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
COH      COH 'PROTOPORPHYRIN IX CONTAINING CO     ' non-polymer        73  43 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_COH
#
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
 COH           O2D    O    OC       -0.500      0.000    0.000    0.000
 COH           CGD    C    C         0.000     -0.694    0.183   -1.025
 COH           O1D    O    OC       -0.500     -0.173    0.311   -2.155
 COH           CBD    C    CH2       0.000     -2.204    0.293   -0.886
 COH           HBD1   H    H         0.000     -2.502   -0.237    0.021
 COH           HBD2   H    H         0.000     -2.661   -0.188   -1.754
 COH           CAD    C    CH2       0.000     -2.664    1.733   -0.805
 COH           HAD1   H    H         0.000     -2.405    2.264   -1.724
 COH           HAD2   H    H         0.000     -2.196    2.231    0.046
 COH           C3D    C    CR5       0.000     -4.154    1.730   -0.629
 COH           C2D    C    CR5       0.000     -5.077    1.551   -1.615
 COH           CMD    C    CH3       0.000     -4.911    1.480   -3.152
 COH           HMD3   H    H         0.000     -5.260    0.543   -3.511
 COH           HMD2   H    H         0.000     -5.470    2.256   -3.614
 COH           HMD1   H    H         0.000     -3.887    1.589   -3.412
 COH           C1D    C    CR5       0.000     -6.395    1.434   -0.886
 COH           CHD    C    C1        0.000     -7.672    1.262   -1.526
 COH           HHD    H    H         0.000     -7.664    1.277   -2.603
 COH           C4D    C    CR5       0.000     -4.876    1.764    0.625
 COH           CHA    C    C1        0.000     -4.292    1.994    1.842
 COH           HHA    H    H         0.000     -3.242    2.235    1.852
 COH           ND     N    NR5       0.000     -6.265    1.575    0.379
 COH           CO     CO   CO        0.000     -7.733    1.484    1.867
 COH           NB     N    NR5       0.000     -9.084    1.364    3.187
 COH           C4B    C    CR5       0.000     -9.210    2.163    4.233
 COH           C3B    C    CR5       0.000    -10.444    1.892    4.959
 COH           CAB    C    C1        0.000    -10.821    2.487    6.197
 COH           HAB    H    H         0.000    -10.056    2.690    6.926
 COH           CBB    C    C2        0.000    -12.132    2.814    6.501
 COH           HBB2   H    H         0.000    -12.394    3.268    7.457
 COH           HBB1   H    H         0.000    -12.940    2.626    5.793
 COH           C2B    C    CR5       0.000    -11.089    0.879    4.299
 COH           CMB    C    CH3       0.000    -12.365    0.030    4.623
 COH           HMB3   H    H         0.000    -13.018    0.013    3.783
 COH           HMB2   H    H         0.000    -12.090   -0.970    4.862
 COH           HMB1   H    H         0.000    -12.884    0.449    5.451
 COH           C1B    C    CR5       0.000    -10.189    0.568    3.245
 COH           CHB    C    C1        0.000    -10.501   -0.410    2.252
 COH           HHB    H    H         0.000    -11.068   -1.045    1.594
 COH           NC     N    NR5       0.000     -9.067    1.151    0.388
 COH           C4C    C    CR5       0.000     -8.868    1.084   -0.953
 COH           C3C    C    CR5       0.000     -9.982    0.627   -1.691
 COH           CAC    C    C1        0.000     -9.938    0.223   -3.073
 COH           HAC    H    H         0.000     -9.029    0.309   -3.645
 COH           CBC    C    C2        0.000    -11.127   -0.294   -3.665
 COH           HBC2   H    H         0.000    -11.160   -0.619   -4.714
 COH           HBC1   H    H         0.000    -12.064   -0.389   -3.099
 COH           C2C    C    CR5       0.000    -11.001    0.530   -0.710
 COH           CMC    C    CH3       0.000    -12.494    0.252   -0.773
 COH           HMC3   H    H         0.000    -12.734   -0.554   -0.128
 COH           HMC2   H    H         0.000    -13.030    1.115   -0.469
 COH           HMC1   H    H         0.000    -12.769    0.001   -1.766
 COH           C1C    C    CR5       0.000    -10.364    0.897    0.534
 COH           CHC    C    C1        0.000    -10.951    0.955    1.763
 COH           HHC    H    H         0.000    -11.961    0.611    1.912
 COH           NA     N    NR5       0.000     -6.369    1.741    3.194
 COH           C4A    C    CR5       0.000     -6.540    1.780    4.588
 COH           C3A    C    CR5       0.000     -5.295    1.989    5.323
 COH           CMA    C    CH3       0.000     -5.255    2.166    6.827
 COH           HMA3   H    H         0.000     -4.553    1.491    7.244
 COH           HMA2   H    H         0.000     -4.970    3.160    7.060
 COH           HMA1   H    H         0.000     -6.214    1.971    7.233
 COH           C2A    C    CR5       0.000     -4.312    2.134    4.398
 COH           C1A    C    CR5       0.000     -4.953    1.940    3.078
 COH           CAA    C    CH2       0.000     -2.847    2.453    4.558
 COH           HAA1   H    H         0.000     -2.374    2.191    3.609
 COH           HAA2   H    H         0.000     -2.476    1.791    5.343
 COH           CBA    C    CH2       0.000     -2.518    3.890    4.908
 COH           HBA1   H    H         0.000     -1.433    4.007    4.890
 COH           HBA2   H    H         0.000     -2.888    4.091    5.915
 COH           CGA    C    C         0.000     -3.150    4.863    3.932
 COH           O1A    O    OC       -0.500     -2.707    4.906    2.763
 COH           O2A    O    OC       -0.500     -4.127    5.541    4.319
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
 COH      O2D    n/a    CGD    START
 COH      CGD    O2D    CBD    .
 COH      O1D    CGD    .      .
 COH      CBD    CGD    CAD    .
 COH      HBD1   CBD    .      .
 COH      HBD2   CBD    .      .
 COH      CAD    CBD    C3D    .
 COH      HAD1   CAD    .      .
 COH      HAD2   CAD    .      .
 COH      C3D    CAD    C4D    .
 COH      C2D    C3D    C1D    .
 COH      CMD    C2D    HMD1   .
 COH      HMD3   CMD    .      .
 COH      HMD2   CMD    .      .
 COH      HMD1   CMD    .      .
 COH      C1D    C2D    CHD    .
 COH      CHD    C1D    HHD    .
 COH      HHD    CHD    .      .
 COH      C4D    C3D    ND     .
 COH      CHA    C4D    HHA    .
 COH      HHA    CHA    .      .
 COH      ND     C4D    CO     .
 COH      CO     ND     NA     .
 COH      NB     CO     C4B    .
 COH      C4B    NB     C3B    .
 COH      C3B    C4B    C2B    .
 COH      CAB    C3B    CBB    .
 COH      HAB    CAB    .      .
 COH      CBB    CAB    HBB1   .
 COH      HBB2   CBB    .      .
 COH      HBB1   CBB    .      .
 COH      C2B    C3B    C1B    .
 COH      CMB    C2B    HMB1   .
 COH      HMB3   CMB    .      .
 COH      HMB2   CMB    .      .
 COH      HMB1   CMB    .      .
 COH      C1B    C2B    CHB    .
 COH      CHB    C1B    HHB    .
 COH      HHB    CHB    .      .
 COH      NC     CO     C4C    .
 COH      C4C    NC     C3C    .
 COH      C3C    C4C    C2C    .
 COH      CAC    C3C    CBC    .
 COH      HAC    CAC    .      .
 COH      CBC    CAC    HBC1   .
 COH      HBC2   CBC    .      .
 COH      HBC1   CBC    .      .
 COH      C2C    C3C    C1C    .
 COH      CMC    C2C    HMC1   .
 COH      HMC3   CMC    .      .
 COH      HMC2   CMC    .      .
 COH      HMC1   CMC    .      .
 COH      C1C    C2C    CHC    .
 COH      CHC    C1C    HHC    .
 COH      HHC    CHC    .      .
 COH      NA     CO     C4A    .
 COH      C4A    NA     C3A    .
 COH      C3A    C4A    C2A    .
 COH      CMA    C3A    HMA1   .
 COH      HMA3   CMA    .      .
 COH      HMA2   CMA    .      .
 COH      HMA1   CMA    .      .
 COH      C2A    C3A    CAA    .
 COH      C1A    C2A    .      .
 COH      CAA    C2A    CBA    .
 COH      HAA1   CAA    .      .
 COH      HAA2   CAA    .      .
 COH      CBA    CAA    CGA    .
 COH      HBA1   CBA    .      .
 COH      HBA2   CBA    .      .
 COH      CGA    CBA    O2A    .
 COH      O1A    CGA    .      .
 COH      O2A    CGA    .      END
 COH      CHA    C1A    .    ADD
 COH      CHB    C4A    .    ADD
 COH      CHC    C4B    .    ADD
 COH      CHD    C4C    .    ADD
 COH      NA     C1A    .    ADD
 COH      NB     C1B    .    ADD
 COH      NC     C1C    .    ADD
 COH      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
 COH      NA     CO        single      1.890    0.020
 COH      NB     CO        single      1.890    0.020
 COH      NC     CO        single      1.890    0.020
 COH      CO     ND        single      1.890    0.020
 COH      CHA    C1A       double      1.483    0.020
 COH      CHA    C4D       single      1.483    0.020
 COH      HHA    CHA       single      1.077    0.020
 COH      CHB    C4A       single      1.483    0.020
 COH      CHB    C1B       double      1.483    0.020
 COH      HHB    CHB       single      1.077    0.020
 COH      CHC    C4B       double      1.483    0.020
 COH      CHC    C1C       single      1.483    0.020
 COH      HHC    CHC       single      1.077    0.020
 COH      CHD    C4C       double      1.483    0.020
 COH      CHD    C1D       single      1.483    0.020
 COH      HHD    CHD       single      1.077    0.020
 COH      NA     C1A       single      1.337    0.020
 COH      C4A    NA        double      1.337    0.020
 COH      C1A    C2A       single      1.490    0.020
 COH      C2A    C3A       double      1.490    0.020
 COH      CAA    C2A       single      1.510    0.020
 COH      C3A    C4A       single      1.490    0.020
 COH      CMA    C3A       single      1.506    0.020
 COH      HMA1   CMA       single      1.059    0.020
 COH      HMA2   CMA       single      1.059    0.020
 COH      HMA3   CMA       single      1.059    0.020
 COH      CBA    CAA       single      1.524    0.020
 COH      HAA1   CAA       single      1.092    0.020
 COH      HAA2   CAA       single      1.092    0.020
 COH      CGA    CBA       single      1.510    0.020
 COH      HBA1   CBA       single      1.092    0.020
 COH      HBA2   CBA       single      1.092    0.020
 COH      O1A    CGA       deloc       1.250    0.020
 COH      O2A    CGA       deloc       1.250    0.020
 COH      NB     C1B       single      1.337    0.020
 COH      C4B    NB        single      1.337    0.020
 COH      C1B    C2B       single      1.490    0.020
 COH      C2B    C3B       double      1.490    0.020
 COH      CMB    C2B       single      1.506    0.020
 COH      C3B    C4B       single      1.490    0.020
 COH      CAB    C3B       single      1.483    0.020
 COH      HMB1   CMB       single      1.059    0.020
 COH      HMB2   CMB       single      1.059    0.020
 COH      HMB3   CMB       single      1.059    0.020
 COH      CBB    CAB       double      1.320    0.020
 COH      HAB    CAB       single      1.077    0.020
 COH      HBB1   CBB       single      1.077    0.020
 COH      HBB2   CBB       single      1.077    0.020
 COH      NC     C1C       double      1.337    0.020
 COH      C4C    NC        single      1.337    0.020
 COH      C1C    C2C       single      1.490    0.020
 COH      C2C    C3C       double      1.490    0.020
 COH      CMC    C2C       single      1.506    0.020
 COH      C3C    C4C       single      1.490    0.020
 COH      CAC    C3C       single      1.483    0.020
 COH      HMC1   CMC       single      1.059    0.020
 COH      HMC2   CMC       single      1.059    0.020
 COH      HMC3   CMC       single      1.059    0.020
 COH      CBC    CAC       double      1.320    0.020
 COH      HAC    CAC       single      1.077    0.020
 COH      HBC1   CBC       single      1.077    0.020
 COH      HBC2   CBC       single      1.077    0.020
 COH      ND     C1D       single      1.337    0.020
 COH      ND     C4D       single      1.337    0.020
 COH      C1D    C2D       double      1.490    0.020
 COH      C2D    C3D       single      1.490    0.020
 COH      CMD    C2D       single      1.506    0.020
 COH      C4D    C3D       double      1.490    0.020
 COH      C3D    CAD       single      1.510    0.020
 COH      HMD1   CMD       single      1.059    0.020
 COH      HMD2   CMD       single      1.059    0.020
 COH      HMD3   CMD       single      1.059    0.020
 COH      CAD    CBD       single      1.524    0.020
 COH      HAD1   CAD       single      1.092    0.020
 COH      HAD2   CAD       single      1.092    0.020
 COH      CBD    CGD       single      1.510    0.020
 COH      HBD1   CBD       single      1.092    0.020
 COH      HBD2   CBD       single      1.092    0.020
 COH      O1D    CGD       deloc       1.250    0.020
 COH      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
 COH      O2D    CGD    O1D     123.000    3.000
 COH      O2D    CGD    CBD     118.500    3.000
 COH      O1D    CGD    CBD     118.500    3.000
 COH      CGD    CBD    HBD1    109.470    3.000
 COH      CGD    CBD    HBD2    109.470    3.000
 COH      CGD    CBD    CAD     109.470    3.000
 COH      HBD1   CBD    HBD2    107.900    3.000
 COH      HBD1   CBD    CAD     109.470    3.000
 COH      HBD2   CBD    CAD     109.470    3.000
 COH      CBD    CAD    HAD1    109.470    3.000
 COH      CBD    CAD    HAD2    109.470    3.000
 COH      CBD    CAD    C3D     109.470    3.000
 COH      HAD1   CAD    HAD2    107.900    3.000
 COH      HAD1   CAD    C3D     109.470    3.000
 COH      HAD2   CAD    C3D     109.470    3.000
 COH      CAD    C3D    C2D     126.000    3.000
 COH      CAD    C3D    C4D     126.000    3.000
 COH      C2D    C3D    C4D     108.000    3.000
 COH      C3D    C2D    CMD     126.000    3.000
 COH      C3D    C2D    C1D     108.000    3.000
 COH      CMD    C2D    C1D     126.000    3.000
 COH      C2D    CMD    HMD3    109.470    3.000
 COH      C2D    CMD    HMD2    109.470    3.000
 COH      C2D    CMD    HMD1    109.470    3.000
 COH      HMD3   CMD    HMD2    109.470    3.000
 COH      HMD3   CMD    HMD1    109.470    3.000
 COH      HMD2   CMD    HMD1    109.470    3.000
 COH      C2D    C1D    CHD     117.000    3.000
 COH      C2D    C1D    ND      108.000    3.000
 COH      CHD    C1D    ND      108.000    3.000
 COH      C1D    CHD    HHD     120.000    3.000
 COH      C1D    CHD    C4C     120.000    3.000
 COH      HHD    CHD    C4C     120.000    3.000
 COH      C3D    C4D    CHA     117.000    3.000
 COH      C3D    C4D    ND      108.000    3.000
 COH      CHA    C4D    ND      108.000    3.000
 COH      C4D    CHA    HHA     120.000    3.000
 COH      C4D    CHA    C1A     120.000    3.000
 COH      HHA    CHA    C1A     120.000    3.000
 COH      C4D    ND     CO      126.000    3.000
 COH      C4D    ND     C1D     108.000    3.000
 COH      CO     ND     C1D     126.000    3.000
 COH      ND     CO     NB      180.000    3.000
 COH      ND     CO     NC       90.000    3.000
 COH      ND     CO     NA       90.000    3.000
 COH      NB     CO     NC       90.000    3.000
 COH      NB     CO     NA       90.000    3.000
 COH      NC     CO     NA      180.000    3.000
 COH      CO     NB     C4B     126.000    3.000
 COH      CO     NB     C1B     126.000    3.000
 COH      C4B    NB     C1B     108.000    3.000
 COH      NB     C4B    C3B     108.000    3.000
 COH      NB     C4B    CHC     108.000    3.000
 COH      C3B    C4B    CHC     117.000    3.000
 COH      C4B    C3B    CAB     117.000    3.000
 COH      C4B    C3B    C2B     108.000    3.000
 COH      CAB    C3B    C2B     117.000    3.000
 COH      C3B    CAB    HAB     120.000    3.000
 COH      C3B    CAB    CBB     120.000    3.000
 COH      HAB    CAB    CBB     120.000    3.000
 COH      CAB    CBB    HBB2    120.000    3.000
 COH      CAB    CBB    HBB1    120.000    3.000
 COH      HBB2   CBB    HBB1    120.000    3.000
 COH      C3B    C2B    CMB     126.000    3.000
 COH      C3B    C2B    C1B     108.000    3.000
 COH      CMB    C2B    C1B     126.000    3.000
 COH      C2B    CMB    HMB3    109.470    3.000
 COH      C2B    CMB    HMB2    109.470    3.000
 COH      C2B    CMB    HMB1    109.470    3.000
 COH      HMB3   CMB    HMB2    109.470    3.000
 COH      HMB3   CMB    HMB1    109.470    3.000
 COH      HMB2   CMB    HMB1    109.470    3.000
 COH      C2B    C1B    CHB     117.000    3.000
 COH      C2B    C1B    NB      108.000    3.000
 COH      CHB    C1B    NB      108.000    3.000
 COH      C1B    CHB    HHB     120.000    3.000
 COH      C1B    CHB    C4A     120.000    3.000
 COH      HHB    CHB    C4A     120.000    3.000
 COH      CO     NC     C4C     126.000    3.000
 COH      CO     NC     C1C     126.000    3.000
 COH      C4C    NC     C1C     108.000    3.000
 COH      NC     C4C    C3C     108.000    3.000
 COH      NC     C4C    CHD     108.000    3.000
 COH      C3C    C4C    CHD     117.000    3.000
 COH      C4C    C3C    CAC     117.000    3.000
 COH      C4C    C3C    C2C     108.000    3.000
 COH      CAC    C3C    C2C     117.000    3.000
 COH      C3C    CAC    HAC     120.000    3.000
 COH      C3C    CAC    CBC     120.000    3.000
 COH      HAC    CAC    CBC     120.000    3.000
 COH      CAC    CBC    HBC2    120.000    3.000
 COH      CAC    CBC    HBC1    120.000    3.000
 COH      HBC2   CBC    HBC1    120.000    3.000
 COH      C3C    C2C    CMC     126.000    3.000
 COH      C3C    C2C    C1C     108.000    3.000
 COH      CMC    C2C    C1C     126.000    3.000
 COH      C2C    CMC    HMC3    109.470    3.000
 COH      C2C    CMC    HMC2    109.470    3.000
 COH      C2C    CMC    HMC1    109.470    3.000
 COH      HMC3   CMC    HMC2    109.470    3.000
 COH      HMC3   CMC    HMC1    109.470    3.000
 COH      HMC2   CMC    HMC1    109.470    3.000
 COH      C2C    C1C    CHC     117.000    3.000
 COH      C2C    C1C    NC      108.000    3.000
 COH      CHC    C1C    NC      108.000    3.000
 COH      C1C    CHC    HHC     120.000    3.000
 COH      C1C    CHC    C4B     120.000    3.000
 COH      HHC    CHC    C4B     120.000    3.000
 COH      CO     NA     C4A     126.000    3.000
 COH      CO     NA     C1A     126.000    3.000
 COH      C4A    NA     C1A     108.000    3.000
 COH      NA     C4A    C3A     108.000    3.000
 COH      NA     C4A    CHB     108.000    3.000
 COH      C3A    C4A    CHB     117.000    3.000
 COH      C4A    C3A    CMA     126.000    3.000
 COH      C4A    C3A    C2A     108.000    3.000
 COH      CMA    C3A    C2A     126.000    3.000
 COH      C3A    CMA    HMA3    109.470    3.000
 COH      C3A    CMA    HMA2    109.470    3.000
 COH      C3A    CMA    HMA1    109.470    3.000
 COH      HMA3   CMA    HMA2    109.470    3.000
 COH      HMA3   CMA    HMA1    109.470    3.000
 COH      HMA2   CMA    HMA1    109.470    3.000
 COH      C3A    C2A    C1A     108.000    3.000
 COH      C3A    C2A    CAA     126.000    3.000
 COH      C1A    C2A    CAA     126.000    3.000
 COH      C2A    C1A    CHA     117.000    3.000
 COH      C2A    C1A    NA      108.000    3.000
 COH      CHA    C1A    NA      108.000    3.000
 COH      C2A    CAA    HAA1    109.470    3.000
 COH      C2A    CAA    HAA2    109.470    3.000
 COH      C2A    CAA    CBA     109.470    3.000
 COH      HAA1   CAA    HAA2    107.900    3.000
 COH      HAA1   CAA    CBA     109.470    3.000
 COH      HAA2   CAA    CBA     109.470    3.000
 COH      CAA    CBA    HBA1    109.470    3.000
 COH      CAA    CBA    HBA2    109.470    3.000
 COH      CAA    CBA    CGA     109.470    3.000
 COH      HBA1   CBA    HBA2    107.900    3.000
 COH      HBA1   CBA    CGA     109.470    3.000
 COH      HBA2   CBA    CGA     109.470    3.000
 COH      CBA    CGA    O1A     118.500    3.000
 COH      CBA    CGA    O2A     118.500    3.000
 COH      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
 COH      var_1    O2D    CGD    CBD    CAD       95.752   20.000   3
 COH      var_2    CGD    CBD    CAD    C3D     -178.305   20.000   3
 COH      var_3    CBD    CAD    C3D    C4D       92.797   20.000   2
 COH      CONST_1  CAD    C3D    C2D    C1D      180.000    0.000   0
 COH      var_4    C3D    C2D    CMD    HMD1       0.373   20.000   1
 COH      CONST_2  C3D    C2D    C1D    CHD      180.000    0.000   0
 COH      var_5    C2D    C1D    CHD    C4C      180.000   20.000   1
 COH      var_6    C1D    CHD    C4C    NC         0.000   20.000   1
 COH      CONST_3  CAD    C3D    C4D    ND       180.000    0.000   0
 COH      var_7    C3D    C4D    CHA    C1A      180.000   20.000   1
 COH      var_8    C4D    CHA    C1A    C2A      180.000   20.000   1
 COH      CONST_4  C3D    C4D    ND     CO       180.000    0.000   0
 COH      CONST_5  C4D    ND     C1D    C2D        0.000    0.000   0
 COH      var_9    C1D    ND     CO     NC         0.000   20.000   1
 COH      var_10   C4B    NB     CO     NC         0.000   20.000   1
 COH      CONST_6  CO     NB     C1B    C2B      180.000    0.000   0
 COH      CONST_7  CO     NB     C4B    C3B      180.000    0.000   0
 COH      CONST_8  NB     C4B    C3B    C2B        0.000    0.000   0
 COH      var_11   C4B    C3B    CAB    CBB      143.910   20.000   1
 COH      CONST_9  C3B    CAB    CBB    HBB1      -0.003    0.000   0
 COH      CONST_10 C4B    C3B    C2B    C1B        0.000    0.000   0
 COH      var_12   C3B    C2B    CMB    HMB1      10.471   20.000   1
 COH      CONST_11 C3B    C2B    C1B    CHB      180.000    0.000   0
 COH      var_13   C2B    C1B    CHB    C4A      180.000   20.000   1
 COH      var_14   C1B    CHB    C4A    NA         0.000   20.000   1
 COH      var_15   C4C    NC     CO     ND         0.000   20.000   1
 COH      CONST_12 CO     NC     C1C    C2C      180.000    0.000   0
 COH      CONST_13 CO     NC     C4C    C3C      180.000    0.000   0
 COH      CONST_14 NC     C4C    C3C    C2C        0.000    0.000   0
 COH      var_16   C4C    C3C    CAC    CBC      176.266   20.000   1
 COH      CONST_15 C3C    CAC    CBC    HBC1      -0.005    0.000   0
 COH      CONST_16 C4C    C3C    C2C    C1C        0.000    0.000   0
 COH      var_17   C3C    C2C    CMC    HMC1       6.346   20.000   1
 COH      CONST_17 C3C    C2C    C1C    CHC      180.000    0.000   0
 COH      var_18   C2C    C1C    CHC    C4B      180.000   20.000   1
 COH      var_19   C1C    CHC    C4B    NB         0.000   20.000   1
 COH      var_20   C1A    NA     CO     ND         0.000   20.000   1
 COH      CONST_18 CO     NA     C1A    C2A      180.000    0.000   0
 COH      CONST_19 CO     NA     C4A    C3A      180.000    0.000   0
 COH      CONST_20 NA     C4A    C3A    C2A        0.000    0.000   0
 COH      var_21   C4A    C3A    CMA    HMA1       8.260   20.000   1
 COH      CONST_21 C4A    C3A    C2A    CAA      180.000    0.000   0
 COH      CONST_22 C3A    C2A    C1A    CHA      180.000    0.000   0
 COH      var_22   C3A    C2A    CAA    CBA      -74.250   20.000   2
 COH      var_23   C2A    CAA    CBA    CGA      -53.426   20.000   3
 COH      var_24   CAA    CBA    CGA    O2A      107.075   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
 COH      chir_01  CO     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
 COH      plan-1    CHA       0.020
 COH      plan-1    C1A       0.020
 COH      plan-1    C4D       0.020
 COH      plan-1    HHA       0.020
 COH      plan-2    CHB       0.020
 COH      plan-2    C4A       0.020
 COH      plan-2    C1B       0.020
 COH      plan-2    HHB       0.020
 COH      plan-3    CHC       0.020
 COH      plan-3    C4B       0.020
 COH      plan-3    C1C       0.020
 COH      plan-3    HHC       0.020
 COH      plan-4    CHD       0.020
 COH      plan-4    C4C       0.020
 COH      plan-4    C1D       0.020
 COH      plan-4    HHD       0.020
 COH      plan-5    NA        0.020
 COH      plan-5    CO        0.020
 COH      plan-5    C1A       0.020
 COH      plan-5    C4A       0.020
 COH      plan-5    C2A       0.020
 COH      plan-5    C3A       0.020
 COH      plan-5    CHA       0.020
 COH      plan-5    CAA       0.020
 COH      plan-5    CMA       0.020
 COH      plan-5    CHB       0.020
 COH      plan-5    HHA       0.020
 COH      plan-5    HHB       0.020
 COH      plan-6    CGA       0.020
 COH      plan-6    CBA       0.020
 COH      plan-6    O1A       0.020
 COH      plan-6    O2A       0.020
 COH      plan-7    NB        0.020
 COH      plan-7    CO        0.020
 COH      plan-7    C1B       0.020
 COH      plan-7    C4B       0.020
 COH      plan-7    C2B       0.020
 COH      plan-7    C3B       0.020
 COH      plan-7    CHB       0.020
 COH      plan-7    CMB       0.020
 COH      plan-7    CAB       0.020
 COH      plan-7    CHC       0.020
 COH      plan-7    HHB       0.020
 COH      plan-7    HAB       0.020
 COH      plan-7    HHC       0.020
 COH      plan-8    CAB       0.020
 COH      plan-8    C3B       0.020
 COH      plan-8    CBB       0.020
 COH      plan-8    HAB       0.020
 COH      plan-8    HBB1      0.020
 COH      plan-8    HBB2      0.020
 COH      plan-9    NC        0.020
 COH      plan-9    CO        0.020
 COH      plan-9    C1C       0.020
 COH      plan-9    C4C       0.020
 COH      plan-9    C2C       0.020
 COH      plan-9    C3C       0.020
 COH      plan-9    CHC       0.020
 COH      plan-9    CMC       0.020
 COH      plan-9    CAC       0.020
 COH      plan-9    CHD       0.020
 COH      plan-9    HHC       0.020
 COH      plan-9    HAC       0.020
 COH      plan-9    HHD       0.020
 COH      plan-10   CAC       0.020
 COH      plan-10   C3C       0.020
 COH      plan-10   CBC       0.020
 COH      plan-10   HAC       0.020
 COH      plan-10   HBC1      0.020
 COH      plan-10   HBC2      0.020
 COH      plan-11   ND        0.020
 COH      plan-11   CO        0.020
 COH      plan-11   C1D       0.020
 COH      plan-11   C4D       0.020
 COH      plan-11   C2D       0.020
 COH      plan-11   C3D       0.020
 COH      plan-11   CHD       0.020
 COH      plan-11   CMD       0.020
 COH      plan-11   CAD       0.020
 COH      plan-11   CHA       0.020
 COH      plan-11   HHD       0.020
 COH      plan-11   HHA       0.020
 COH      plan-12   CGD       0.020
 COH      plan-12   CBD       0.020
 COH      plan-12   O1D       0.020
 COH      plan-12   O2D       0.020
# ------------------------------------------------------
