZNH      CONST_2  C3D    C2D    C1D    CHD      180.000    0.000   0
 ZNH      var_5    C2D    C1D    CHD    C4C      180.000   20.000   1
 ZNH      var_6    C1D    CHD    C4C    NC         0.000   20.000   1
 ZNH      CONST_3  CAD    C3D    C4D    ND       180.000    0.000   0
 ZNH      var_7    C3D    C4D    CHA    C1A      180.000   20.000   1
 ZNH      var_8    C4D    CHA    C1A    C2A      180.000   20.000   1
 ZNH      CONST_4  C3D    C4D    ND     ZN       180.000    0.000   0
 ZNH      CONST_5  C4D    ND     C1D    C2D        0.000    0.000   0
 ZNH      var_9    C1D    ND     ZN     NC         0.000   20.000   1
 ZNH      var_10   C4B    NB     ZN     NC         0.000   20.000   1
 ZNH      CONST_6  ZN     NB     C1B    C2B      180.000    0.000   0
 ZNH      CONST_7  ZN     NB     C4B    C3B      180.000    0.000   0
 ZNH      CONST_8  NB     C4B    C3B    C2B        0.000    0.000   0
 ZNH      var_11   C4B    C3B    CAB    CBB     -111.859   20.000   1
 ZNH      CONST_9  C3B    CAB    CBB    HBB1      -0.007    0.000   0
 ZNH      CONST_10 C4B    C3B    C2B    C1B        0.000    0.000   0
 ZNH      var_12   C3B    C2B    CMB    HMB1      -5.571   20.000   1
 ZNH      CONST_11 C3B    C2B    C1B    CHB      180.000    0.000   0
 ZNH      var_13   C2B    C1B    CHB    C4A      180.000   20.000   1
 ZNH      var_14   C1B    CHB    C4A    NA         0.000   20.000   1
 ZNH      var_15   C4C    NC     ZN     ND         0.000   20.000   1
 ZNH      CONST_12 ZN     NC     C1C    C2C      180.000    0.000   0
 ZNH      CONST_13 ZN     NC     C4C    C3C      180.000    0.000   0
 ZNH      CONST_14 NC     C4C    C3C    C2C        0.000    0.000   0
 ZNH      var_16   C4C    C3C    CAC    CBC     -128.975   20.000   1
 ZNH      CONST_15 C3C    CAC    CBC    HBC1      -0.040    0.000   0
 ZNH      CONST_16 C4C    C3C    C2C    C1C        0.000    0.000   0
 ZNH      var_17   C3C    C2C    CMC    HMC1       0.662   20.000   1
 ZNH      CONST_17 C3C    C2C    C1C    CHC      180.000    0.000   0
 ZNH      var_18   C2C    C1C    CHC    C4B      180.000   20.000   1
 ZNH      var_19   C1C    CHC    C4B    NB         0.000   20.000   1
 ZNH      var_20   C1A    NA     ZN     ND         0.000   20.000   1
 ZNH      CONST_18 ZN     NA     C1A    C2A      180.000    0.000   0
 ZNH      CONST_19 ZN     NA     C4A    C3A      180.000    0.000   0
 ZNH      CONST_20 NA     C4A    C3A    C2A        0.000    0.000   0
 ZNH      var_21   C4A    C3A    CMA    HMA1      -0.426   20.000   1
 ZNH      CONST_21 C4A    C3A    C2A    CAA      180.000    0.000   0
 ZNH      CONST_22 C3A    C2A    C1A    CHA      180.000    0.000   0
 ZNH      var_22   C3A    C2A    CAA    CBA       90.762   20.000   2
 ZNH      var_23   C2A    CAA    CBA    CGA     -174.916   20.000   3
 ZNH      var_24   CAA    CBA    CGA    O2A       -4.169   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
 ZNH      chir_01  ZN     ND     NB     NC        cross2
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
 ZNH      plan-1    CHA       0.020
 ZNH      plan-1    C1A       0.020
 ZNH      plan-1    C4D       0.020
 ZNH      plan-1    HHA       0.020
 ZNH      plan-2    CHB       0.020
 ZNH      plan-2    C4A       0.020
 ZNH      plan-2    C1B       0.020
 ZNH      plan-2    HHB       0.020
 ZNH      plan-3    CHC       0.020
 ZNH      plan-3    C4B       0.020
 ZNH      plan-3    C1C       0.020
 ZNH      plan-3    HHC       0.020
 ZNH      plan-4    CHD       0.020
 ZNH      plan-4    C4C       0.020
 ZNH      plan-4    C1D       0.020
 ZNH      plan-4    HHD       0.020
 ZNH      plan-5    NA        0.020
 ZNH      plan-5    ZN        0.020
 ZNH      plan-5    C1A       0.020
 ZNH      plan-5    C4A       0.020
 ZNH      plan-5    C2A       0.020
 ZNH      plan-5    C3A       0.020
 ZNH      plan-5    CHA       0.020
 ZNH      plan-5    CAA       0.020
 ZNH      plan-5    CMA       0.020
 ZNH      plan-5    CHB       0.020
 ZNH      plan-5    HHA       0.020
 ZNH      plan-5    HHB       0.020
 ZNH      plan-6    CGA       0.020
 ZNH      plan-6    CBA       0.020
 ZNH      plan-6    O1A       0.020
 ZNH      plan-6    O2A       0.020
 ZNH      plan-7    NB        0.020
 ZNH      plan-7    ZN        0.020
 ZNH      plan-7    C1B       0.020
 ZNH      plan-7    C4B       0.020
 ZNH      plan-7    C2B       0.020
 ZNH      plan-7    C3B       0.020
 ZNH      plan-7    CHB       0.020
 ZNH      plan-7    CMB       0.020
 ZNH      plan-7    CAB       0.020
 ZNH      plan-7    CHC       0.020
 ZNH      plan-7    HHB       0.020
 ZNH      plan-7    HAB       0.020
 ZNH      plan-7    HHC       0.020
 ZNH      plan-8    CAB       0.020
 ZNH      plan-8    C3B       0.020
 ZNH      plan-8    CBB       0.020
 ZNH      plan-8    HAB       0.020
 ZNH      plan-8    HBB1      0.020
 ZNH      plan-8    HBB2      0.020
 ZNH      plan-9    NC        0.020
 ZNH      plan-9    ZN        0.020
 ZNH      plan-9    C1C       0.020
 ZNH      plan-9    C4C       0.020
 ZNH      plan-9    C2C       0.020
 ZNH      plan-9    C3C       0.020
 ZNH      plan-9    CHC       0.020
 ZNH      plan-9    CMC       0.020
 ZNH      plan-9    CAC       0.020
 ZNH      plan-9    CHD       0.020
 ZNH      plan-9    HHC       0.020
 ZNH      plan-9    HAC       0.020
 ZNH      plan-9    HHD       0.020
 ZNH      plan-10   CAC       0.020
 ZNH      plan-10   C3C       0.020
 ZNH      plan-10   CBC       0.020
 ZNH      plan-10   HAC       0.020
 ZNH      plan-10   HBC1      0.020
 ZNH      plan-10   HBC2      0.020
 ZNH      plan-11   ND        0.020
 ZNH      plan-11   ZN        0.020
 ZNH      plan-11   C1D       0.020
 ZNH      plan-11   C4D       0.020
 ZNH      plan-11   C2D       0.020
 ZNH      plan-11   C3D       0.020
 ZNH      plan-11   CHD       0.020
 ZNH      plan-11   CMD       0.020
 ZNH      plan-11   CAD       0.020
 ZNH      plan-11   CHA       0.020
 ZNH      plan-11   HHD       0.020
 ZNH      plan-11   HHA       0.020
 ZNH      plan-12   CGD       0.020
 ZNH      plan-12   CBD       0.020
 ZNH      plan-12   O1D       0.020
 ZNH      plan-12   O2D       0.020
# ------------------------------------------------------
