# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Mar 15 06:26:25 2022
#   Inital geometry file: a 319 line input string
#   Ligand name: methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-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: CC[C@@H]1[C@@H](C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C(C)=O
#
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
 BPH  BPH  'methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-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  141  65  .  2010-03-02  2022-08-09
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_BPH
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
 BPH  O1D   O  O     0  -0.430   5.6418  90.0813  -144.6676
 BPH  CGD   C  C     0   0.606   6.4076  90.3218  -145.5644
 BPH  O2D   O  O2    0  -0.441   7.3280  91.2710  -145.5245
 BPH  CED   C  CH3   0  -0.426   7.4314  92.0402  -144.3251
 BPH  CBD   C  CR15  0  -0.633   6.4343  89.5967  -146.8895
 BPH  CHA   C  CR5   0  -0.040   7.8026  89.0808  -147.2909
 BPH  C4D   C  CR55  0   0.352   8.0769  89.6696  -148.5436
 BPH  C3D   C  CR55  0  -0.073   7.0854  90.5358  -149.0032
 BPH  CAD   C  CR5   0   0.331   6.0247  90.5810  -148.0281
 BPH  OBD   O  O     0  -0.393   4.9982  91.2238  -148.0168
 BPH  C2D   C  CR5   0  -0.033   7.4831  91.0488  -150.2495
 BPH  CMD   C  CH3   0  -0.756   6.7495  92.0178  -151.1087
 BPH  C1D   C  CR5   0   0.362   8.7331  90.4637  -150.5072
 BPH  ND    N  NR15  0  -0.776   9.0544  89.6365  -149.4506
 BPH  CHD   C  C1    0  -0.510   9.5908  90.6123  -151.6252
 BPH  C4C   C  CR5   0   0.348  10.8092  90.0217  -151.7941
 BPH  C3C   C  CR15  0  -0.315  11.6644  90.1534  -153.0350
 BPH  CAC   C  CH2   0  -0.415  11.1891  89.2385  -154.1734
 BPH  CBC   C  CH3   0  -0.669   9.8485  89.6132  -154.7856
 BPH  C2C   C  CR15  0  -0.337  13.0324  89.7097  -152.5035
 BPH  CMC   C  CH3   0  -0.648  13.9532  90.8777  -152.1520
 BPH  C1C   C  CR5   0   0.349  12.6406  88.9579  -151.2516
 BPH  NC    N  N     0  -0.529  11.4130  89.2137  -150.8640
 BPH  CHC   C  C1    0  -0.495  13.5678  88.1234  -150.5964
 BPH  C4B   C  CR5   0   0.472  13.4362  87.4434  -149.4100
 BPH  C3B   C  CR5   0  -0.134  14.3882  86.5368  -148.8011
 BPH  CAB   C  C     0   0.321  15.7210  86.1473  -149.3143
 BPH  CBB   C  CH3   0  -0.814  16.5986  87.1889  -149.9545
 BPH  OBB   O  O     0  -0.383  16.1054  85.0046  -149.1771
 BPH  C2B   C  CR5   0   0.060  13.8480  86.0592  -147.6385
 BPH  CMB   C  CH3   0  -0.748  14.4215  85.0879  -146.6703
 BPH  C1B   C  CR5   0   0.439  12.5541  86.6808  -147.4787
 BPH  NB    N  NR15  0  -0.805  12.3565  87.4629  -148.5778
 BPH  CHB   C  C1    0  -0.499  11.7137  86.5331  -146.4029
 BPH  C4A   C  CR5   0   0.362  10.4522  87.1277  -146.2120
 BPH  C3A   C  CR15  0  -0.327   9.7063  86.9993  -144.9047
 BPH  CMA   C  CH3   0  -0.653  10.4156  87.7538  -143.7831
 BPH  C2A   C  CR15  0  -0.364   8.3303  87.5901  -145.2631
 BPH  C1A   C  CR5   0   0.354   8.6119  88.2283  -146.6046
 BPH  NA    N  N     0  -0.501   9.8265  87.8609  -147.1025
 BPH  CAA   C  CH2   0  -0.427   7.2448  86.5122  -145.3362
 BPH  CBA   C  CH2   0  -0.590   6.8921  86.0030  -143.9439
 BPH  CGA   C  C     0   0.606   6.1640  84.6848  -143.9542
 BPH  O1A   O  O     0  -0.443   5.6968  84.1621  -144.9347
 BPH  O2A   O  O2    0  -0.460   6.1130  84.1502  -142.7401
 BPH  C1    C  CH2   0  -0.261   5.6876  82.7749  -142.6371
 BPH  C2    C  C1    0  -0.340   6.6838  81.8565  -143.2767
 BPH  C3    C  C     0   0.126   7.9171  81.6398  -142.8108
 BPH  C4    C  CH3   0  -0.720   8.4354  82.2190  -141.5278
 BPH  C5    C  CH2   0  -0.456   8.9402  80.8335  -143.5645
 BPH  C6    C  CH2   0  -0.439   8.5567  80.3493  -144.9542
 BPH  C7    C  CH2   0  -0.411   9.7458  79.7734  -145.7152
 BPH  C8    C  CH1   0  -0.243   9.3741  79.2519  -147.1064
 BPH  C9    C  CH3   0  -0.653   8.7081  77.8809  -147.0217
 BPH  C10   C  CH2   0  -0.398  10.5715  79.1943  -148.0598
 BPH  C11   C  CH2   0  -0.444  11.2999  80.5175  -148.3057
 BPH  C12   C  CH2   0  -0.410  10.3801  81.6671  -148.7084
 BPH  C13   C  CH1   0  -0.226  11.0996  82.9590  -149.1142
 BPH  C14   C  CH3   0  -0.666  10.1109  84.1226  -149.1331
 BPH  C15   C  CH2   0  -0.399  11.8048  82.7934  -150.4625
 BPH  C16   C  CH2   0  -0.433  12.6264  83.9927  -150.9229
 BPH  C17   C  CH2   0  -0.391  13.4505  83.6788  -152.1664
 BPH  C18   C  CH1   0  -0.239  14.2258  84.8625  -152.7483
 BPH  C19   C  CH3   0  -0.663  13.3015  85.9020  -153.3713
 BPH  C20   C  CH3   0  -0.647  15.2454  84.3815  -153.7763
 BPH  HED1  H  HCH3  0   0.253   8.2321  92.7531  -144.4964
 BPH  HED2  H  HCH3  0   0.241   6.5064  92.5765  -144.1156
 BPH  HED3  H  HCH3  0   0.241   7.6835  91.4092  -143.4732
 BPH  HBD   H  HCR5  0   0.329   5.6922  88.7947  -146.8492
 BPH  HMD1  H  HCH3  0   0.250   6.7736  93.0222  -150.6816
 BPH  HMD2  H  HCH3  0   0.248   7.1722  92.0781  -152.1103
 BPH  HMD3  H  HCH3  0   0.249   5.7005  91.7381  -151.2077
 BPH  HD    H  HNR5  0   0.440   9.9128  89.1054  -149.4298
 BPH  HHD   H  H     0   0.265   9.2411  91.2626  -152.4164
 BPH  H3C   H  HCR5  0   0.256  11.6828  91.1853  -153.3981
 BPH  HAC1  H  HCH2  0   0.231  11.9557  89.2649  -154.9531
 BPH  HAC2  H  HCH2  0   0.229  11.1581  88.2048  -153.8141
 BPH  HBC1  H  HCH3  0   0.233   9.6296  88.9765  -155.6433
 BPH  HBC2  H  HCH3  0   0.227   9.0272  89.4986  -154.0787
 BPH  HBC3  H  HCH3  0   0.218   9.8473  90.6479  -155.1340
 BPH  H2C   H  HCR5  0   0.268  13.5474  89.0530  -153.2103
 BPH  HMC1  H  HCH3  0   0.237  14.8844  90.5286  -151.7040
 BPH  HMC2  H  HCH3  0   0.241  14.2054  91.4458  -153.0479
 BPH  HMC3  H  HCH3  0   0.229  13.4742  91.5575  -151.4451
 BPH  HHC   H  H     0   0.275  14.5041  87.9965  -151.1195
 BPH  HBB1  H  HCH3  0   0.284  17.6393  86.9918  -149.7007
 BPH  HBB2  H  HCH3  0   0.279  16.5168  87.1224  -151.0426
 BPH  HBB3  H  HCH3  0   0.262  16.3399  88.2031  -149.6580
 BPH  HMB1  H  HCH3  0   0.262  15.5080  85.0877  -146.6867
 BPH  HMB2  H  HCH3  0   0.252  14.1013  85.3047  -145.6528
 BPH  HMB3  H  HCH3  0   0.265  14.0899  84.0747  -146.9069
 BPH  HB    H  HNR5  0   0.441  11.5228  88.0077  -148.7289
 BPH  HHB   H  H     0   0.270  12.0656  85.8984  -145.6003
 BPH  H3A   H  HCR5  0   0.271   9.6290  85.9450  -144.6209
 BPH  HMA1  H  HCH3  0   0.243   9.8537  87.6615  -142.8530
 BPH  HMA2  H  HCH3  0   0.240  11.4178  87.3614  -143.6080
 BPH  HMA3  H  HCH3  0   0.232  10.5044  88.8156  -144.0190
 BPH  H2A   H  HCR5  0   0.273   8.0350  88.3449  -144.5268
 BPH  HAA1  H  HCH2  0   0.258   6.3471  86.8964  -145.8233
 BPH  HAA2  H  HCH2  0   0.244   7.6093  85.6943  -145.9633
 BPH  HBA1  H  HCH2  0   0.276   7.7899  85.8809  -143.3318
 BPH  HBA2  H  HCH2  0   0.287   6.2792  86.7408  -143.4158
 BPH  H1C1  H  HCH2  0   0.255   5.5924  82.6077  -141.5650
 BPH  H1C2  H  HCH2  0   0.254   4.6986  82.6523  -143.0800
 BPH  H2    H  H     0   0.246   6.3857  81.4085  -144.2161
 BPH  H4C1  H  HCH3  0   0.239   8.9592  81.4529  -140.9525
 BPH  H4C2  H  HCH3  0   0.244   9.1651  83.0062  -141.7327
 BPH  H4C3  H  HCH3  0   0.243   7.6615  82.6424  -140.8910
 BPH  H5C1  H  HCH2  0   0.228   9.8439  81.4516  -143.6387
 BPH  H5C2  H  HCH2  0   0.236   9.2399  79.9800  -142.9446
 BPH  H6C1  H  HCH2  0   0.221   7.7517  79.6122  -144.8801
 BPH  H6C2  H  HCH2  0   0.215   8.1548  81.1852  -145.5354
 BPH  H7C1  H  HCH2  0   0.223  10.4997  80.5614  -145.8000
 BPH  H7C2  H  HCH2  0   0.209  10.2149  78.9686  -145.1373
 BPH  H8    H  HCH1  0   0.212   8.6414  79.9455  -147.5362
 BPH  H9C1  H  HCH3  0   0.222   8.3781  77.5389  -148.0045
 BPH  H9C2  H  HCH3  0   0.211   9.4041  77.1357  -146.6286
 BPH  H9C3  H  HCH3  0   0.225   7.8331  77.8905  -146.3695
 BPH  H101  H  HCH2  0   0.209  11.2919  78.4574  -147.6868
 BPH  H102  H  HCH2  0   0.211  10.2188  78.8079  -149.0221
 BPH  H111  H  HCH2  0   0.209  11.8638  80.8128  -147.4155
 BPH  H112  H  HCH2  0   0.226  12.0502  80.3448  -149.0820
 BPH  H121  H  HCH2  0   0.202   9.7321  81.3496  -149.5351
 BPH  H122  H  HCH2  0   0.220   9.7086  81.8910  -147.8731
 BPH  H13   H  HCH1  0   0.204  11.8618  83.1745  -148.3521
 BPH  H141  H  HCH3  0   0.229  10.5989  85.0787  -149.3266
 BPH  H142  H  HCH3  0   0.211   9.3521  83.9735  -149.9057
 BPH  H143  H  HCH3  0   0.222   9.5944  84.2125  -148.1754
 BPH  H151  H  HCH2  0   0.216  12.4628  81.9204  -150.4186
 BPH  H152  H  HCH2  0   0.201  11.0503  82.5634  -151.2249
 BPH  H161  H  HCH2  0   0.215  11.9630  84.8413  -151.1129
 BPH  H162  H  HCH2  0   0.213  13.2971  84.3078  -150.1167
 BPH  H171  H  HCH2  0   0.210  14.1569  82.8784  -151.9195
 BPH  H172  H  HCH2  0   0.201  12.7975  83.2686  -152.9472
 BPH  H18   H  HCH1  0   0.213  14.7779  85.3406  -151.9296
 BPH  H191  H  HCH3  0   0.225  13.8695  86.7511  -153.7564
 BPH  H192  H  HCH3  0   0.213  12.7442  85.4717  -154.2076
 BPH  H193  H  HCH3  0   0.230  12.5788  86.2987  -152.6581
 BPH  H201  H  HCH3  0   0.221  15.8196  85.2141  -154.1868
 BPH  H202  H  HCH3  0   0.221  15.9512  83.6745  -153.3368
 BPH  H203  H  HCH3  0   0.210  14.7491  83.8792  -154.6105

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
 BPH  O1D  CGD   double    1.204  0.020  1.204
 BPH  CGD  O2D   single    1.323  0.020  1.323
 BPH  CGD  CBD   single    1.511  0.020  1.511
 BPH  O2D  CED   single    1.429  0.020  1.429
 BPH  CBD  CHA   single    1.516  0.020  1.516
 BPH  CBD  CAD   single    1.560  0.020  1.560
 BPH  CHA  C4D   aromatic  1.411  0.020  1.411
 BPH  CHA  C1A   aromatic  1.361  0.020  1.361
 BPH  C4D  C3D   aromatic  1.395  0.020  1.395
 BPH  C4D  ND    aromatic  1.334  0.020  1.334
 BPH  C3D  CAD   single    1.442  0.020  1.442
 BPH  C3D  C2D   aromatic  1.405  0.020  1.405
 BPH  CAD  OBD   double    1.211  0.020  1.211
 BPH  C2D  CMD   single    1.488  0.020  1.488
 BPH  C2D  C1D   aromatic  1.404  0.020  1.404
 BPH  C1D  ND    aromatic  1.380  0.020  1.380
 BPH  C1D  CHD   aromatic  1.417  0.020  1.417
 BPH  CHD  C4C   aromatic  1.364  0.020  1.364
 BPH  C4C  C3C   single    1.513  0.020  1.513
 BPH  C4C  NC    aromatic  1.372  0.020  1.372
 BPH  C3C  CAC   single    1.536  0.020  1.536
 BPH  C3C  C2C   single    1.533  0.020  1.533
 BPH  CAC  CBC   single    1.521  0.020  1.521
 BPH  C2C  CMC   single    1.528  0.020  1.528
 BPH  C2C  C1C   single    1.512  0.020  1.512
 BPH  C1C  NC    aromatic  1.312  0.020  1.312
 BPH  C1C  CHC   aromatic  1.409  0.020  1.409
 BPH  CHC  C4B   aromatic  1.374  0.020  1.374
 BPH  C4B  C3B   aromatic  1.449  0.020  1.449
 BPH  C4B  NB    aromatic  1.363  0.020  1.363
 BPH  C3B  CAB   single    1.480  0.020  1.480
 BPH  C3B  C2B   aromatic  1.368  0.020  1.368
 BPH  CAB  CBB   single    1.505  0.020  1.505
 BPH  CAB  OBB   double    1.213  0.020  1.213
 BPH  C2B  CMB   single    1.487  0.020  1.487
 BPH  C2B  C1B   aromatic  1.444  0.020  1.444
 BPH  C1B  NB    aromatic  1.363  0.020  1.363
 BPH  C1B  CHB   aromatic  1.373  0.020  1.373
 BPH  CHB  C4A   aromatic  1.408  0.020  1.408
 BPH  C4A  C3A   single    1.511  0.020  1.511
 BPH  C4A  NA    aromatic  1.312  0.020  1.312
 BPH  C3A  CMA   single    1.527  0.020  1.527
 BPH  C3A  C2A   single    1.540  0.020  1.540
 BPH  C2A  C1A   single    1.512  0.020  1.512
 BPH  C2A  CAA   single    1.532  0.020  1.532
 BPH  C1A  NA    aromatic  1.363  0.020  1.363
 BPH  CAA  CBA   single    1.524  0.020  1.524
 BPH  CBA  CGA   single    1.506  0.020  1.506
 BPH  CGA  O1A   double    1.205  0.020  1.205
 BPH  CGA  O2A   single    1.328  0.020  1.328
 BPH  O2A  C1    single    1.443  0.020  1.443
 BPH  C1   C2    single    1.498  0.020  1.498
 BPH  C2   C3    double    1.336  0.020  1.336
 BPH  C3   C4    single    1.500  0.020  1.500
 BPH  C3   C5    single    1.505  0.020  1.505
 BPH  C5   C6    single    1.521  0.020  1.521
 BPH  C6   C7    single    1.525  0.020  1.525
 BPH  C7   C8    single    1.532  0.020  1.532
 BPH  C8   C9    single    1.527  0.020  1.527
 BPH  C8   C10   single    1.532  0.020  1.532
 BPH  C10  C11   single    1.530  0.020  1.530
 BPH  C11  C12   single    1.526  0.020  1.526
 BPH  C12  C13   single    1.533  0.020  1.533
 BPH  C13  C14   single    1.527  0.020  1.527
 BPH  C13  C15   single    1.530  0.020  1.530
 BPH  C15  C16   single    1.525  0.020  1.525
 BPH  C16  C17   single    1.524  0.020  1.524
 BPH  C17  C18   single    1.530  0.020  1.530
 BPH  C18  C19   single    1.524  0.020  1.524
 BPH  C18  C20   single    1.526  0.020  1.526
 BPH  CED  HED1  single    0.970  0.020  1.090
 BPH  CED  HED2  single    0.970  0.020  1.090
 BPH  CED  HED3  single    0.970  0.020  1.090
 BPH  CBD  HBD   single    0.970  0.020  1.090
 BPH  CMD  HMD1  single    0.970  0.020  1.090
 BPH  CMD  HMD2  single    0.970  0.020  1.090
 BPH  CMD  HMD3  single    0.970  0.020  1.090
 BPH  ND   HD    single    0.860  0.020  1.020
 BPH  CHD  HHD   single    0.930  0.020  1.080
 BPH  C3C  H3C   single    0.970  0.020  1.090
 BPH  CAC  HAC1  single    0.970  0.020  1.090
 BPH  CAC  HAC2  single    0.970  0.020  1.090
 BPH  CBC  HBC1  single    0.970  0.020  1.090
 BPH  CBC  HBC2  single    0.970  0.020  1.090
 BPH  CBC  HBC3  single    0.970  0.020  1.090
 BPH  C2C  H2C   single    0.970  0.020  1.090
 BPH  CMC  HMC1  single    0.970  0.020  1.090
 BPH  CMC  HMC2  single    0.970  0.020  1.090
 BPH  CMC  HMC3  single    0.970  0.020  1.090
 BPH  CHC  HHC   single    0.930  0.020  1.080
 BPH  CBB  HBB1  single    0.970  0.020  1.090
 BPH  CBB  HBB2  single    0.970  0.020  1.090
 BPH  CBB  HBB3  single    0.970  0.020  1.090
 BPH  CMB  HMB1  single    0.970  0.020  1.090
 BPH  CMB  HMB2  single    0.970  0.020  1.090
 BPH  CMB  HMB3  single    0.970  0.020  1.090
 BPH  NB   HB    single    0.860  0.020  1.020
 BPH  CHB  HHB   single    0.930  0.020  1.080
 BPH  C3A  H3A   single    0.970  0.020  1.090
 BPH  CMA  HMA1  single    0.970  0.020  1.090
 BPH  CMA  HMA2  single    0.970  0.020  1.090
 BPH  CMA  HMA3  single    0.970  0.020  1.090
 BPH  C2A  H2A   single    0.970  0.020  1.090
 BPH  CAA  HAA1  single    0.970  0.020  1.090
 BPH  CAA  HAA2  single    0.970  0.020  1.090
 BPH  CBA  HBA1  single    0.970  0.020  1.090
 BPH  CBA  HBA2  single    0.970  0.020  1.090
 BPH  C1   H1C1  single    0.970  0.020  1.090
 BPH  C1   H1C2  single    0.970  0.020  1.090
 BPH  C2   H2    single    0.930  0.020  1.080
 BPH  C4   H4C1  single    0.970  0.020  1.090
 BPH  C4   H4C2  single    0.970  0.020  1.090
 BPH  C4   H4C3  single    0.970  0.020  1.090
 BPH  C5   H5C1  single    0.970  0.020  1.090
 BPH  C5   H5C2  single    0.970  0.020  1.090
 BPH  C6   H6C1  single    0.970  0.020  1.090
 BPH  C6   H6C2  single    0.970  0.020  1.090
 BPH  C7   H7C1  single    0.970  0.020  1.090
 BPH  C7   H7C2  single    0.970  0.020  1.090
 BPH  C8   H8    single    0.970  0.020  1.090
 BPH  C9   H9C1  single    0.970  0.020  1.090
 BPH  C9   H9C2  single    0.970  0.020  1.090
 BPH  C9   H9C3  single    0.970  0.020  1.090
 BPH  C10  H101  single    0.970  0.020  1.090
 BPH  C10  H102  single    0.970  0.020  1.090
 BPH  C11  H111  single    0.970  0.020  1.090
 BPH  C11  H112  single    0.970  0.020  1.090
 BPH  C12  H121  single    0.970  0.020  1.090
 BPH  C12  H122  single    0.970  0.020  1.090
 BPH  C13  H13   single    0.970  0.020  1.090
 BPH  C14  H141  single    0.970  0.020  1.090
 BPH  C14  H142  single    0.970  0.020  1.090
 BPH  C14  H143  single    0.970  0.020  1.090
 BPH  C15  H151  single    0.970  0.020  1.090
 BPH  C15  H152  single    0.970  0.020  1.090
 BPH  C16  H161  single    0.970  0.020  1.090
 BPH  C16  H162  single    0.970  0.020  1.090
 BPH  C17  H171  single    0.970  0.020  1.090
 BPH  C17  H172  single    0.970  0.020  1.090
 BPH  C18  H18   single    0.970  0.020  1.090
 BPH  C19  H191  single    0.970  0.020  1.090
 BPH  C19  H192  single    0.970  0.020  1.090
 BPH  C19  H193  single    0.970  0.020  1.090
 BPH  C20  H201  single    0.970  0.020  1.090
 BPH  C20  H202  single    0.970  0.020  1.090
 BPH  C20  H203  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
 BPH  CBD   CGD  O2D   111.01  3.000
 BPH  CBD   CGD  O1D   124.67  3.000
 BPH  O2D   CGD  O1D   124.31  3.000
 BPH  CED   O2D  CGD   117.52  3.000
 BPH  HED3  CED  HED2  109.34  3.000
 BPH  HED3  CED  HED1  109.45  3.000
 BPH  HED2  CED  HED1  109.47  3.000
 BPH  HED3  CED  O2D   111.18  3.000
 BPH  HED2  CED  O2D   111.41  3.000
 BPH  HED1  CED  O2D   105.93  3.000
 BPH  HBD   CBD  CAD   108.15  3.000
 BPH  HBD   CBD  CHA   111.88  3.000
 BPH  CAD   CBD  CHA   104.98  3.000
 BPH  HBD   CBD  CGD   107.92  3.000
 BPH  CAD   CBD  CGD   109.43  3.000
 BPH  CHA   CBD  CGD   114.30  3.000
 BPH  C1A   CHA  C4D   126.40  3.000
 BPH  C1A   CHA  CBD   128.03  3.000
 BPH  C4D   CHA  CBD   105.57  3.000
 BPH  ND    C4D  C3D   108.20  3.000
 BPH  ND    C4D  CHA   137.37  3.000
 BPH  C3D   C4D  CHA   114.43  3.000
 BPH  C2D   C3D  CAD   142.82  3.000
 BPH  C2D   C3D  C4D   108.53  3.000
 BPH  CAD   C3D  C4D   108.65  3.000
 BPH  OBD   CAD  C3D   130.28  3.000
 BPH  OBD   CAD  CBD   123.41  3.000
 BPH  C3D   CAD  CBD   106.30  3.000
 BPH  C1D   C2D  CMD   127.16  3.000
 BPH  C1D   C2D  C3D   105.23  3.000
 BPH  CMD   C2D  C3D   127.60  3.000
 BPH  HMD3  CMD  HMD2  107.72  3.000
 BPH  HMD3  CMD  HMD1  107.02  3.000
 BPH  HMD2  CMD  HMD1  107.48  3.000
 BPH  HMD3  CMD  C2D   111.08  3.000
 BPH  HMD2  CMD  C2D   112.07  3.000
 BPH  HMD1  CMD  C2D   111.23  3.000
 BPH  CHD   C1D  ND    121.74  3.000
 BPH  CHD   C1D  C2D   129.80  3.000
 BPH  ND    C1D  C2D   108.46  3.000
 BPH  HD    ND   C1D   121.95  3.000
 BPH  HD    ND   C4D   128.47  3.000
 BPH  C1D   ND   C4D   109.58  3.000
 BPH  HHD   CHD  C4C   117.26  3.000
 BPH  HHD   CHD  C1D   116.38  3.000
 BPH  C4C   CHD  C1D   126.36  3.000
 BPH  NC    C4C  C3C   111.01  3.000
 BPH  NC    C4C  CHD   124.33  3.000
 BPH  C3C   C4C  CHD   124.65  3.000
 BPH  H3C   C3C  C2C   111.90  3.000
 BPH  H3C   C3C  CAC   108.73  3.000
 BPH  C2C   C3C  CAC   111.14  3.000
 BPH  H3C   C3C  C4C   111.34  3.000
 BPH  C2C   C3C  C4C   101.23  3.000
 BPH  CAC   C3C  C4C   112.41  3.000
 BPH  HAC2  CAC  HAC1  106.05  3.000
 BPH  HAC2  CAC  CBC   109.86  3.000
 BPH  HAC1  CAC  CBC   108.97  3.000
 BPH  HAC2  CAC  C3C   109.14  3.000
 BPH  HAC1  CAC  C3C   107.29  3.000
 BPH  CBC   CAC  C3C   115.12  3.000
 BPH  HBC3  CBC  HBC2  107.81  3.000
 BPH  HBC3  CBC  HBC1  107.59  3.000
 BPH  HBC2  CBC  HBC1  107.32  3.000
 BPH  HBC3  CBC  CAC   111.28  3.000
 BPH  HBC2  CBC  CAC   112.17  3.000
 BPH  HBC1  CBC  CAC   110.47  3.000
 BPH  H2C   C2C  C1C   111.02  3.000
 BPH  H2C   C2C  CMC   108.89  3.000
 BPH  C1C   C2C  CMC   110.22  3.000
 BPH  H2C   C2C  C3C   111.71  3.000
 BPH  C1C   C2C  C3C   101.52  3.000
 BPH  CMC   C2C  C3C   113.33  3.000
 BPH  HMC3  CMC  HMC2  108.00  3.000
 BPH  HMC3  CMC  HMC1  107.94  3.000
 BPH  HMC2  CMC  HMC1  107.86  3.000
 BPH  HMC3  CMC  C2C   111.13  3.000
 BPH  HMC2  CMC  C2C   110.40  3.000
 BPH  HMC1  CMC  C2C   111.36  3.000
 BPH  CHC   C1C  NC    126.41  3.000
 BPH  CHC   C1C  C2C   120.59  3.000
 BPH  NC    C1C  C2C   112.96  3.000
 BPH  C1C   NC   C4C   109.04  3.000
 BPH  HHC   CHC  C4B   116.31  3.000
 BPH  HHC   CHC  C1C   114.51  3.000
 BPH  C4B   CHC  C1C   129.18  3.000
 BPH  NB    C4B  C3B   105.83  3.000
 BPH  NB    C4B  CHC   126.58  3.000
 BPH  C3B   C4B  CHC   127.57  3.000
 BPH  C2B   C3B  CAB   123.93  3.000
 BPH  C2B   C3B  C4B   108.43  3.000
 BPH  CAB   C3B  C4B   127.63  3.000
 BPH  OBB   CAB  CBB   121.01  3.000
 BPH  OBB   CAB  C3B   119.59  3.000
 BPH  CBB   CAB  C3B   119.36  3.000
 BPH  HBB3  CBB  HBB2  108.07  3.000
 BPH  HBB3  CBB  HBB1  109.42  3.000
 BPH  HBB2  CBB  HBB1  107.00  3.000
 BPH  HBB3  CBB  CAB   112.99  3.000
 BPH  HBB2  CBB  CAB   109.73  3.000
 BPH  HBB1  CBB  CAB   109.44  3.000
 BPH  C1B   C2B  CMB   123.69  3.000
 BPH  C1B   C2B  C3B   107.31  3.000
 BPH  CMB   C2B  C3B   129.00  3.000
 BPH  HMB3  CMB  HMB2  107.34  3.000
 BPH  HMB3  CMB  HMB1  107.47  3.000
 BPH  HMB2  CMB  HMB1  107.95  3.000
 BPH  HMB3  CMB  C2B   110.37  3.000
 BPH  HMB2  CMB  C2B   111.42  3.000
 BPH  HMB1  CMB  C2B   112.09  3.000
 BPH  CHB   C1B  NB    127.20  3.000
 BPH  CHB   C1B  C2B   126.07  3.000
 BPH  NB    C1B  C2B   106.71  3.000
 BPH  HB    NB   C1B   123.45  3.000
 BPH  HB    NB   C4B   124.86  3.000
 BPH  C1B   NB   C4B   111.66  3.000
 BPH  HHB   CHB  C4A   116.02  3.000
 BPH  HHB   CHB  C1B   116.43  3.000
 BPH  C4A   CHB  C1B   127.54  3.000
 BPH  NA    C4A  C3A   113.53  3.000
 BPH  NA    C4A  CHB   124.84  3.000
 BPH  C3A   C4A  CHB   121.60  3.000
 BPH  H3A   C3A  C2A   111.52  3.000
 BPH  H3A   C3A  CMA   108.56  3.000
 BPH  C2A   C3A  CMA   113.37  3.000
 BPH  H3A   C3A  C4A   109.94  3.000
 BPH  C2A   C3A  C4A   101.96  3.000
 BPH  CMA   C3A  C4A   111.37  3.000
 BPH  HMA3  CMA  HMA2  108.06  3.000
 BPH  HMA3  CMA  HMA1  107.98  3.000
 BPH  HMA2  CMA  HMA1  107.82  3.000
 BPH  HMA3  CMA  C3A   111.09  3.000
 BPH  HMA2  CMA  C3A   111.54  3.000
 BPH  HMA1  CMA  C3A   110.21  3.000
 BPH  H2A   C2A  CAA   109.03  3.000
 BPH  H2A   C2A  C1A   110.85  3.000
 BPH  CAA   C2A  C1A   112.75  3.000
 BPH  H2A   C2A  C3A   110.42  3.000
 BPH  CAA   C2A  C3A   111.99  3.000
 BPH  C1A   C2A  C3A   101.65  3.000
 BPH  NA    C1A  C2A   112.10  3.000
 BPH  NA    C1A  CHA   120.96  3.000
 BPH  C2A   C1A  CHA   126.94  3.000
 BPH  C1A   NA   C4A   109.12  3.000
 BPH  HAA2  CAA  HAA1  106.36  3.000
 BPH  HAA2  CAA  CBA   110.56  3.000
 BPH  HAA1  CAA  CBA   109.58  3.000
 BPH  HAA2  CAA  C2A   108.52  3.000
 BPH  HAA1  CAA  C2A   110.89  3.000
 BPH  CBA   CAA  C2A   110.83  3.000
 BPH  HBA2  CBA  HBA1  105.35  3.000
 BPH  HBA2  CBA  CGA   108.82  3.000
 BPH  HBA1  CBA  CGA   107.64  3.000
 BPH  HBA2  CBA  CAA   110.19  3.000
 BPH  HBA1  CBA  CAA   111.02  3.000
 BPH  CGA   CBA  CAA   113.46  3.000
 BPH  O2A   CGA  O1A   123.66  3.000
 BPH  O2A   CGA  CBA   111.40  3.000
 BPH  O1A   CGA  CBA   124.93  3.000
 BPH  C1    O2A  CGA   117.41  3.000
 BPH  H1C2  C1   H1C1  107.65  3.000
 BPH  H1C2  C1   C2    111.14  3.000
 BPH  H1C1  C1   C2    112.60  3.000
 BPH  H1C2  C1   O2A   110.20  3.000
 BPH  H1C1  C1   O2A   104.02  3.000
 BPH  C2    C1   O2A   110.96  3.000
 BPH  H2    C2   C3    119.31  3.000
 BPH  H2    C2   C1    116.17  3.000
 BPH  C3    C2   C1    124.36  3.000
 BPH  C5    C3   C4    113.60  3.000
 BPH  C5    C3   C2    122.67  3.000
 BPH  C4    C3   C2    123.67  3.000
 BPH  H4C3  C4   H4C2  107.72  3.000
 BPH  H4C3  C4   H4C1  107.81  3.000
 BPH  H4C2  C4   H4C1  106.49  3.000
 BPH  H4C3  C4   C3    113.90  3.000
 BPH  H4C2  C4   C3    110.40  3.000
 BPH  H4C1  C4   C3    110.21  3.000
 BPH  H5C2  C5   H5C1  104.57  3.000
 BPH  H5C2  C5   C6    109.74  3.000
 BPH  H5C1  C5   C6    108.98  3.000
 BPH  H5C2  C5   C3    108.64  3.000
 BPH  H5C1  C5   C3    106.97  3.000
 BPH  C6    C5   C3    117.18  3.000
 BPH  H6C2  C6   H6C1  106.28  3.000
 BPH  H6C2  C6   C7    108.05  3.000
 BPH  H6C1  C6   C7    110.68  3.000
 BPH  H6C2  C6   C5    109.55  3.000
 BPH  H6C1  C6   C5    109.77  3.000
 BPH  C7    C6   C5    112.31  3.000
 BPH  H7C2  C7   H7C1  105.95  3.000
 BPH  H7C2  C7   C8    109.43  3.000
 BPH  H7C1  C7   C8    110.01  3.000
 BPH  H7C2  C7   C6    110.36  3.000
 BPH  H7C1  C7   C6    107.71  3.000
 BPH  C8    C7   C6    113.12  3.000
 BPH  H8    C8   C10   107.59  3.000
 BPH  H8    C8   C9    107.36  3.000
 BPH  C10   C8   C9    109.99  3.000
 BPH  H8    C8   C7    107.63  3.000
 BPH  C10   C8   C7    112.86  3.000
 BPH  C9    C8   C7    111.18  3.000
 BPH  H9C3  C9   H9C2  107.56  3.000
 BPH  H9C3  C9   H9C1  107.36  3.000
 BPH  H9C2  C9   H9C1  107.62  3.000
 BPH  H9C3  C9   C8    112.03  3.000
 BPH  H9C2  C9   C8    110.76  3.000
 BPH  H9C1  C9   C8    111.30  3.000
 BPH  H102  C10  H101  105.88  3.000
 BPH  H102  C10  C11   108.49  3.000
 BPH  H101  C10  C11   108.86  3.000
 BPH  H102  C10  C8    107.96  3.000
 BPH  H101  C10  C8    109.11  3.000
 BPH  C11   C10  C8    116.08  3.000
 BPH  H112  C11  H111  105.46  3.000
 BPH  H112  C11  C12   110.19  3.000
 BPH  H111  C11  C12   108.78  3.000
 BPH  H112  C11  C10   107.70  3.000
 BPH  H111  C11  C10   110.36  3.000
 BPH  C12   C11  C10   114.00  3.000
 BPH  H122  C12  H121  105.77  3.000
 BPH  H122  C12  C13   108.50  3.000
 BPH  H121  C12  C13   108.75  3.000
 BPH  H122  C12  C11   108.80  3.000
 BPH  H121  C12  C11   109.68  3.000
 BPH  C13   C12  C11   114.93  3.000
 BPH  H13   C13  C15   108.21  3.000
 BPH  H13   C13  C14   107.94  3.000
 BPH  C15   C13  C14   111.71  3.000
 BPH  H13   C13  C12   107.88  3.000
 BPH  C15   C13  C12   110.99  3.000
 BPH  C14   C13  C12   109.96  3.000
 BPH  H143  C14  H142  107.63  3.000
 BPH  H143  C14  H141  107.16  3.000
 BPH  H142  C14  H141  107.74  3.000
 BPH  H143  C14  C13   110.99  3.000
 BPH  H142  C14  C13   110.75  3.000
 BPH  H141  C14  C13   112.36  3.000
 BPH  H152  C15  H151  105.91  3.000
 BPH  H152  C15  C16   109.00  3.000
 BPH  H151  C15  C16   108.40  3.000
 BPH  H152  C15  C13   108.54  3.000
 BPH  H151  C15  C13   109.15  3.000
 BPH  C16   C15  C13   115.42  3.000
 BPH  H162  C16  H161  106.03  3.000
 BPH  H162  C16  C17   109.19  3.000
 BPH  H161  C16  C17   110.24  3.000
 BPH  H162  C16  C15   109.51  3.000
 BPH  H161  C16  C15   109.63  3.000
 BPH  C17   C16  C15   112.07  3.000
 BPH  H172  C17  H171  105.72  3.000
 BPH  H172  C17  C18   108.67  3.000
 BPH  H171  C17  C18   108.91  3.000
 BPH  H172  C17  C16   109.61  3.000
 BPH  H171  C17  C16   108.37  3.000
 BPH  C18   C17  C16   115.14  3.000
 BPH  H18   C18  C20   107.70  3.000
 BPH  H18   C18  C19   108.24  3.000
 BPH  C20   C18  C19   110.17  3.000
 BPH  H18   C18  C17   107.96  3.000
 BPH  C20   C18  C17   110.55  3.000
 BPH  C19   C18  C17   112.07  3.000
 BPH  H193  C19  H192  107.80  3.000
 BPH  H193  C19  H191  107.02  3.000
 BPH  H192  C19  H191  107.55  3.000
 BPH  H193  C19  C18   112.51  3.000
 BPH  H192  C19  C18   110.69  3.000
 BPH  H191  C19  C18   111.05  3.000
 BPH  H203  C20  H202  107.65  3.000
 BPH  H203  C20  H201  107.60  3.000
 BPH  H202  C20  H201  107.78  3.000
 BPH  H203  C20  C18   110.84  3.000
 BPH  H202  C20  C18   111.41  3.000
 BPH  H201  C20  C18   111.38  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
 BPH  CONST_01  C2D   C3D  C4D  CHA   180.00   0.0  0
 BPH  CONST_02  C1D   ND   C4D  CHA   180.00   0.0  0
 BPH  CONST_03  C4A   NA   C1A  CHA   180.00   0.0  0
 BPH  CONST_04  NA    C1A  CHA  C4D     0.00   0.0  0
 BPH  CONST_05  C1D   C2D  C3D  C4D     0.00   0.0  0
 BPH  CONST_06  C2D   C1D  ND   C4D     0.00   0.0  0
 BPH  CONST_07  CHD   C1D  ND   C4D   180.00   0.0  0
 BPH  CONST_08  C1A   CHA  C4D  C3D   180.00   0.0  0
 BPH  CONST_09  C1D   ND   C4D  C3D     0.00   0.0  0
 BPH  CONST_10  ND    C1D  C2D  C3D     0.00   0.0  0
 BPH  CONST_11  CHD   C1D  C2D  C3D   180.00   0.0  0
 BPH  CONST_12  ND    C4D  C3D  C2D     0.00   0.0  0
 BPH  CONST_13  C4C   CHD  C1D  C2D   180.00   0.0  0
 BPH  CONST_14  NC    C4C  CHD  C1D     0.00   0.0  0
 BPH  CONST_15  C1A   CHA  C4D  ND      0.00   0.0  0
 BPH  CONST_16  C4C   CHD  C1D  ND      0.00   0.0  0
 BPH  CONST_17  C1C   NC   C4C  CHD   180.00   0.0  0
 BPH  CONST_18  CHC   C1C  NC   C4C   180.00   0.0  0
 BPH  CONST_19  C3B   C4B  CHC  C1C   180.00   0.0  0
 BPH  CONST_20  NB    C4B  CHC  C1C     0.00   0.0  0
 BPH  CONST_21  C4B   CHC  C1C  NC      0.00   0.0  0
 BPH  CONST_22  C2B   C3B  C4B  CHC   180.00   0.0  0
 BPH  CONST_23  C1B   NB   C4B  CHC   180.00   0.0  0
 BPH  CONST_24  C1B   C2B  C3B  C4B     0.00   0.0  0
 BPH  CONST_25  C2B   C1B  NB   C4B     0.00   0.0  0
 BPH  CONST_26  CHB   C1B  NB   C4B   180.00   0.0  0
 BPH  CONST_27  C1B   NB   C4B  C3B     0.00   0.0  0
 BPH  CONST_28  NB    C1B  C2B  C3B     0.00   0.0  0
 BPH  CONST_29  CHB   C1B  C2B  C3B   180.00   0.0  0
 BPH  CONST_30  NB    C4B  C3B  C2B     0.00   0.0  0
 BPH  CONST_31  C4A   CHB  C1B  C2B   180.00   0.0  0
 BPH  CONST_32  NA    C4A  CHB  C1B     0.00   0.0  0
 BPH  CONST_33  C4A   CHB  C1B  NB      0.00   0.0  0
 BPH  CONST_34  C1A   NA   C4A  CHB   180.00   0.0  0
 BPH  CONST_35  CMD   C2D  C3D  C4D   180.00   0.0  0
 BPH  CONST_36  CMD   C2D  C3D  CAD     0.00   0.0  0
 BPH  CONST_37  ND    C1D  C2D  CMD   180.00   0.0  0
 BPH  CONST_38  CHD   C1D  C2D  CMD     0.00   0.0  0
 BPH  CONST_39  CAB   C3B  C4B  CHC     0.00   0.0  0
 BPH  CONST_40  CMB   C2B  C3B  C4B   180.00   0.0  0
 BPH  CONST_41  NB    C4B  C3B  CAB   180.00   0.0  0
 BPH  CONST_42  C1B   C2B  C3B  CAB   180.00   0.0  0
 BPH  CONST_43  NB    C1B  C2B  CMB   180.00   0.0  0
 BPH  CONST_44  CHB   C1B  C2B  CMB     0.00   0.0  0
 BPH  CONST_45  HD    ND   C4D  CHA     0.00   0.0  0
 BPH  CONST_46  HHD   CHD  C1D  C2D     0.00   0.0  0
 BPH  CONST_47  HHC   CHC  C1C  C2C     0.00   0.0  0
 BPH  CONST_48  HB    NB   C4B  CHC     0.00   0.0  0
 BPH  CONST_49  HHB   CHB  C1B  C2B     0.00   0.0  0
 BPH  Var_01    C3D   C4D  CHA  CBD     1.72  30.0  1
 BPH  Var_02    C2A   C1A  CHA  CBD    -0.05  30.0  1
 BPH  Var_03    C4D   C3D  CAD  CBD    -1.65  30.0  2
 BPH  Var_04    C3C   C4C  CHD  C1D   176.84  30.0  1
 BPH  Var_05    C2C   C1C  NC   C4C     4.88  30.0  1
 BPH  Var_06    C4B   CHC  C1C  C2C   174.76  30.0  1
 BPH  Var_07    C3A   C4A  CHB  C1B  -172.86  30.0  1
 BPH  Var_08    CBB   CAB  C3B  C4B    40.08  30.0  2
 BPH  Var_09    HMD1  CMD  C2D  C3D    72.19  30.0  2
 BPH  Var_10    HMB1  CMB  C2B  C3B    26.55  30.0  2
 BPH  Var_11    CBD   CGD  O2D  CED  -179.54  30.0  1
 BPH  Var_12    CGA   CBA  CAA  C2A  -162.46  30.0  3
 BPH  Var_13    HBC1  CBC  CAC  C3C   174.63  30.0  3
 BPH  Var_14    HBB1  CBB  CAB  C3B   143.88  30.0  3
 BPH  Var_15    C4    C3   C2   C1      4.36   0.0  2
 BPH  Var_16    O1A   CGA  CBA  CAA   -11.66  30.0  3
 BPH  Var_17    C2    C1   O2A  CGA    66.25  30.0  3
 BPH  Var_18    C3    C2   C1   O2A    67.55  30.0  3
 BPH  Var_19    C6    C5   C3   C2      4.66  30.0  3
 BPH  Var_20    C7    C6   C5   C3    169.46  30.0  3
 BPH  Var_21    C8    C7   C6   C5    178.75  30.0  3
 BPH  Var_22    C12   C11  C10  C8    -51.21  30.0  3
 BPH  Var_23    C13   C12  C11  C10  -173.37  30.0  3
 BPH  Var_24    C17   C16  C15  C13   171.88  30.0  3
 BPH  Var_25    C18   C17  C16  C15   175.83  30.0  3
 BPH  Var_26    C19   C18  C17  C16   -69.45  30.0  3
 BPH  Var_27    HED1  CED  O2D  CGD  -179.95  30.0  3
 BPH  Var_28    H4C1  C4   C3   C2    134.65  30.0  3
 BPH  Var_29    H191  C19  C18  C17   178.45  30.0  3
 BPH  Var_30    H201  C20  C18  C17  -178.94  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
 BPH  chir_01  CBD  CGD  CHA  CAD  positiv
 BPH  chir_02  C3C  C4C  CAC  C2C  positiv
 BPH  chir_03  C2C  C1C  CMC  C3C  positiv
 BPH  chir_04  C3A  C4A  CMA  C2A  negativ
 BPH  chir_05  C2A  CAA  C1A  C3A  positiv
 BPH  chir_06  C8   C7   C9   C10  positiv
 BPH  chir_07  C13  C12  C14  C15  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
 BPH  plan-1  C1   0.020
 BPH  plan-1  C2   0.020
 BPH  plan-1  C3   0.020
 BPH  plan-1  C4   0.020
 BPH  plan-1  C5   0.020
 BPH  plan-1  H2   0.020
 BPH  plan-2  CHA  0.020
 BPH  plan-2  C4D  0.020
 BPH  plan-2  C3D  0.020
 BPH  plan-2  CAD  0.020
 BPH  plan-2  C2D  0.020
 BPH  plan-2  CMD  0.020
 BPH  plan-2  C1D  0.020
 BPH  plan-2  ND   0.020
 BPH  plan-2  CHD  0.020
 BPH  plan-2  HD   0.020
 BPH  plan-3  CHC  0.020
 BPH  plan-3  C4B  0.020
 BPH  plan-3  C3B  0.020
 BPH  plan-3  CAB  0.020
 BPH  plan-3  C2B  0.020
 BPH  plan-3  CMB  0.020
 BPH  plan-3  C1B  0.020
 BPH  plan-3  NB   0.020
 BPH  plan-3  CHB  0.020
 BPH  plan-3  HB   0.020
 BPH  plan-4  C3B  0.020
 BPH  plan-4  CAB  0.020
 BPH  plan-4  CBB  0.020
 BPH  plan-4  OBB  0.020
 BPH  plan-5  CBD  0.020
 BPH  plan-5  C3D  0.020
 BPH  plan-5  CAD  0.020
 BPH  plan-5  OBD  0.020
 BPH  plan-6  O1D  0.020
 BPH  plan-6  CGD  0.020
 BPH  plan-6  O2D  0.020
 BPH  plan-6  CBD  0.020
 BPH  plan-7  CBA  0.020
 BPH  plan-7  CGA  0.020
 BPH  plan-7  O1A  0.020
 BPH  plan-7  O2A  0.020

