# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Mar 12 17:09:05 2022
#   Inital geometry file: a 319 line input string
#   Ligand name: methyl (3S,4S,13R,14E,21R)-9-acetyl-14-ethylidene-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COC(=O)[C@H]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=C/C)/[C@H]6C)c(C(C)=O)c5C)[C@@H](C)[C@@H]4CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
#
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
_chem_comp.initial_date
_chem_comp.modified_date
_chem_comp.source
 BPB  BPB  'methyl (3S,4S,13R,14E,21R)-9-acetyl-14-ethylidene-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylate'  ligand  139  65  .  2010-03-02  2022-03-15
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_BPB
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 BPB  C1    C  CH2   0  -0.232  135.3960  52.5940    0.5702
 BPB  C2    C  C1    0  -0.327  136.0423  52.1437   -0.6932
 BPB  C3    C  C     0   0.140  136.0152  50.9185   -1.2255
 BPB  C4    C  CH3   0  -0.735  135.2480  49.7564   -0.6704
 BPB  C5    C  CH2   0  -0.490  136.8429  50.6180   -2.4474
 BPB  C6    C  CH2   0  -0.447  136.0764  49.9964   -3.6162
 BPB  C7    C  CH2   0  -0.392  134.9381  50.8705   -4.1286
 BPB  C8    C  CH1   0  -0.227  134.3530  50.4345   -5.4757
 BPB  C9    C  CH3   0  -0.658  133.3311  51.4650   -5.9488
 BPB  NA    N  N     0  -0.500  130.2287  58.4110    2.9947
 BPB  NB    N  NR15  0  -0.799  127.7742  58.5307    4.6091
 BPB  NC    N  N     0  -0.543  128.8786  60.8065    6.3134
 BPB  ND    N  NR15  0  -0.779  131.1689  60.7218    4.7415
 BPB  C10   C  CH2   0  -0.406  133.7543  49.0268   -5.4230
 BPB  C11   C  CH2   0  -0.424  133.3521  48.4580   -6.7814
 BPB  C12   C  CH2   0  -0.397  132.8411  47.0242   -6.6838
 BPB  C13   C  CH1   0  -0.226  132.4304  46.3893   -8.0173
 BPB  C14   C  CH3   0  -0.660  131.6291  45.1152   -7.7616
 BPB  C15   C  CH2   0  -0.404  133.6465  46.1167   -8.9068
 BPB  C16   C  CH2   0  -0.425  133.3138  45.6949  -10.3337
 BPB  C17   C  CH2   0  -0.391  134.5637  45.4612  -11.1753
 BPB  C18   C  CH1   0  -0.230  134.3033  45.1529  -12.6506
 BPB  C19   C  CH3   0  -0.655  133.5090  43.8644  -12.8426
 BPB  C1A   C  CR5   0   0.351  131.4482  58.5444    2.4107
 BPB  O1A   O  O     0  -0.448  134.1824  54.1043    2.4114
 BPB  C1B   C  CR5   0   0.429  127.4726  57.5260    3.7383
 BPB  C1C   C  C     0   0.344  127.6985  60.6398    6.8669
 BPB  C1D   C  CR5   0   0.376  131.5785  61.7724    5.5367
 BPB  C20   C  CH3   0  -0.648  135.6214  45.0776  -13.4149
 BPB  C2A   C  CR15  0  -0.364  131.6866  57.4917    1.3526
 BPB  O2A   O  O2    0  -0.458  134.5084  53.6809    0.2441
 BPB  C2B   C  CR5   0   0.061  126.1524  57.0589    4.0796
 BPB  C2C   C  CH1   0  -0.402  127.4166  61.6286    7.9777
 BPB  C2D   C  CR5   0  -0.030  132.8546  62.1844    5.1045
 BPB  C3A   C  CR15  0  -0.323  130.2666  56.9402    1.1441
 BPB  C3B   C  CR5   0  -0.144  125.7102  57.8232    5.1280
 BPB  C3C   C  C     0   0.108  128.7542  62.3088    8.0973
 BPB  C3D   C  CR55  0  -0.068  133.1744  61.3345    4.0384
 BPB  C4A   C  CR5   0   0.362  129.5483  57.4818    2.3588
 BPB  C4B   C  CR5   0   0.475  126.7493  58.7690    5.4740
 BPB  C4C   C  C     0   0.342  129.5495  61.8127    6.9614
 BPB  C4D   C  CR55  0   0.353  132.1149  60.4457    3.8433
 BPB  CAA   C  CH2   0  -0.421  132.6700  56.4303    1.8547
 BPB  CAB   C  C     0   0.326  124.3707  57.6813    5.7420
 BPB  CAC   C  C1    0  -0.329  129.1489  63.1556    9.0495
 BPB  CAD   C  CR5   0   0.331  134.1980  61.0504    3.0621
 BPB  CBA   C  CH2   0  -0.585  133.0518  55.4447    0.7613
 BPB  CBB   C  CH3   0  -0.816  123.6255  58.9112    6.1894
 BPB  OBB   O  O     0  -0.383  123.8669  56.5812    5.8312
 BPB  CBC   C  CH3   0  -0.714  128.3308  63.5956   10.2168
 BPB  CBD   C  CR15  0  -0.635  133.6913  59.8237    2.2408
 BPB  OBD   O  O     0  -0.388  135.2505  61.6085    2.8496
 BPB  CED   C  CH3   0  -0.426  132.6696  61.5361   -0.8523
 BPB  CGA   C  C     0   0.604  133.9688  54.3553    1.2513
 BPB  CGD   C  C     0   0.606  133.7084  60.1917    0.7756
 BPB  CHA   C  CR5   0  -0.034  132.3174  59.5190    2.8037
 BPB  CHB   C  C1    0  -0.503  128.2616  57.0498    2.7166
 BPB  CHC   C  C1    0  -0.500  126.7262  59.6959    6.4918
 BPB  CHD   C  C1    0  -0.519  130.7886  62.2688    6.5922
 BPB  CMA   C  CH3   0  -0.652  129.6139  57.4403   -0.1432
 BPB  CMC   C  CH3   0  -0.648  126.2925  62.5919    7.5815
 BPB  CMD   C  CH3   0  -0.756  133.6892  63.2695    5.6876
 BPB  H1    H  HCH2  0   0.244  134.8353  51.8034    1.0696
 BPB  H1A   H  HCH2  0   0.242  136.1566  52.9508    1.2698
 BPB  H2    H  H     0   0.238  136.6447  52.8999   -1.1900
 BPB  H4    H  HCH3  0   0.242  135.9158  48.9092   -0.4982
 BPB  H4A   H  HCH3  0   0.245  134.7366  49.9725    0.2643
 BPB  H4B   H  HCH3  0   0.246  134.4946  49.4156   -1.3843
 BPB  H5    H  HCH2  0   0.232  137.3365  51.5326   -2.7863
 BPB  H5A   H  HCH2  0   0.240  137.6408  49.9255   -2.1550
 BPB  H6    H  HCH2  0   0.226  136.7905  49.8224   -4.4273
 BPB  H6A   H  HCH2  0   0.223  135.7064  49.0091   -3.3299
 BPB  H7    H  HCH2  0   0.208  134.1358  50.9179   -3.3821
 BPB  H7A   H  HCH2  0   0.212  135.3076  51.8972   -4.2317
 BPB  H8    H  HCH1  0   0.202  135.1806  50.4181   -6.1979
 BPB  H9    H  HCH3  0   0.227  132.9435  51.2396   -6.9426
 BPB  H9A   H  HCH3  0   0.210  132.4805  51.5068   -5.2637
 BPB  H9B   H  HCH3  0   0.223  133.7708  52.4632   -5.9897
 BPB  H171  H  HNR5  0   0.445  128.6591  59.0124    4.6112
 BPB  H181  H  HNR5  0   0.443  130.2760  60.2697    4.8692
 BPB  H10   H  HCH2  0   0.220  134.4772  48.3392   -4.9743
 BPB  H10A  H  HCH2  0   0.201  132.8854  49.0307   -4.7534
 BPB  H11   H  HCH2  0   0.211  132.5750  49.0773   -7.2389
 BPB  H11A  H  HCH2  0   0.210  134.2165  48.5121   -7.4510
 BPB  H12   H  HCH2  0   0.201  133.6019  46.3921   -6.2100
 BPB  H12A  H  HCH2  0   0.211  131.9787  47.0112   -6.0084
 BPB  H13   H  HCH1  0   0.201  131.7794  47.1028   -8.5405
 BPB  H14   H  HCH3  0   0.227  131.2676  44.6593   -8.6837
 BPB  H14A  H  HCH3  0   0.210  132.2411  44.3715   -7.2445
 BPB  H14B  H  HCH3  0   0.223  130.7580  45.3179   -7.1363
 BPB  H15   H  HCH2  0   0.218  134.2712  47.0138   -8.9524
 BPB  H15A  H  HCH2  0   0.201  134.2630  45.3435   -8.4314
 BPB  H16   H  HCH2  0   0.217  132.7029  44.7890  -10.3234
 BPB  H16A  H  HCH2  0   0.203  132.6998  46.4719  -10.8040
 BPB  H17   H  HCH2  0   0.210  135.2016  46.3498  -11.1113
 BPB  H17A  H  HCH2  0   0.201  135.1460  44.6405  -10.7384
 BPB  H18   H  HCH1  0   0.206  133.7162  45.9806  -13.0672
 BPB  H19   H  HCH3  0   0.223  133.3591  43.6511  -13.9025
 BPB  H19A  H  HCH3  0   0.209  134.0415  43.0146  -12.4075
 BPB  H19B  H  HCH3  0   0.226  132.5238  43.9111  -12.3780
 BPB  H20   H  HCH3  0   0.222  135.4568  44.8981  -14.4788
 BPB  H20A  H  HCH3  0   0.221  136.1947  46.0016  -13.3181
 BPB  H20B  H  HCH3  0   0.210  136.2422  44.2625  -13.0347
 BPB  H42   H  HCR5  0   0.271  132.0753  57.9317    0.4283
 BPB  H43   H  HCH1  0   0.281  127.1343  61.1068    8.8975
 BPB  H44   H  HCR5  0   0.270  130.2476  55.8466    1.1466
 BPB  HAA   H  HCH2  0   0.256  133.5746  56.9135    2.2294
 BPB  HAAA  H  HCH2  0   0.245  132.2255  55.9050    2.7034
 BPB  HAC   H  H     0   0.241  130.1526  63.5673    8.9976
 BPB  HBA   H  HCH2  0   0.285  132.1635  54.9594    0.3423
 BPB  HBAA  H  HCH2  0   0.274  133.5237  55.9671   -0.0750
 BPB  HBB   H  HCH3  0   0.283  122.5592  58.7674    6.0204
 BPB  HBBA  H  HCH3  0   0.278  123.7616  59.0598    7.2635
 BPB  HBBB  H  HCH3  0   0.263  123.9522  59.8157    5.6805
 BPB  HBC   H  HCH3  0   0.246  128.9123  63.5310   11.1382
 BPB  HBCA  H  HCH3  0   0.246  128.0306  64.6417   10.1146
 BPB  H55   H  HCH3  0   0.243  127.4268  63.0026   10.3462
 BPB  HBD   H  HCR5  0   0.330  134.3951  59.0002    2.3896
 BPB  HED   H  HCH3  0   0.253  131.8409  62.2373   -0.8690
 BPB  HEDA  H  HCH3  0   0.241  133.5829  62.0465   -1.1565
 BPB  HEDB  H  HCH3  0   0.242  132.4654  60.7186   -1.5434
 BPB  HHB   H  H     0   0.272  127.8417  56.2530    2.1173
 BPB  HHC   H  H     0   0.276  125.8319  59.7070    7.0967
 BPB  HHD   H  H     0   0.262  131.2138  63.0849    7.1619
 BPB  HMA   H  HCH3  0   0.240  128.5821  57.0977   -0.2276
 BPB  HMAA  H  HCH3  0   0.231  129.6122  58.5309   -0.1847
 BPB  HMAB  H  HCH3  0   0.243  130.1602  57.0713   -1.0119
 BPB  HMB   H  HCH3  0   0.263  125.6407  55.0008    3.8485
 BPB  HMBA  H  HCH3  0   0.261  124.3737  56.1080    3.3508
 BPB  HMBB  H  HCH3  0   0.251  125.7886  55.8764    2.3327
 BPB  HMC   H  HCH3  0   0.248  126.1406  63.3455    8.3535
 BPB  HMCA  H  HCH3  0   0.232  126.5339  63.1058    6.6506
 BPB  HMCB  H  HCH3  0   0.240  125.3496  62.0617    7.4434
 BPB  HMD   H  HCH3  0   0.253  134.3923  62.8725    6.4229
 BPB  HMDA  H  HCH3  0   0.252  134.2765  63.7662    4.9166
 BPB  HMDB  H  HCH3  0   0.249  133.0871  64.0266    6.1880
 BPB  CMB   C  CH3   0  -0.743  125.4506  55.9599    3.3639
 BPB  O1D   O  O     0  -0.430  134.5041  59.7718   -0.0236
 BPB  O2D   O  O2    0  -0.440  132.7585  61.0675    0.4938

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
_chem_comp_bond.value_dist_neutron
 BPB  C2   C1    single    1.489  0.020  1.489
 BPB  C3   C2    double    1.336  0.020  1.336
 BPB  C3   C4    single    1.499  0.020  1.499
 BPB  C5   C3    single    1.506  0.020  1.506
 BPB  C6   C5    single    1.530  0.020  1.530
 BPB  C7   C6    single    1.524  0.020  1.524
 BPB  C8   C7    single    1.532  0.020  1.532
 BPB  C9   C8    single    1.526  0.020  1.526
 BPB  NB   C4B   aromatic  1.362  0.020  1.362
 BPB  NC   C1C   aromatic  1.314  0.020  1.314
 BPB  NC   C4C   aromatic  1.372  0.020  1.372
 BPB  ND   C1D   aromatic  1.380  0.020  1.380
 BPB  C10  C8    single    1.531  0.020  1.531
 BPB  C11  C10   single    1.527  0.020  1.527
 BPB  C11  C12   single    1.525  0.020  1.525
 BPB  C13  C12   single    1.533  0.020  1.533
 BPB  C13  C14   single    1.527  0.020  1.527
 BPB  C15  C13   single    1.531  0.020  1.531
 BPB  C16  C15   single    1.525  0.020  1.525
 BPB  C17  C16   single    1.525  0.020  1.525
 BPB  C18  C17   single    1.530  0.020  1.530
 BPB  C19  C18   single    1.526  0.020  1.526
 BPB  C1A  NA    aromatic  1.359  0.020  1.359
 BPB  C1A  CHA   aromatic  1.364  0.020  1.364
 BPB  C1B  NB    aromatic  1.363  0.020  1.363
 BPB  C1B  C2B   aromatic  1.441  0.020  1.441
 BPB  C1C  C2C   single    1.514  0.020  1.514
 BPB  C1D  CHD   aromatic  1.409  0.020  1.409
 BPB  O1D  CGD   double    1.203  0.020  1.203
 BPB  C20  C18   single    1.526  0.020  1.526
 BPB  C2A  C1A   single    1.511  0.020  1.511
 BPB  C2A  CAA   single    1.532  0.020  1.532
 BPB  O2A  C1    single    1.441  0.020  1.441
 BPB  O2A  CGA   single    1.327  0.020  1.327
 BPB  C2B  C3B   aromatic  1.371  0.020  1.371
 BPB  C2C  CMC   single    1.532  0.020  1.532
 BPB  C2D  C1D   aromatic  1.409  0.020  1.409
 BPB  C2D  CMD   single    1.488  0.020  1.488
 BPB  O2D  CGD   single    1.322  0.020  1.322
 BPB  C3A  C2A   single    1.538  0.020  1.538
 BPB  C3A  C4A   single    1.512  0.020  1.512
 BPB  C3B  C4B   aromatic  1.447  0.020  1.447
 BPB  C3B  CAB   single    1.480  0.020  1.480
 BPB  C3C  C2C   single    1.505  0.020  1.505
 BPB  C3C  CAC   double    1.334  0.020  1.334
 BPB  C3D  C2D   aromatic  1.400  0.020  1.400
 BPB  C4A  NA    aromatic  1.316  0.020  1.316
 BPB  C4A  CHB   aromatic  1.404  0.020  1.404
 BPB  C4B  CHC   aromatic  1.377  0.020  1.377
 BPB  C4C  C3C   single    1.473  0.020  1.473
 BPB  C4D  ND    aromatic  1.333  0.020  1.333
 BPB  C4D  C3D   aromatic  1.397  0.020  1.397
 BPB  CAB  CBB   single    1.506  0.020  1.506
 BPB  CAB  OBB   double    1.213  0.020  1.213
 BPB  CAC  CBC   single    1.492  0.020  1.492
 BPB  CAD  C3D   single    1.443  0.020  1.443
 BPB  CBA  CAA   single    1.521  0.020  1.521
 BPB  CBA  CGA   single    1.506  0.020  1.506
 BPB  CBD  CAD   single    1.561  0.020  1.561
 BPB  CBD  CHA   single    1.516  0.020  1.516
 BPB  OBD  CAD   double    1.210  0.020  1.210
 BPB  CED  O2D   single    1.428  0.020  1.428
 BPB  CGA  O1A   double    1.206  0.020  1.206
 BPB  CGD  CBD   single    1.511  0.020  1.511
 BPB  CHA  C4D   aromatic  1.407  0.020  1.407
 BPB  CHB  C1B   aromatic  1.376  0.020  1.376
 BPB  CHC  C1C   aromatic  1.406  0.020  1.406
 BPB  CHD  C4C   aromatic  1.371  0.020  1.371
 BPB  CMA  C3A   single    1.527  0.020  1.527
 BPB  CMB  C2B   single    1.487  0.020  1.487
 BPB  C1   H1    single    0.970  0.020  1.090
 BPB  C1   H1A   single    0.970  0.020  1.090
 BPB  C2   H2    single    0.930  0.020  1.080
 BPB  C4   H4    single    0.970  0.020  1.090
 BPB  C4   H4A   single    0.970  0.020  1.090
 BPB  C4   H4B   single    0.970  0.020  1.090
 BPB  C5   H5    single    0.970  0.020  1.090
 BPB  C5   H5A   single    0.970  0.020  1.090
 BPB  C6   H6    single    0.970  0.020  1.090
 BPB  C6   H6A   single    0.970  0.020  1.090
 BPB  C7   H7    single    0.970  0.020  1.090
 BPB  C7   H7A   single    0.970  0.020  1.090
 BPB  C8   H8    single    0.970  0.020  1.090
 BPB  C9   H9    single    0.970  0.020  1.090
 BPB  C9   H9A   single    0.970  0.020  1.090
 BPB  C9   H9B   single    0.970  0.020  1.090
 BPB  NB   H171  single    0.860  0.020  1.020
 BPB  ND   H181  single    0.860  0.020  1.020
 BPB  C10  H10   single    0.970  0.020  1.090
 BPB  C10  H10A  single    0.970  0.020  1.090
 BPB  C11  H11   single    0.970  0.020  1.090
 BPB  C11  H11A  single    0.970  0.020  1.090
 BPB  C12  H12   single    0.970  0.020  1.090
 BPB  C12  H12A  single    0.970  0.020  1.090
 BPB  C13  H13   single    0.970  0.020  1.090
 BPB  C14  H14   single    0.970  0.020  1.090
 BPB  C14  H14A  single    0.970  0.020  1.090
 BPB  C14  H14B  single    0.970  0.020  1.090
 BPB  C15  H15   single    0.970  0.020  1.090
 BPB  C15  H15A  single    0.970  0.020  1.090
 BPB  C16  H16   single    0.970  0.020  1.090
 BPB  C16  H16A  single    0.970  0.020  1.090
 BPB  C17  H17   single    0.970  0.020  1.090
 BPB  C17  H17A  single    0.970  0.020  1.090
 BPB  C18  H18   single    0.970  0.020  1.090
 BPB  C19  H19   single    0.970  0.020  1.090
 BPB  C19  H19A  single    0.970  0.020  1.090
 BPB  C19  H19B  single    0.970  0.020  1.090
 BPB  C20  H20   single    0.970  0.020  1.090
 BPB  C20  H20A  single    0.970  0.020  1.090
 BPB  C20  H20B  single    0.970  0.020  1.090
 BPB  C2A  H42   single    0.970  0.020  1.090
 BPB  C2C  H43   single    0.970  0.020  1.090
 BPB  C3A  H44   single    0.970  0.020  1.090
 BPB  CAA  HAA   single    0.970  0.020  1.090
 BPB  CAA  HAAA  single    0.970  0.020  1.090
 BPB  CAC  HAC   single    0.930  0.020  1.080
 BPB  CBA  HBA   single    0.970  0.020  1.090
 BPB  CBA  HBAA  single    0.970  0.020  1.090
 BPB  CBB  HBB   single    0.970  0.020  1.090
 BPB  CBB  HBBA  single    0.970  0.020  1.090
 BPB  CBB  HBBB  single    0.970  0.020  1.090
 BPB  CBC  HBC   single    0.970  0.020  1.090
 BPB  CBC  HBCA  single    0.970  0.020  1.090
 BPB  CBC  H55   single    0.970  0.020  1.090
 BPB  CBD  HBD   single    0.970  0.020  1.090
 BPB  CED  HED   single    0.970  0.020  1.090
 BPB  CED  HEDA  single    0.970  0.020  1.090
 BPB  CED  HEDB  single    0.970  0.020  1.090
 BPB  CHB  HHB   single    0.930  0.020  1.080
 BPB  CHC  HHC   single    0.930  0.020  1.080
 BPB  CHD  HHD   single    0.930  0.020  1.080
 BPB  CMA  HMA   single    0.970  0.020  1.090
 BPB  CMA  HMAA  single    0.970  0.020  1.090
 BPB  CMA  HMAB  single    0.970  0.020  1.090
 BPB  CMB  HMB   single    0.970  0.020  1.090
 BPB  CMB  HMBA  single    0.970  0.020  1.090
 BPB  CMB  HMBB  single    0.970  0.020  1.090
 BPB  CMC  HMC   single    0.970  0.020  1.090
 BPB  CMC  HMCA  single    0.970  0.020  1.090
 BPB  CMC  HMCB  single    0.970  0.020  1.090
 BPB  CMD  HMD   single    0.970  0.020  1.090
 BPB  CMD  HMDA  single    0.970  0.020  1.090
 BPB  CMD  HMDB  single    0.970  0.020  1.090

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
 BPB  H1A   C1   H1    107.53  3.000
 BPB  H1A   C1   O2A   109.10  3.000
 BPB  H1    C1   O2A   109.51  3.000
 BPB  H1A   C1   C2    109.86  3.000
 BPB  H1    C1   C2    113.12  3.000
 BPB  O2A   C1   C2    107.67  3.000
 BPB  H2    C2   C3    117.85  3.000
 BPB  H2    C2   C1    114.71  3.000
 BPB  C3    C2   C1    127.34  3.000
 BPB  C5    C3   C4    115.27  3.000
 BPB  C5    C3   C2    119.67  3.000
 BPB  C4    C3   C2    125.02  3.000
 BPB  H4B   C4   H4A   107.42  3.000
 BPB  H4B   C4   H4    106.42  3.000
 BPB  H4A   C4   H4    107.83  3.000
 BPB  H4B   C4   C3    110.67  3.000
 BPB  H4A   C4   C3    113.89  3.000
 BPB  H4    C4   C3    110.29  3.000
 BPB  H5A   C5   H5    106.41  3.000
 BPB  H5A   C5   C6    108.17  3.000
 BPB  H5    C5   C6    109.23  3.000
 BPB  H5A   C5   C3    108.04  3.000
 BPB  H5    C5   C3    109.43  3.000
 BPB  C6    C5   C3    115.19  3.000
 BPB  H6A   C6   H6    105.75  3.000
 BPB  H6A   C6   C7    110.70  3.000
 BPB  H6    C6   C7    109.23  3.000
 BPB  H6A   C6   C5    109.67  3.000
 BPB  H6    C6   C5    107.69  3.000
 BPB  C7    C6   C5    113.46  3.000
 BPB  H7A   C7   H7    105.67  3.000
 BPB  H7A   C7   C8    108.22  3.000
 BPB  H7    C7   C8    109.35  3.000
 BPB  H7A   C7   C6    108.48  3.000
 BPB  H7    C7   C6    110.02  3.000
 BPB  C8    C7   C6    114.69  3.000
 BPB  H8    C8   C10   107.67  3.000
 BPB  H8    C8   C9    108.10  3.000
 BPB  C10   C8   C9    111.70  3.000
 BPB  H8    C8   C7    107.13  3.000
 BPB  C10   C8   C7    112.39  3.000
 BPB  C9    C8   C7    109.64  3.000
 BPB  H9B   C9   H9A   107.58  3.000
 BPB  H9B   C9   H9    107.34  3.000
 BPB  H9A   C9   H9    107.61  3.000
 BPB  H9B   C9   C8    111.06  3.000
 BPB  H9A   C9   C8    110.64  3.000
 BPB  H9    C9   C8    112.39  3.000
 BPB  C4A   NA   C1A   109.01  3.000
 BPB  H171  NB   C4B   125.17  3.000
 BPB  H171  NB   C1B   123.23  3.000
 BPB  C4B   NB   C1B   111.60  3.000
 BPB  C4C   NC   C1C   109.47  3.000
 BPB  H181  ND   C4D   128.35  3.000
 BPB  H181  ND   C1D   122.07  3.000
 BPB  C4D   ND   C1D   109.59  3.000
 BPB  H10A  C10  H10   105.98  3.000
 BPB  H10A  C10  C11   109.62  3.000
 BPB  H10   C10  C11   107.75  3.000
 BPB  H10A  C10  C8    109.12  3.000
 BPB  H10   C10  C8    109.49  3.000
 BPB  C11   C10  C8    114.53  3.000
 BPB  H11A  C11  H11   106.09  3.000
 BPB  H11A  C11  C12   110.49  3.000
 BPB  H11   C11  C12   108.72  3.000
 BPB  H11A  C11  C10   108.53  3.000
 BPB  H11   C11  C10   110.39  3.000
 BPB  C12   C11  C10   112.43  3.000
 BPB  H12A  C12  H12   105.84  3.000
 BPB  H12A  C12  C13   108.70  3.000
 BPB  H12   C12  C13   108.84  3.000
 BPB  H12A  C12  C11   108.32  3.000
 BPB  H12   C12  C11   109.69  3.000
 BPB  C13   C12  C11   115.05  3.000
 BPB  H13   C13  C15   108.04  3.000
 BPB  H13   C13  C14   108.11  3.000
 BPB  C15   C13  C14   111.44  3.000
 BPB  H13   C13  C12   107.71  3.000
 BPB  C15   C13  C12   111.49  3.000
 BPB  C14   C13  C12   109.91  3.000
 BPB  H14B  C14  H14A  107.59  3.000
 BPB  H14B  C14  H14   107.31  3.000
 BPB  H14A  C14  H14   107.53  3.000
 BPB  H14B  C14  C13   111.09  3.000
 BPB  H14A  C14  C13   110.68  3.000
 BPB  H14   C14  C13   112.41  3.000
 BPB  H15A  C15  H15   105.96  3.000
 BPB  H15A  C15  C16   109.46  3.000
 BPB  H15   C15  C16   108.21  3.000
 BPB  H15A  C15  C13   108.66  3.000
 BPB  H15   C15  C13   109.37  3.000
 BPB  C16   C15  C13   114.81  3.000
 BPB  H16A  C16  H16   106.18  3.000
 BPB  H16A  C16  C17   109.33  3.000
 BPB  H16   C16  C17   109.65  3.000
 BPB  H16A  C16  C15   109.13  3.000
 BPB  H16   C16  C15   110.03  3.000
 BPB  C17   C16  C15   112.33  3.000
 BPB  H17A  C17  H17   105.93  3.000
 BPB  H17A  C17  C18   108.89  3.000
 BPB  H17   C17  C18   108.60  3.000
 BPB  H17A  C17  C16   109.27  3.000
 BPB  H17   C17  C16   108.70  3.000
 BPB  C18   C17  C16   115.07  3.000
 BPB  H18   C18  C20   108.03  3.000
 BPB  H18   C18  C19   108.11  3.000
 BPB  C20   C18  C19   110.19  3.000
 BPB  H18   C18  C17   107.78  3.000
 BPB  C20   C18  C17   110.25  3.000
 BPB  C19   C18  C17   112.34  3.000
 BPB  H19B  C19  H19A  107.69  3.000
 BPB  H19B  C19  H19   107.34  3.000
 BPB  H19A  C19  H19   107.54  3.000
 BPB  H19B  C19  C18   112.38  3.000
 BPB  H19A  C19  C18   110.66  3.000
 BPB  H19   C19  C18   111.02  3.000
 BPB  CHA   C1A  C2A   126.79  3.000
 BPB  C2A   C1A  NA    111.97  3.000
 BPB  CHA   C1A  NA    121.22  3.000
 BPB  CHB   C1B  C2B   126.08  3.000
 BPB  CHB   C1B  NB    127.05  3.000
 BPB  C2B   C1B  NB    106.87  3.000
 BPB  CHC   C1C  C2C   120.36  3.000
 BPB  CHC   C1C  NC    126.43  3.000
 BPB  C2C   C1C  NC    113.17  3.000
 BPB  CHD   C1D  C2D   129.40  3.000
 BPB  C2D   C1D  ND    108.34  3.000
 BPB  CHD   C1D  ND    122.25  3.000
 BPB  H20B  C20  H20A  107.58  3.000
 BPB  H20B  C20  H20   107.58  3.000
 BPB  H20A  C20  H20   107.75  3.000
 BPB  H20B  C20  C18   110.70  3.000
 BPB  H20A  C20  C18   111.57  3.000
 BPB  H20   C20  C18   111.48  3.000
 BPB  H42   C2A  CAA   109.11  3.000
 BPB  H42   C2A  C3A   110.95  3.000
 BPB  CAA   C2A  C3A   112.88  3.000
 BPB  H42   C2A  C1A   111.54  3.000
 BPB  C3A   C2A  C1A   101.48  3.000
 BPB  CAA   C2A  C1A   110.76  3.000
 BPB  CGA   O2A  C1    117.53  3.000
 BPB  CMB   C2B  C3B   128.89  3.000
 BPB  CMB   C2B  C1B   123.89  3.000
 BPB  C3B   C2B  C1B   107.21  3.000
 BPB  H43   C2C  CMC   109.14  3.000
 BPB  H43   C2C  C3C   112.20  3.000
 BPB  CMC   C2C  C3C   112.85  3.000
 BPB  H43   C2C  C1C   110.69  3.000
 BPB  C3C   C2C  C1C   100.83  3.000
 BPB  CMC   C2C  C1C   110.95  3.000
 BPB  CMD   C2D  C3D   127.79  3.000
 BPB  C3D   C2D  C1D   105.24  3.000
 BPB  CMD   C2D  C1D   126.95  3.000
 BPB  H44   C3A  CMA   108.78  3.000
 BPB  H44   C3A  C4A   110.38  3.000
 BPB  CMA   C3A  C4A   110.91  3.000
 BPB  H44   C3A  C2A   111.98  3.000
 BPB  CMA   C3A  C2A   113.05  3.000
 BPB  C4A   C3A  C2A   101.61  3.000
 BPB  CAB   C3B  C4B   127.82  3.000
 BPB  CAB   C3B  C2B   123.76  3.000
 BPB  C4B   C3B  C2B   108.40  3.000
 BPB  CAC   C3C  C4C   127.19  3.000
 BPB  C4C   C3C  C2C   105.45  3.000
 BPB  CAC   C3C  C2C   127.33  3.000
 BPB  CAD   C3D  C4D   108.56  3.000
 BPB  CAD   C3D  C2D   142.81  3.000
 BPB  C4D   C3D  C2D   108.62  3.000
 BPB  CHB   C4A  C3A   122.01  3.000
 BPB  CHB   C4A  NA    124.63  3.000
 BPB  C3A   C4A  NA    113.32  3.000
 BPB  CHC   C4B  C3B   127.21  3.000
 BPB  CHC   C4B  NB    126.86  3.000
 BPB  C3B   C4B  NB    105.91  3.000
 BPB  CHD   C4C  C3C   125.71  3.000
 BPB  CHD   C4C  NC    123.97  3.000
 BPB  C3C   C4C  NC    110.32  3.000
 BPB  CHA   C4D  C3D   114.40  3.000
 BPB  CHA   C4D  ND    137.39  3.000
 BPB  C3D   C4D  ND    108.20  3.000
 BPB  HAAA  CAA  HAA   106.45  3.000
 BPB  HAAA  CAA  CBA   110.43  3.000
 BPB  HAA   CAA  CBA   109.00  3.000
 BPB  HAAA  CAA  C2A   109.07  3.000
 BPB  HAA   CAA  C2A   109.74  3.000
 BPB  CBA   CAA  C2A   112.00  3.000
 BPB  OBB   CAB  CBB   120.87  3.000
 BPB  OBB   CAB  C3B   119.55  3.000
 BPB  CBB   CAB  C3B   119.52  3.000
 BPB  HAC   CAC  CBC   115.62  3.000
 BPB  HAC   CAC  C3C   118.69  3.000
 BPB  CBC   CAC  C3C   125.69  3.000
 BPB  OBD   CAD  CBD   123.53  3.000
 BPB  OBD   CAD  C3D   130.17  3.000
 BPB  CBD   CAD  C3D   106.29  3.000
 BPB  HBAA  CBA  HBA   105.61  3.000
 BPB  HBAA  CBA  CGA   109.38  3.000
 BPB  HBA   CBA  CGA   107.32  3.000
 BPB  HBAA  CBA  CAA   110.41  3.000
 BPB  HBA   CBA  CAA   111.01  3.000
 BPB  CGA   CBA  CAA   112.81  3.000
 BPB  HBBB  CBB  HBBA  108.02  3.000
 BPB  HBBB  CBB  HBB   109.33  3.000
 BPB  HBBA  CBB  HBB   107.00  3.000
 BPB  HBBB  CBB  CAB   113.04  3.000
 BPB  HBBA  CBB  CAB   109.96  3.000
 BPB  HBB   CBB  CAB   109.30  3.000
 BPB  H55   CBC  HBCA  107.71  3.000
 BPB  H55   CBC  HBC   108.05  3.000
 BPB  HBCA  CBC  HBC   106.37  3.000
 BPB  H55   CBC  CAC   112.81  3.000
 BPB  HBCA  CBC  CAC   111.08  3.000
 BPB  HBC   CBC  CAC   110.54  3.000
 BPB  HBD   CBD  CHA   112.42  3.000
 BPB  HBD   CBD  CGD   107.95  3.000
 BPB  CHA   CBD  CGD   114.79  3.000
 BPB  HBD   CBD  CAD   108.15  3.000
 BPB  CGD   CBD  CAD   108.38  3.000
 BPB  CHA   CBD  CAD   104.88  3.000
 BPB  HEDB  CED  HEDA  109.35  3.000
 BPB  HEDB  CED  HED   109.37  3.000
 BPB  HEDA  CED  HED   109.45  3.000
 BPB  HEDB  CED  O2D   111.30  3.000
 BPB  HEDA  CED  O2D   111.39  3.000
 BPB  HED   CED  O2D   105.90  3.000
 BPB  CBA   CGA  O2A   111.61  3.000
 BPB  CBA   CGA  O1A   124.85  3.000
 BPB  O2A   CGA  O1A   123.54  3.000
 BPB  CBD   CGD  O2D   111.09  3.000
 BPB  CBD   CGD  O1D   124.51  3.000
 BPB  O2D   CGD  O1D   124.37  3.000
 BPB  CBD   CHA  C4D   105.80  3.000
 BPB  C4D   CHA  C1A   126.28  3.000
 BPB  CBD   CHA  C1A   127.91  3.000
 BPB  HHB   CHB  C4A   116.19  3.000
 BPB  HHB   CHB  C1B   116.34  3.000
 BPB  C4A   CHB  C1B   127.47  3.000
 BPB  HHC   CHC  C4B   115.78  3.000
 BPB  HHC   CHC  C1C   114.61  3.000
 BPB  C4B   CHC  C1C   129.61  3.000
 BPB  HHD   CHD  C4C   117.66  3.000
 BPB  HHD   CHD  C1D   116.09  3.000
 BPB  C4C   CHD  C1D   126.25  3.000
 BPB  HMAB  CMA  HMAA  107.97  3.000
 BPB  HMAB  CMA  HMA   107.82  3.000
 BPB  HMAA  CMA  HMA   108.03  3.000
 BPB  HMAB  CMA  C3A   110.27  3.000
 BPB  HMAA  CMA  C3A   111.10  3.000
 BPB  HMA   CMA  C3A   111.52  3.000
 BPB  HMCB  CMC  HMCA  108.20  3.000
 BPB  HMCB  CMC  HMC   107.78  3.000
 BPB  HMCA  CMC  HMC   108.05  3.000
 BPB  HMCB  CMC  C2C   111.18  3.000
 BPB  HMCA  CMC  C2C   110.77  3.000
 BPB  HMC   CMC  C2C   110.73  3.000
 BPB  HMDB  CMD  HMDA  107.84  3.000
 BPB  HMDB  CMD  HMD   107.42  3.000
 BPB  HMDA  CMD  HMD   107.17  3.000
 BPB  HMDB  CMD  C2D   112.14  3.000
 BPB  HMDA  CMD  C2D   110.95  3.000
 BPB  HMD   CMD  C2D   111.09  3.000
 BPB  HMBB  CMB  HMBA  107.86  3.000
 BPB  HMBB  CMB  HMB   107.41  3.000
 BPB  HMBA  CMB  HMB   107.31  3.000
 BPB  HMBB  CMB  C2B   111.47  3.000
 BPB  HMBA  CMB  C2B   111.87  3.000
 BPB  HMB   CMB  C2B   110.70  3.000
 BPB  CGD   O2D  CED   117.57  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
 BPB  CONST_01  C4D   CHA  C1A  NA      0.00   0.0  0
 BPB  CONST_02  C1B   CHB  C4A  NA      0.00   0.0  0
 BPB  CONST_03  C2B   C3B  C4B  NB      0.00   0.0  0
 BPB  CONST_04  C1C   CHC  C4B  NB      0.00   0.0  0
 BPB  CONST_05  C3B   C2B  C1B  NB      0.00   0.0  0
 BPB  CONST_06  C4A   CHB  C1B  NB      0.00   0.0  0
 BPB  CONST_07  C4B   CHC  C1C  NC      0.00   0.0  0
 BPB  CONST_08  C1D   CHD  C4C  NC      0.00   0.0  0
 BPB  CONST_09  C4C   CHD  C1D  ND      0.00   0.0  0
 BPB  CONST_10  C3D   C2D  C1D  ND      0.00   0.0  0
 BPB  CONST_11  C2D   C3D  C4D  ND      0.00   0.0  0
 BPB  CONST_12  C1A   CHA  C4D  ND      0.00   0.0  0
 BPB  CONST_13  CHB   C4A  NA   C1A   180.00   0.0  0
 BPB  CONST_14  C3D   C4D  CHA  C1A   180.00   0.0  0
 BPB  CONST_15  C3B   C4B  NB   C1B     0.00   0.0  0
 BPB  CONST_16  CHC   C4B  NB   C1B   180.00   0.0  0
 BPB  CONST_17  C4B   C3B  C2B  C1B     0.00   0.0  0
 BPB  CONST_18  CHD   C4C  NC   C1C   180.00   0.0  0
 BPB  CONST_19  C3B   C4B  CHC  C1C   180.00   0.0  0
 BPB  CONST_20  C3D   C4D  ND   C1D     0.00   0.0  0
 BPB  CONST_21  CHA   C4D  ND   C1D   180.00   0.0  0
 BPB  CONST_22  C4D   C3D  C2D  C1D     0.00   0.0  0
 BPB  CONST_23  C4B   NB   C1B  C2B     0.00   0.0  0
 BPB  CONST_24  C4A   CHB  C1B  C2B   180.00   0.0  0
 BPB  CONST_25  CHC   C4B  C3B  C2B   180.00   0.0  0
 BPB  CONST_26  C4D   ND   C1D  C2D     0.00   0.0  0
 BPB  CONST_27  C4C   CHD  C1D  C2D   180.00   0.0  0
 BPB  CONST_28  CHA   C4D  C3D  C2D   180.00   0.0  0
 BPB  CONST_29  CHB   C1B  C2B  C3B   180.00   0.0  0
 BPB  CONST_30  CHD   C1D  C2D  C3D   180.00   0.0  0
 BPB  CONST_31  CHA   C1A  NA   C4A   180.00   0.0  0
 BPB  CONST_32  CHB   C1B  NB   C4B   180.00   0.0  0
 BPB  CONST_33  CHC   C1C  NC   C4C   180.00   0.0  0
 BPB  CONST_34  CHD   C1D  ND   C4D   180.00   0.0  0
 BPB  CONST_35  CAB   C3B  C4B  NB    180.00   0.0  0
 BPB  CONST_36  CMB   C2B  C1B  NB    180.00   0.0  0
 BPB  CONST_37  CMD   C2D  C1D  ND    180.00   0.0  0
 BPB  CONST_38  CAB   C3B  C2B  C1B   180.00   0.0  0
 BPB  CONST_39  CMB   C2B  C3B  C4B   180.00   0.0  0
 BPB  CONST_40  CMD   C2D  C3D  C4D   180.00   0.0  0
 BPB  CONST_41  CHC   C4B  C3B  CAB     0.00   0.0  0
 BPB  CONST_42  CMD   C2D  C3D  CAD     0.00   0.0  0
 BPB  CONST_43  CMB   C2B  C1B  CHB     0.00   0.0  0
 BPB  CONST_44  CMD   C2D  C1D  CHD     0.00   0.0  0
 BPB  CONST_45  HHB   CHB  C4A  NA    180.00   0.0  0
 BPB  CONST_46  HHC   CHC  C4B  NB    180.00   0.0  0
 BPB  CONST_47  HHD   CHD  C4C  NC    180.00   0.0  0
 BPB  CONST_48  H171  NB   C1B  C2B   180.00   0.0  0
 BPB  CONST_49  H181  ND   C1D  C2D   180.00   0.0  0
 BPB  Var_01    CBD   CHA  C1A  NA   -178.47  30.0  1
 BPB  Var_02    C2C   C3C  C4C  NC     -7.64  30.0  1
 BPB  Var_03    C3A   C4A  NA   C1A    -4.41  30.0  1
 BPB  Var_04    C3C   C4C  NC   C1C     3.16  30.0  1
 BPB  Var_05    CBD   CAD  C3D  C2D   178.47  30.0  2
 BPB  Var_06    CBC   CAC  C3C  C2C     0.65   0.0  2
 BPB  Var_07    CBB   CAB  C3B  C2B  -141.79  30.0  2
 BPB  Var_08    HMB   CMB  C2B  C1B    92.46  30.0  2
 BPB  Var_09    HMD   CMD  C2D  C1D    94.15  30.0  2
 BPB  Var_10    CGA   CBA  CAA  C2A  -177.35  30.0  1
 BPB  Var_11    HBB   CBB  CAB  C3B   144.82  30.0  3
 BPB  Var_12    HBC   CBC  CAC  C3C   132.93  30.0  3
 BPB  Var_13    C4    C3   C2   C1      3.47   0.0  2
 BPB  Var_14    CBA   CGA  O2A  C1   -179.18  30.0  3
 BPB  Var_15    C6    C5   C3   C2   -127.30  30.0  1
 BPB  Var_16    O2A   C1   C2   C3   -122.32  30.0  3
 BPB  Var_17    C7    C6   C5   C3     59.47  30.0  1
 BPB  Var_18    C8    C7   C6   C5    167.14  30.0  1
 BPB  Var_19    C12   C11  C10  C8    176.52  30.0  1
 BPB  Var_20    C13   C12  C11  C10  -179.53  30.0  3
 BPB  Var_21    C17   C16  C15  C13   179.03  30.0  2
 BPB  Var_22    C18   C17  C16  C15  -174.95  30.0  1
 BPB  Var_23    C19   C18  C17  C16   -62.34  30.0  2
 BPB  Var_24    CAA   CBA  CGA  O1A    14.04  30.0  1
 BPB  Var_25    H4    C4   C3   C2   -124.67  30.0  3
 BPB  Var_26    H19   C19  C18  C17  -178.45  30.0  3
 BPB  Var_27    H20   C20  C18  C17  -177.71  30.0  3
 BPB  Var_28    HED   CED  O2D  CGD  -179.83  30.0  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
 BPB  chir_01  C8   C7   C9   C10  positiv
 BPB  chir_02  C13  C12  C14  C15  positiv
 BPB  chir_03  C2A  C1A  CAA  C3A  negativ
 BPB  chir_04  C2C  C1C  CMC  C3C  positiv
 BPB  chir_05  C3A  C2A  C4A  CMA  negativ
 BPB  chir_06  CBD  CGD  CHA  CAD  positiv

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
 BPB  plan-1  NB    0.020
 BPB  plan-1  C1B   0.020
 BPB  plan-1  C2B   0.020
 BPB  plan-1  C3B   0.020
 BPB  plan-1  C4B   0.020
 BPB  plan-1  CAB   0.020
 BPB  plan-1  CHB   0.020
 BPB  plan-1  CHC   0.020
 BPB  plan-1  H171  0.020
 BPB  plan-1  CMB   0.020
 BPB  plan-2  O1A   0.020
 BPB  plan-2  O2A   0.020
 BPB  plan-2  CBA   0.020
 BPB  plan-2  CGA   0.020
 BPB  plan-3  ND    0.020
 BPB  plan-3  C1D   0.020
 BPB  plan-3  C2D   0.020
 BPB  plan-3  C3D   0.020
 BPB  plan-3  C4D   0.020
 BPB  plan-3  CAD   0.020
 BPB  plan-3  CHA   0.020
 BPB  plan-3  CHD   0.020
 BPB  plan-3  CMD   0.020
 BPB  plan-3  H181  0.020
 BPB  plan-4  C3B   0.020
 BPB  plan-4  CAB   0.020
 BPB  plan-4  CBB   0.020
 BPB  plan-4  OBB   0.020
 BPB  plan-5  C3D   0.020
 BPB  plan-5  CAD   0.020
 BPB  plan-5  CBD   0.020
 BPB  plan-5  OBD   0.020
 BPB  plan-6  C1    0.020
 BPB  plan-6  C2    0.020
 BPB  plan-6  C3    0.020
 BPB  plan-6  C4    0.020
 BPB  plan-6  C5    0.020
 BPB  plan-6  H2    0.020
 BPB  plan-7  CBD   0.020
 BPB  plan-7  CGD   0.020
 BPB  plan-7  O1D   0.020
 BPB  plan-7  O2D   0.020
 BPB  plan-8  C2C   0.020
 BPB  plan-8  C3C   0.020
 BPB  plan-8  C4C   0.020
 BPB  plan-8  CAC   0.020
 BPB  plan-8  CBC   0.020
 BPB  plan-8  HAC   0.020

