# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 25 07:11:35 2022
#   Inital geometry file: a 314 line input string
#   Ligand name: methyl (3S,4S,21R)-9-ethenyl-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)phorbine-21-carboxylate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCc1c(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
#
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
 PHO  PHO  'methyl (3S,4S,21R)-9-ethenyl-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)phorbine-21-carboxylate'  ligand  138  64  .  2012-08-07  2022-03-29
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_PHO
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
 PHO  CHA   C  CR5   0  -0.017  73.1066  130.7179  73.7270
 PHO  CHB   C  C1    0  -0.513  75.5816  133.0981  77.0173
 PHO  CHC   C  C1    0  -0.488  71.9640  132.3369  80.1633
 PHO  CHD   C  C1    0  -0.491  69.4220  129.9166  76.8744
 PHO  NA    N  N     0  -0.508  74.1448  131.8480  75.5356
 PHO  C1A   C  CR5   0   0.337  74.1458  131.4456  74.2416
 PHO  C2A   C  CR15  0  -0.339  75.3760  131.9108  73.4966
 PHO  C3A   C  CR15  0  -0.320  76.2048  132.5674  74.6135
 PHO  C4A   C  CR5   0   0.367  75.2602  132.5097  75.7903
 PHO  CMA   C  CH3   0  -0.656  77.5189  131.8421  74.8886
 PHO  CAA   C  CH2   0  -0.452  75.0709  132.8404  72.3200
 PHO  CBA   C  CH2   0  -0.576  74.2134  134.0471  72.7025
 PHO  CGA   C  C     0   0.606  73.6159  134.7631  71.5205
 PHO  O1A   O  O     0  -0.450  72.4928  135.2030  71.4937
 PHO  O2A   O  O2    0  -0.449  74.4655  134.8552  70.5077
 PHO  NB    N  NR15  0  -0.795  73.6216  132.5178  78.3743
 PHO  C1B   C  CR5   0   0.431  74.8345  133.0924  78.1798
 PHO  C2B   C  CR5   0   0.004  75.2201  133.6961  79.4299
 PHO  C3B   C  CR5   0   0.002  74.2279  133.4447  80.3369
 PHO  C4B   C  CR5   0   0.434  73.1803  132.7111  79.6554
 PHO  CMB   C  CH3   0  -0.754  76.5050  134.4150  79.6432
 PHO  CAB   C  C1    0  -0.273  74.2336  133.8477  81.7382
 PHO  CBB   C  C2    0  -0.528  73.7932  133.1201  82.7640
 PHO  NC    N  N     0  -0.615  70.9696  131.1744  78.2640
 PHO  C1C   C  CR5   0   0.300  70.9310  131.6226  79.5184
 PHO  C2C   C  CR5   0  -0.025  69.6820  131.2697  80.1760
 PHO  C3C   C  CR5   0   0.075  68.9620  130.5700  79.2581
 PHO  C4C   C  CR5   0   0.284  69.7843  130.5257  78.0613
 PHO  CMC   C  CH3   0  -0.763  69.3090  131.6298  81.5727
 PHO  CAC   C  CH2   0  -0.543  67.5874  130.0028  79.3928
 PHO  CBC   C  CH3   0  -0.653  66.5131  130.9259  78.8161
 PHO  ND    N  NR15  0  -0.781  71.4416  130.4893  75.6487
 PHO  C1D   C  CR5   0   0.380  70.1958  129.8894  75.7113
 PHO  C2D   C  CR5   0   0.005  69.9125  129.3192  74.4489
 PHO  C3D   C  CR55  0  -0.051  71.0260  129.6095  73.6611
 PHO  C4D   C  CR55  0   0.363  71.9476  130.3370  74.4288
 PHO  CMD   C  CH3   0  -0.784  68.6758  128.6055  74.0413
 PHO  CAD   C  CR5   0   0.342  71.5578  129.4372  72.3323
 PHO  OBD   O  O     0  -0.388  71.1077  128.8273  71.3899
 PHO  CBD   C  CR15  0  -0.688  72.9072  130.2280  72.3068
 PHO  CGD   C  C     0   0.620  73.9865  129.3126  71.7830
 PHO  O1D   O  O     0  -0.423  74.6795  128.6133  72.4752
 PHO  O2D   O  O2    0  -0.444  74.0423  129.3461  70.4621
 PHO  CED   C  CH3   0  -0.425  74.9643  128.4656  69.8160
 PHO  C1    C  CH2   0  -0.259  73.9495  135.3045  69.2372
 PHO  C2    C  C1    0  -0.327  72.9623  134.3320  68.6675
 PHO  C3    C  C     0   0.129  73.2670  133.1015  68.2487
 PHO  C4    C  CH3   0  -0.735  74.6610  132.5482  68.2406
 PHO  C5    C  CH2   0  -0.476  72.2300  132.1325  67.7377
 PHO  C6    C  CH2   0  -0.452  70.7825  132.3550  68.1636
 PHO  C7    C  CH2   0  -0.418  70.5716  132.1670  69.6636
 PHO  C8    C  CH1   0  -0.218  69.1179  132.2524  70.1367
 PHO  C9    C  CH3   0  -0.668  69.0693  132.4000  71.6560
 PHO  C10   C  CH2   0  -0.405  68.3141  131.0419  69.6587
 PHO  C11   C  CH2   0  -0.430  66.8377  131.0339  70.0407
 PHO  C12   C  CH2   0  -0.426  66.1112  129.8523  69.4054
 PHO  C13   C  CH1   0  -0.232  64.6422  129.6682  69.8006
 PHO  C14   C  CH3   0  -0.654  63.7671  130.8076  69.2846
 PHO  C15   C  CH2   0  -0.411  64.4350  129.4904  71.3088
 PHO  C16   C  CH2   0  -0.452  65.3276  128.4574  71.9919
 PHO  C17   C  CH2   0  -0.395  65.1769  127.0349  71.4678
 PHO  C18   C  CH1   0  -0.232  66.1475  126.0292  72.0920
 PHO  C19   C  CH3   0  -0.661  65.9195  125.8561  73.5901
 PHO  C20   C  CH3   0  -0.647  66.0491  124.6825  71.3816
 PHO  HHC   H  H     0   0.271  71.7733  132.6353  81.1849
 PHO  HHD   H  H     0   0.275  68.4601  129.4215  76.8304
 PHO  H2A   H  HCR5  0   0.283  75.9150  131.0448  73.1003
 PHO  H3A   H  HCR5  0   0.273  76.4330  133.6117  74.3775
 PHO  HMA1  H  HCH3  0   0.240  78.0706  132.3057  75.7067
 PHO  HMA2  H  HCH3  0   0.232  77.3436  130.7965  75.1467
 PHO  HMA3  H  HCH3  0   0.243  78.1546  131.8688  74.0030
 PHO  HAA1  H  HCH2  0   0.259  76.0210  133.1717  71.8968
 PHO  HAA2  H  HCH2  0   0.256  74.5784  132.2711  71.5291
 PHO  HBA1  H  HCH2  0   0.267  73.3806  133.7524  73.3430
 PHO  HBA2  H  HCH2  0   0.281  74.8037  134.7699  73.2751
 PHO  HMB1  H  HCH3  0   0.254  76.6314  135.2222  78.9203
 PHO  HMB2  H  HCH3  0   0.258  76.5637  134.8479  80.6394
 PHO  HMB3  H  HCH3  0   0.257  77.3567  133.7424  79.5257
 PHO  HAB   H  H     0   0.264  74.6720  134.8183  81.9469
 PHO  HBB1  H  H     0   0.253  73.8497  133.5035  83.7736
 PHO  HBB2  H  H     0   0.254  73.3905  132.1225  82.6461
 PHO  HMC1  H  HCH3  0   0.252  68.3573  131.1826  81.8563
 PHO  HMC2  H  HCH3  0   0.243  70.0581  131.2922  82.2916
 PHO  HMC3  H  HCH3  0   0.246  69.2127  132.7104  81.6977
 PHO  HAC1  H  HCH2  0   0.240  67.5325  129.0292  78.8997
 PHO  HAC2  H  HCH2  0   0.247  67.3727  129.8148  80.4467
 PHO  HBC1  H  HCH3  0   0.230  65.5204  130.4929  78.9429
 PHO  HBC2  H  HCH3  0   0.226  66.5241  131.8952  79.3149
 PHO  HBC3  H  HCH3  0   0.225  66.6683  131.0980  77.7505
 PHO  HMD1  H  HCH3  0   0.261  68.1021  129.2096  73.3356
 PHO  HMD2  H  HCH3  0   0.259  68.9108  127.6675  73.5378
 PHO  HMD3  H  HCH3  0   0.255  68.0263  128.3799  74.8849
 PHO  HBD   H  HCR5  0   0.339  72.7599  131.0575  71.6067
 PHO  HED1  H  HCH3  0   0.254  74.8502  128.6465  68.7515
 PHO  HED2  H  HCH3  0   0.242  75.9903  128.6798  70.1129
 PHO  HED3  H  HCH3  0   0.244  74.7348  127.4233  70.0348
 PHO  H11   H  HCH2  0   0.255  73.5046  136.2944  69.3451
 PHO  H12   H  HCH2  0   0.254  74.8382  135.4062  68.6160
 PHO  H2    H  H     0   0.240  71.9288  134.6563  68.6558
 PHO  H41   H  HCH3  0   0.241  74.8635  132.0460  67.2919
 PHO  H42   H  HCH3  0   0.242  75.4350  133.2974  68.3951
 PHO  H43   H  HCH3  0   0.248  74.7714  131.7906  69.0209
 PHO  H51   H  HCH2  0   0.249  72.2966  132.1190  66.6434
 PHO  H52   H  HCH2  0   0.228  72.5292  131.1248  68.0483
 PHO  H61   H  HCH2  0   0.216  70.4336  133.3466  67.8587
 PHO  H62   H  HCH2  0   0.233  70.1667  131.6436  67.6080
 PHO  H71   H  HCH2  0   0.209  70.9825  131.1934  69.9538
 PHO  H72   H  HCH2  0   0.224  71.1630  132.9135  70.1996
 PHO  H8    H  HCH1  0   0.202  68.6709  133.1552  69.6994
 PHO  H91   H  HCH3  0   0.227  68.0594  132.5953  72.0180
 PHO  H92   H  HCH3  0   0.216  69.4236  131.4933  72.1540
 PHO  H93   H  HCH3  0   0.222  69.7003  133.2260  71.9906
 PHO  H101  H  HCH2  0   0.216  68.3860  130.9686  68.5688
 PHO  H102  H  HCH2  0   0.200  68.7884  130.1340  70.0517
 PHO  H111  H  HCH2  0   0.218  66.7400  130.9891  71.1289
 PHO  H112  H  HCH2  0   0.211  66.3740  131.9764  69.7313
 PHO  H121  H  HCH2  0   0.215  66.1679  129.9480  68.3154
 PHO  H122  H  HCH2  0   0.216  66.6635  128.9371  69.6452
 PHO  H13   H  HCH1  0   0.214  64.3025  128.7519  69.3038
 PHO  H141  H  HCH3  0   0.222  62.7143  130.6286  69.5110
 PHO  H142  H  HCH3  0   0.214  64.0392  131.7612  69.7417
 PHO  H143  H  HCH3  0   0.220  63.8581  130.9208  68.2026
 PHO  H151  H  HCH2  0   0.211  64.5846  130.4550  71.8055
 PHO  H152  H  HCH2  0   0.214  63.3856  129.2292  71.4836
 PHO  H161  H  HCH2  0   0.217  66.3756  128.7614  71.9004
 PHO  H162  H  HCH2  0   0.222  65.1106  128.4804  73.0635
 PHO  H171  H  HCH2  0   0.201  64.1481  126.6892  71.6289
 PHO  H172  H  HCH2  0   0.217  65.3290  127.0261  70.3835
 PHO  H18   H  HCH1  0   0.210  67.1644  126.4152  71.9445
 PHO  H191  H  HCH3  0   0.222  66.6118  125.1243  74.0102
 PHO  H192  H  HCH3  0   0.231  66.0596  126.7870  74.1406
 PHO  H193  H  HCH3  0   0.211  64.9044  125.5020  73.7879
 PHO  H201  H  HCH3  0   0.221  66.7533  123.9593  71.7964
 PHO  H202  H  HCH3  0   0.210  65.0451  124.2635  71.4841
 PHO  H203  H  HCH3  0   0.221  66.2607  124.7785  70.3151
 PHO  HNB   H  HNR5  0   0.445  73.0941  132.0526  77.6532
 PHO  HND   H  HNR5  0   0.450  71.8385  130.9608  76.4515
 PHO  HHB   H  H     0   0.268  76.5283  133.6208  77.0689

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
 PHO  HNB  NB    single    0.860  0.020  1.020
 PHO  HND  ND    single    0.860  0.020  1.020
 PHO  CHA  C1A   aromatic  1.369  0.020  1.369
 PHO  CHA  C4D   aromatic  1.407  0.020  1.407
 PHO  CHA  CBD   single    1.516  0.020  1.516
 PHO  CHB  C4A   aromatic  1.398  0.020  1.398
 PHO  CHB  C1B   aromatic  1.382  0.020  1.382
 PHO  CHB  HHB   single    0.930  0.020  1.080
 PHO  CHC  C4B   aromatic  1.370  0.020  1.370
 PHO  CHC  C1C   aromatic  1.412  0.020  1.412
 PHO  CHC  HHC   single    0.930  0.020  1.080
 PHO  CHD  C4C   aromatic  1.382  0.020  1.382
 PHO  CHD  C1D   aromatic  1.397  0.020  1.397
 PHO  CHD  HHD   single    0.930  0.020  1.080
 PHO  NA   C1A   aromatic  1.355  0.020  1.355
 PHO  NA   C4A   aromatic  1.322  0.020  1.322
 PHO  C1A  C2A   single    1.512  0.020  1.512
 PHO  C2A  C3A   single    1.538  0.020  1.538
 PHO  C2A  CAA   single    1.530  0.020  1.530
 PHO  C2A  H2A   single    0.970  0.020  1.090
 PHO  C3A  C4A   single    1.510  0.020  1.510
 PHO  C3A  CMA   single    1.526  0.020  1.526
 PHO  C3A  H3A   single    0.970  0.020  1.090
 PHO  CMA  HMA1  single    0.970  0.020  1.090
 PHO  CMA  HMA2  single    0.970  0.020  1.090
 PHO  CMA  HMA3  single    0.970  0.020  1.090
 PHO  CAA  CBA   single    1.529  0.020  1.529
 PHO  CAA  HAA1  single    0.970  0.020  1.090
 PHO  CAA  HAA2  single    0.970  0.020  1.090
 PHO  CBA  CGA   single    1.506  0.020  1.506
 PHO  CBA  HBA1  single    0.970  0.020  1.090
 PHO  CBA  HBA2  single    0.970  0.020  1.090
 PHO  CGA  O1A   double    1.207  0.020  1.207
 PHO  CGA  O2A   single    1.325  0.020  1.325
 PHO  O2A  C1    single    1.443  0.020  1.443
 PHO  NB   C1B   aromatic  1.356  0.020  1.356
 PHO  NB   C4B   aromatic  1.369  0.020  1.369
 PHO  C1B  C2B   aromatic  1.441  0.020  1.441
 PHO  C2B  C3B   aromatic  1.368  0.020  1.368
 PHO  C2B  CMB   single    1.488  0.020  1.488
 PHO  C3B  C4B   aromatic  1.449  0.020  1.449
 PHO  C3B  CAB   single    1.458  0.020  1.458
 PHO  CMB  HMB1  single    0.970  0.020  1.090
 PHO  CMB  HMB2  single    0.970  0.020  1.090
 PHO  CMB  HMB3  single    0.970  0.020  1.090
 PHO  CAB  CBB   double    1.333  0.020  1.333
 PHO  CAB  HAB   single    0.930  0.020  1.080
 PHO  CBB  HBB1  single    0.930  0.020  1.080
 PHO  CBB  HBB2  single    0.930  0.020  1.080
 PHO  NC   C1C   aromatic  1.333  0.020  1.333
 PHO  NC   C4C   aromatic  1.366  0.020  1.366
 PHO  C1C  C2C   aromatic  1.455  0.020  1.455
 PHO  C2C  C3C   aromatic  1.360  0.020  1.360
 PHO  C2C  CMC   single    1.490  0.020  1.490
 PHO  C3C  C4C   aromatic  1.453  0.020  1.453
 PHO  C3C  CAC   single    1.493  0.020  1.493
 PHO  CMC  HMC1  single    0.970  0.020  1.090
 PHO  CMC  HMC2  single    0.970  0.020  1.090
 PHO  CMC  HMC3  single    0.970  0.020  1.090
 PHO  CAC  CBC   single    1.529  0.020  1.529
 PHO  CAC  HAC1  single    0.970  0.020  1.090
 PHO  CAC  HAC2  single    0.970  0.020  1.090
 PHO  CBC  HBC1  single    0.970  0.020  1.090
 PHO  CBC  HBC2  single    0.970  0.020  1.090
 PHO  CBC  HBC3  single    0.970  0.020  1.090
 PHO  ND   C1D   aromatic  1.384  0.020  1.384
 PHO  ND   C4D   aromatic  1.329  0.020  1.329
 PHO  C1D  C2D   aromatic  1.414  0.020  1.414
 PHO  C2D  C3D   aromatic  1.395  0.020  1.395
 PHO  C2D  CMD   single    1.485  0.020  1.485
 PHO  C3D  C4D   aromatic  1.403  0.020  1.403
 PHO  C3D  CAD   single    1.442  0.020  1.442
 PHO  CMD  HMD1  single    0.970  0.020  1.090
 PHO  CMD  HMD2  single    0.970  0.020  1.090
 PHO  CMD  HMD3  single    0.970  0.020  1.090
 PHO  CAD  OBD   double    1.209  0.020  1.209
 PHO  CAD  CBD   single    1.564  0.020  1.564
 PHO  CBD  CGD   single    1.509  0.020  1.509
 PHO  CBD  HBD   single    0.970  0.020  1.090
 PHO  CGD  O1D   double    1.203  0.020  1.203
 PHO  CGD  O2D   single    1.323  0.020  1.323
 PHO  O2D  CED   single    1.429  0.020  1.429
 PHO  CED  HED1  single    0.970  0.020  1.090
 PHO  CED  HED2  single    0.970  0.020  1.090
 PHO  CED  HED3  single    0.970  0.020  1.090
 PHO  C1   C2    single    1.498  0.020  1.498
 PHO  C1   H11   single    0.970  0.020  1.090
 PHO  C1   H12   single    0.970  0.020  1.090
 PHO  C2   C3    double    1.335  0.020  1.335
 PHO  C2   H2    single    0.930  0.020  1.080
 PHO  C3   C4    single    1.500  0.020  1.500
 PHO  C3   C5    single    1.508  0.020  1.508
 PHO  C4   H41   single    0.970  0.020  1.090
 PHO  C4   H42   single    0.970  0.020  1.090
 PHO  C4   H43   single    0.970  0.020  1.090
 PHO  C5   C6    single    1.525  0.020  1.525
 PHO  C5   H51   single    0.970  0.020  1.090
 PHO  C5   H52   single    0.970  0.020  1.090
 PHO  C6   C7    single    1.526  0.020  1.526
 PHO  C6   H61   single    0.970  0.020  1.090
 PHO  C6   H62   single    0.970  0.020  1.090
 PHO  C7   C8    single    1.531  0.020  1.531
 PHO  C7   H71   single    0.970  0.020  1.090
 PHO  C7   H72   single    0.970  0.020  1.090
 PHO  C8   C9    single    1.527  0.020  1.527
 PHO  C8   C10   single    1.530  0.020  1.530
 PHO  C8   H8    single    0.970  0.020  1.090
 PHO  C9   H91   single    0.970  0.020  1.090
 PHO  C9   H92   single    0.970  0.020  1.090
 PHO  C9   H93   single    0.970  0.020  1.090
 PHO  C10  C11   single    1.525  0.020  1.525
 PHO  C10  H101  single    0.970  0.020  1.090
 PHO  C10  H102  single    0.970  0.020  1.090
 PHO  C11  C12   single    1.526  0.020  1.526
 PHO  C11  H111  single    0.970  0.020  1.090
 PHO  C11  H112  single    0.970  0.020  1.090
 PHO  C12  C13   single    1.532  0.020  1.532
 PHO  C12  H121  single    0.970  0.020  1.090
 PHO  C12  H122  single    0.970  0.020  1.090
 PHO  C13  C14   single    1.527  0.020  1.527
 PHO  C13  C15   single    1.533  0.020  1.533
 PHO  C13  H13   single    0.970  0.020  1.090
 PHO  C14  H141  single    0.970  0.020  1.090
 PHO  C14  H142  single    0.970  0.020  1.090
 PHO  C14  H143  single    0.970  0.020  1.090
 PHO  C15  C16   single    1.527  0.020  1.527
 PHO  C15  H151  single    0.970  0.020  1.090
 PHO  C15  H152  single    0.970  0.020  1.090
 PHO  C16  C17   single    1.523  0.020  1.523
 PHO  C16  H161  single    0.970  0.020  1.090
 PHO  C16  H162  single    0.970  0.020  1.090
 PHO  C17  C18   single    1.531  0.020  1.531
 PHO  C17  H171  single    0.970  0.020  1.090
 PHO  C17  H172  single    0.970  0.020  1.090
 PHO  C18  C19   single    1.525  0.020  1.525
 PHO  C18  C20   single    1.526  0.020  1.526
 PHO  C18  H18   single    0.970  0.020  1.090
 PHO  C19  H191  single    0.970  0.020  1.090
 PHO  C19  H192  single    0.970  0.020  1.090
 PHO  C19  H193  single    0.970  0.020  1.090
 PHO  C20  H201  single    0.970  0.020  1.090
 PHO  C20  H202  single    0.970  0.020  1.090
 PHO  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
 PHO  CBD   CHA  C4D   105.75  3.000
 PHO  CBD   CHA  C1A   128.60  3.000
 PHO  C4D   CHA  C1A   125.56  3.000
 PHO  HHB   CHB  C1B   115.77  3.000
 PHO  HHB   CHB  C4A   116.48  3.000
 PHO  C1B   CHB  C4A   127.75  3.000
 PHO  HHC   CHC  C1C   116.25  3.000
 PHO  HHC   CHC  C4B   115.56  3.000
 PHO  C1C   CHC  C4B   128.19  3.000
 PHO  HHD   CHD  C1D   116.70  3.000
 PHO  HHD   CHD  C4C   117.98  3.000
 PHO  C1D   CHD  C4C   125.32  3.000
 PHO  C4A   NA   C1A   109.39  3.000
 PHO  C2A   C1A  NA    112.33  3.000
 PHO  C2A   C1A  CHA   126.59  3.000
 PHO  NA    C1A  CHA   121.08  3.000
 PHO  H2A   C2A  CAA   107.49  3.000
 PHO  H2A   C2A  C3A   109.60  3.000
 PHO  CAA   C2A  C3A   113.99  3.000
 PHO  H2A   C2A  C1A   109.61  3.000
 PHO  CAA   C2A  C1A   113.81  3.000
 PHO  C3A   C2A  C1A   102.24  3.000
 PHO  H3A   C3A  CMA   108.22  3.000
 PHO  H3A   C3A  C4A   109.57  3.000
 PHO  CMA   C3A  C4A   112.33  3.000
 PHO  H3A   C3A  C2A   111.29  3.000
 PHO  CMA   C3A  C2A   113.08  3.000
 PHO  C4A   C3A  C2A   102.27  3.000
 PHO  C3A   C4A  NA    113.38  3.000
 PHO  C3A   C4A  CHB   121.60  3.000
 PHO  NA    C4A  CHB   125.01  3.000
 PHO  HMA3  CMA  HMA2  108.01  3.000
 PHO  HMA3  CMA  HMA1  107.70  3.000
 PHO  HMA2  CMA  HMA1  108.14  3.000
 PHO  HMA3  CMA  C3A   110.12  3.000
 PHO  HMA2  CMA  C3A   111.09  3.000
 PHO  HMA1  CMA  C3A   111.65  3.000
 PHO  HAA2  CAA  HAA1  105.67  3.000
 PHO  HAA2  CAA  CBA   109.86  3.000
 PHO  HAA1  CAA  CBA   110.22  3.000
 PHO  HAA2  CAA  C2A   109.28  3.000
 PHO  HAA1  CAA  C2A   107.99  3.000
 PHO  CBA   CAA  C2A   113.51  3.000
 PHO  HBA2  CBA  HBA1  106.43  3.000
 PHO  HBA2  CBA  CGA   108.09  3.000
 PHO  HBA1  CBA  CGA   106.64  3.000
 PHO  HBA2  CBA  CAA   110.45  3.000
 PHO  HBA1  CBA  CAA   111.21  3.000
 PHO  CGA   CBA  CAA   113.67  3.000
 PHO  O2A   CGA  O1A   123.67  3.000
 PHO  O2A   CGA  CBA   112.25  3.000
 PHO  O1A   CGA  CBA   124.07  3.000
 PHO  C1    O2A  CGA   117.73  3.000
 PHO  HNB   NB   C4B   124.50  3.000
 PHO  C4B   NB   C1B   111.27  3.000
 PHO  HNB   NB   C1B   124.15  3.000
 PHO  C2B   C1B  NB    107.00  3.000
 PHO  C2B   C1B  CHB   125.70  3.000
 PHO  NB    C1B  CHB   127.30  3.000
 PHO  CMB   C2B  C3B   128.34  3.000
 PHO  CMB   C2B  C1B   123.92  3.000
 PHO  C3B   C2B  C1B   107.72  3.000
 PHO  CAB   C3B  C4B   126.49  3.000
 PHO  CAB   C3B  C2B   125.71  3.000
 PHO  C4B   C3B  C2B   107.80  3.000
 PHO  C3B   C4B  NB    106.17  3.000
 PHO  C3B   C4B  CHC   127.28  3.000
 PHO  NB    C4B  CHC   126.49  3.000
 PHO  HMB3  CMB  HMB2  107.56  3.000
 PHO  HMB3  CMB  HMB1  107.10  3.000
 PHO  HMB2  CMB  HMB1  107.83  3.000
 PHO  HMB3  CMB  C2B   111.14  3.000
 PHO  HMB2  CMB  C2B   111.73  3.000
 PHO  HMB1  CMB  C2B   111.26  3.000
 PHO  HAB   CAB  CBB   118.28  3.000
 PHO  HAB   CAB  C3B   115.69  3.000
 PHO  CBB   CAB  C3B   125.99  3.000
 PHO  HBB2  CBB  HBB1  116.62  3.000
 PHO  HBB2  CBB  CAB   122.85  3.000
 PHO  HBB1  CBB  CAB   120.52  3.000
 PHO  C4C   NC   C1C   105.92  3.000
 PHO  C2C   C1C  NC    111.64  3.000
 PHO  C2C   C1C  CHC   122.98  3.000
 PHO  NC    C1C  CHC   125.38  3.000
 PHO  CMC   C2C  C3C   128.64  3.000
 PHO  CMC   C2C  C1C   125.45  3.000
 PHO  C3C   C2C  C1C   105.91  3.000
 PHO  CAC   C3C  C4C   125.72  3.000
 PHO  CAC   C3C  C2C   128.45  3.000
 PHO  C4C   C3C  C2C   105.78  3.000
 PHO  C3C   C4C  NC    110.75  3.000
 PHO  C3C   C4C  CHD   124.92  3.000
 PHO  NC    C4C  CHD   124.33  3.000
 PHO  HMC3  CMC  HMC2  106.92  3.000
 PHO  HMC3  CMC  HMC1  107.42  3.000
 PHO  HMC2  CMC  HMC1  107.53  3.000
 PHO  HMC3  CMC  C2C   111.63  3.000
 PHO  HMC2  CMC  C2C   111.77  3.000
 PHO  HMC1  CMC  C2C   111.32  3.000
 PHO  HAC2  CAC  HAC1  105.80  3.000
 PHO  HAC2  CAC  CBC   109.26  3.000
 PHO  HAC1  CAC  CBC   109.41  3.000
 PHO  HAC2  CAC  C3C   109.48  3.000
 PHO  HAC1  CAC  C3C   110.12  3.000
 PHO  CBC   CAC  C3C   112.55  3.000
 PHO  HBC3  CBC  HBC2  107.77  3.000
 PHO  HBC3  CBC  HBC1  107.82  3.000
 PHO  HBC2  CBC  HBC1  108.00  3.000
 PHO  HBC3  CBC  CAC   111.33  3.000
 PHO  HBC2  CBC  CAC   110.91  3.000
 PHO  HBC1  CBC  CAC   110.86  3.000
 PHO  HND   ND   C4D   129.19  3.000
 PHO  C4D   ND   C1D   109.54  3.000
 PHO  HND   ND   C1D   121.27  3.000
 PHO  C2D   C1D  ND    108.34  3.000
 PHO  C2D   C1D  CHD   129.80  3.000
 PHO  ND    C1D  CHD   121.85  3.000
 PHO  CMD   C2D  C3D   127.59  3.000
 PHO  CMD   C2D  C1D   127.29  3.000
 PHO  C3D   C2D  C1D   105.10  3.000
 PHO  CAD   C3D  C4D   108.91  3.000
 PHO  CAD   C3D  C2D   142.22  3.000
 PHO  C4D   C3D  C2D   108.87  3.000
 PHO  C3D   C4D  ND    108.15  3.000
 PHO  C3D   C4D  CHA   114.11  3.000
 PHO  ND    C4D  CHA   137.73  3.000
 PHO  HMD3  CMD  HMD2  107.96  3.000
 PHO  HMD3  CMD  HMD1  107.59  3.000
 PHO  HMD2  CMD  HMD1  106.90  3.000
 PHO  HMD3  CMD  C2D   112.57  3.000
 PHO  HMD2  CMD  C2D   111.15  3.000
 PHO  HMD1  CMD  C2D   110.43  3.000
 PHO  CBD   CAD  OBD   124.28  3.000
 PHO  CBD   CAD  C3D   105.83  3.000
 PHO  OBD   CAD  C3D   129.89  3.000
 PHO  HBD   CBD  CGD   109.49  3.000
 PHO  HBD   CBD  CAD   106.10  3.000
 PHO  CGD   CBD  CAD   108.42  3.000
 PHO  HBD   CBD  CHA   111.83  3.000
 PHO  CGD   CBD  CHA   115.29  3.000
 PHO  CAD   CBD  CHA   105.17  3.000
 PHO  O2D   CGD  O1D   124.39  3.000
 PHO  O2D   CGD  CBD   111.19  3.000
 PHO  O1D   CGD  CBD   124.38  3.000
 PHO  CED   O2D  CGD   117.59  3.000
 PHO  HED3  CED  HED2  109.38  3.000
 PHO  HED3  CED  HED1  109.52  3.000
 PHO  HED2  CED  HED1  109.47  3.000
 PHO  HED3  CED  O2D   111.27  3.000
 PHO  HED2  CED  O2D   111.30  3.000
 PHO  HED1  CED  O2D   105.83  3.000
 PHO  H12   C1   H11   107.73  3.000
 PHO  H12   C1   C2    112.42  3.000
 PHO  H11   C1   C2    110.97  3.000
 PHO  H12   C1   O2A   103.86  3.000
 PHO  H11   C1   O2A   109.96  3.000
 PHO  C2    C1   O2A   111.61  3.000
 PHO  H2    C2   C3    119.36  3.000
 PHO  H2    C2   C1    116.01  3.000
 PHO  C3    C2   C1    124.55  3.000
 PHO  C5    C3   C4    113.59  3.000
 PHO  C5    C3   C2    122.78  3.000
 PHO  C4    C3   C2    123.63  3.000
 PHO  H43   C4   H42   107.69  3.000
 PHO  H43   C4   H41   106.42  3.000
 PHO  H42   C4   H41   107.93  3.000
 PHO  H43   C4   C3    110.23  3.000
 PHO  H42   C4   C3    113.97  3.000
 PHO  H41   C4   C3    110.28  3.000
 PHO  H52   C5   H51   104.77  3.000
 PHO  H52   C5   C6    108.30  3.000
 PHO  H51   C5   C6    109.77  3.000
 PHO  H52   C5   C3    107.87  3.000
 PHO  H51   C5   C3    107.71  3.000
 PHO  C6    C5   C3    117.65  3.000
 PHO  H62   C6   H61   105.58  3.000
 PHO  H62   C6   C7    109.97  3.000
 PHO  H61   C6   C7    109.95  3.000
 PHO  H62   C6   C5    107.33  3.000
 PHO  H61   C6   C5    110.91  3.000
 PHO  C7    C6   C5    112.81  3.000
 PHO  H72   C7   H71   105.90  3.000
 PHO  H72   C7   C8    108.91  3.000
 PHO  H71   C7   C8    108.89  3.000
 PHO  H72   C7   C6    108.85  3.000
 PHO  H71   C7   C6    108.53  3.000
 PHO  C8    C7   C6    115.34  3.000
 PHO  H8    C8   C10   108.19  3.000
 PHO  H8    C8   C9    107.69  3.000
 PHO  C10   C8   C9    111.75  3.000
 PHO  H8    C8   C7    108.01  3.000
 PHO  C10   C8   C7    110.99  3.000
 PHO  C9    C8   C7    110.06  3.000
 PHO  H93   C9   H92   107.48  3.000
 PHO  H93   C9   H91   107.34  3.000
 PHO  H92   C9   H91   107.30  3.000
 PHO  H93   C9   C8    111.07  3.000
 PHO  H92   C9   C8    111.26  3.000
 PHO  H91   C9   C8    112.15  3.000
 PHO  H102  C10  H101  105.83  3.000
 PHO  H102  C10  C11   108.93  3.000
 PHO  H101  C10  C11   108.22  3.000
 PHO  H102  C10  C8    108.41  3.000
 PHO  H101  C10  C8    109.24  3.000
 PHO  C11   C10  C8    115.76  3.000
 PHO  H112  C11  H111  106.18  3.000
 PHO  H112  C11  C12   110.32  3.000
 PHO  H111  C11  C12   109.89  3.000
 PHO  H112  C11  C10   109.55  3.000
 PHO  H111  C11  C10   109.63  3.000
 PHO  C12   C11  C10   111.15  3.000
 PHO  H122  C12  H121  105.34  3.000
 PHO  H122  C12  C13   109.05  3.000
 PHO  H121  C12  C13   108.46  3.000
 PHO  H122  C12  C11   108.41  3.000
 PHO  H121  C12  C11   108.79  3.000
 PHO  C13   C12  C11   116.24  3.000
 PHO  H13   C13  C15   107.88  3.000
 PHO  H13   C13  C14   107.04  3.000
 PHO  C15   C13  C14   109.98  3.000
 PHO  H13   C13  C12   106.29  3.000
 PHO  C15   C13  C12   113.41  3.000
 PHO  C14   C13  C12   111.88  3.000
 PHO  H143  C14  H142  107.68  3.000
 PHO  H143  C14  H141  107.63  3.000
 PHO  H142  C14  H141  107.26  3.000
 PHO  H143  C14  C13   111.38  3.000
 PHO  H142  C14  C13   111.56  3.000
 PHO  H141  C14  C13   111.12  3.000
 PHO  H152  C15  H151  105.58  3.000
 PHO  H152  C15  C16   109.10  3.000
 PHO  H151  C15  C16   108.25  3.000
 PHO  H152  C15  C13   108.31  3.000
 PHO  H151  C15  C13   109.00  3.000
 PHO  C16   C15  C13   116.09  3.000
 PHO  H162  C16  H161  105.42  3.000
 PHO  H162  C16  C17   109.71  3.000
 PHO  H161  C16  C17   108.97  3.000
 PHO  H162  C16  C15   107.95  3.000
 PHO  H161  C16  C15   109.53  3.000
 PHO  C17   C16  C15   114.84  3.000
 PHO  H172  C17  H171  105.85  3.000
 PHO  H172  C17  C18   108.09  3.000
 PHO  H171  C17  C18   109.12  3.000
 PHO  H172  C17  C16   109.54  3.000
 PHO  H171  C17  C16   109.66  3.000
 PHO  C18   C17  C16   114.23  3.000
 PHO  H18   C18  C20   107.92  3.000
 PHO  H18   C18  C19   108.08  3.000
 PHO  C20   C18  C19   110.34  3.000
 PHO  H18   C18  C17   107.55  3.000
 PHO  C20   C18  C17   110.43  3.000
 PHO  C19   C18  C17   112.35  3.000
 PHO  H193  C19  H192  107.72  3.000
 PHO  H193  C19  H191  107.58  3.000
 PHO  H192  C19  H191  107.25  3.000
 PHO  H193  C19  C18   110.69  3.000
 PHO  H192  C19  C18   112.32  3.000
 PHO  H191  C19  C18   111.06  3.000
 PHO  H203  C20  H202  107.67  3.000
 PHO  H203  C20  H201  107.73  3.000
 PHO  H202  C20  H201  107.64  3.000
 PHO  H203  C20  C18   111.40  3.000
 PHO  H202  C20  C18   110.73  3.000
 PHO  H201  C20  C18   111.49  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
 PHO  CONST_01  C4A   NA   C1A  CHA   180.00   0.0  0
 PHO  CONST_02  C1D   ND   C4D  CHA   180.00   0.0  0
 PHO  CONST_03  C2D   C3D  C4D  CHA   180.00   0.0  0
 PHO  CONST_04  C1A   NA   C4A  CHB   180.00   0.0  0
 PHO  CONST_05  C4B   NB   C1B  CHB   180.00   0.0  0
 PHO  CONST_06  C3B   C2B  C1B  CHB   180.00   0.0  0
 PHO  CONST_07  C1B   NB   C4B  CHC   180.00   0.0  0
 PHO  CONST_08  C2B   C3B  C4B  CHC   180.00   0.0  0
 PHO  CONST_09  C4C   NC   C1C  CHC   180.00   0.0  0
 PHO  CONST_10  C3C   C2C  C1C  CHC   180.00   0.0  0
 PHO  CONST_11  C1C   NC   C4C  CHD   180.00   0.0  0
 PHO  CONST_12  C2C   C3C  C4C  CHD   180.00   0.0  0
 PHO  CONST_13  C4D   ND   C1D  CHD   180.00   0.0  0
 PHO  CONST_14  C3D   C2D  C1D  CHD   180.00   0.0  0
 PHO  CONST_15  C4D   CHA  C1A  NA      0.00   0.0  0
 PHO  CONST_16  C1B   CHB  C4A  NA      0.00   0.0  0
 PHO  CONST_17  ND    C4D  CHA  C1A     0.00   0.0  0
 PHO  CONST_18  C3D   C4D  CHA  C1A   180.00   0.0  0
 PHO  CONST_19  NB    C1B  CHB  C4A     0.00   0.0  0
 PHO  CONST_20  C2B   C1B  CHB  C4A   180.00   0.0  0
 PHO  CONST_21  C3B   C2B  C1B  NB      0.00   0.0  0
 PHO  CONST_22  C1C   CHC  C4B  NB      0.00   0.0  0
 PHO  CONST_23  C2B   C3B  C4B  NB      0.00   0.0  0
 PHO  CONST_24  C3B   C4B  NB   C1B     0.00   0.0  0
 PHO  CONST_25  C4B   C3B  C2B  C1B     0.00   0.0  0
 PHO  CONST_26  C4B   NB   C1B  C2B     0.00   0.0  0
 PHO  CONST_27  C1C   CHC  C4B  C3B   180.00   0.0  0
 PHO  CONST_28  NC    C1C  CHC  C4B     0.00   0.0  0
 PHO  CONST_29  C2C   C1C  CHC  C4B   180.00   0.0  0
 PHO  CONST_30  C3C   C2C  C1C  NC      0.00   0.0  0
 PHO  CONST_31  C1D   CHD  C4C  NC      0.00   0.0  0
 PHO  CONST_32  C2C   C3C  C4C  NC      0.00   0.0  0
 PHO  CONST_33  C3C   C4C  NC   C1C     0.00   0.0  0
 PHO  CONST_34  C4C   C3C  C2C  C1C     0.00   0.0  0
 PHO  CONST_35  C4C   NC   C1C  C2C     0.00   0.0  0
 PHO  CONST_36  C1D   CHD  C4C  C3C   180.00   0.0  0
 PHO  CONST_37  ND    C1D  CHD  C4C     0.00   0.0  0
 PHO  CONST_38  C2D   C1D  CHD  C4C   180.00   0.0  0
 PHO  CONST_39  C3D   C2D  C1D  ND      0.00   0.0  0
 PHO  CONST_40  C2D   C3D  C4D  ND      0.00   0.0  0
 PHO  CONST_41  C3D   C4D  ND   C1D     0.00   0.0  0
 PHO  CONST_42  C4D   C3D  C2D  C1D     0.00   0.0  0
 PHO  CONST_43  C4D   ND   C1D  C2D     0.00   0.0  0
 PHO  CONST_44  CMB   C2B  C1B  CHB     0.00   0.0  0
 PHO  CONST_45  CAB   C3B  C4B  CHC     0.00   0.0  0
 PHO  CONST_46  CMC   C2C  C1C  CHC     0.00   0.0  0
 PHO  CONST_47  CAC   C3C  C4C  CHD     0.00   0.0  0
 PHO  CONST_48  CMD   C2D  C1D  CHD     0.00   0.0  0
 PHO  CONST_49  CMB   C2B  C1B  NB    180.00   0.0  0
 PHO  CONST_50  CAB   C3B  C4B  NB    180.00   0.0  0
 PHO  CONST_51  CAB   C3B  C2B  C1B   180.00   0.0  0
 PHO  CONST_52  CMB   C2B  C3B  C4B   180.00   0.0  0
 PHO  CONST_53  CMC   C2C  C1C  NC    180.00   0.0  0
 PHO  CONST_54  CAC   C3C  C4C  NC    180.00   0.0  0
 PHO  CONST_55  CAC   C3C  C2C  C1C   180.00   0.0  0
 PHO  CONST_56  CMC   C2C  C3C  C4C   180.00   0.0  0
 PHO  CONST_57  CMD   C2D  C1D  ND    180.00   0.0  0
 PHO  CONST_58  CMD   C2D  C3D  C4D   180.00   0.0  0
 PHO  CONST_59  CAD   C3D  C2D  CMD     0.00   0.0  0
 PHO  CONST_60  HND   ND   C4D  CHA     0.00   0.0  0
 PHO  CONST_61  HNB   NB   C1B  CHB     0.00   0.0  0
 PHO  CONST_62  HHB   CHB  C4A  NA    180.00   0.0  0
 PHO  CONST_63  HHC   CHC  C4B  NB    180.00   0.0  0
 PHO  CONST_64  HHD   CHD  C4C  NC    180.00   0.0  0
 PHO  Var_01    C3A   C4A  NA   C1A    -2.43  30.0  1
 PHO  Var_02    CBD   CAD  C3D  C2D   175.54  30.0  2
 PHO  Var_03    CBB   CAB  C3B  C2B  -140.61  30.0  2
 PHO  Var_04    CBC   CAC  C3C  C2C    96.14  30.0  2
 PHO  Var_05    HMB1  CMB  C2B  C1B    55.66  30.0  2
 PHO  Var_06    HMC1  CMC  C2C  C1C  -175.49  30.0  2
 PHO  Var_07    HMD1  CMD  C2D  C1D   109.41  30.0  2
 PHO  Var_08    CGA   CBA  CAA  C2A  -165.08  30.0  3
 PHO  Var_09    HBB1  CBB  CAB  C3B   179.34   0.0  2
 PHO  Var_10    HBC1  CBC  CAC  C3C  -179.10  30.0  3
 PHO  Var_11    C4    C3   C2   C1     -2.69   0.0  2
 PHO  Var_12    O1A   CGA  CBA  CAA   139.79  30.0  3
 PHO  Var_13    C2    C1   O2A  CGA   -64.96  30.0  3
 PHO  Var_14    C3    C2   C1   O2A   -66.84  30.0  3
 PHO  Var_15    C6    C5   C3   C2    -22.10  30.0  3
 PHO  Var_16    C7    C6   C5   C3    -65.49  30.0  3
 PHO  Var_17    C8    C7   C6   C5   -174.73  30.0  3
 PHO  Var_18    C12   C11  C10  C8    174.75  30.0  3
 PHO  Var_19    C13   C12  C11  C10   175.37  30.0  3
 PHO  Var_20    C17   C16  C15  C13   -60.48  30.0  3
 PHO  Var_21    C18   C17  C16  C15   175.87  30.0  3
 PHO  Var_22    C19   C18  C17  C16    63.73  30.0  3
 PHO  Var_23    HED1  CED  O2D  CGD   179.79  30.0  3
 PHO  Var_24    H41   C4   C3   C2   -134.41  30.0  3
 PHO  Var_25    H191  C19  C18  C17   179.14  30.0  3
 PHO  Var_26    H201  C20  C18  C17   178.52  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
 PHO  chir_01  C2A  C1A  C3A  CAA  positiv
 PHO  chir_02  C3A  C2A  C4A  CMA  negativ
 PHO  chir_03  CBD  CGD  CAD  CHA  negativ
 PHO  chir_04  C8   C7   C9   C10  positiv
 PHO  chir_05  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
 PHO  plan-1  C1    0.020
 PHO  plan-1  C2    0.020
 PHO  plan-1  C3    0.020
 PHO  plan-1  C4    0.020
 PHO  plan-1  C5    0.020
 PHO  plan-1  H2    0.020
 PHO  plan-2  CHA   0.020
 PHO  plan-2  CHD   0.020
 PHO  plan-2  ND    0.020
 PHO  plan-2  C1D   0.020
 PHO  plan-2  C2D   0.020
 PHO  plan-2  C3D   0.020
 PHO  plan-2  C4D   0.020
 PHO  plan-2  CMD   0.020
 PHO  plan-2  CAD   0.020
 PHO  plan-2  HND   0.020
 PHO  plan-3  CHB   0.020
 PHO  plan-3  CHC   0.020
 PHO  plan-3  NB    0.020
 PHO  plan-3  C1B   0.020
 PHO  plan-3  C2B   0.020
 PHO  plan-3  C3B   0.020
 PHO  plan-3  C4B   0.020
 PHO  plan-3  CMB   0.020
 PHO  plan-3  CAB   0.020
 PHO  plan-3  HNB   0.020
 PHO  plan-4  CHC   0.020
 PHO  plan-4  CHD   0.020
 PHO  plan-4  NC    0.020
 PHO  plan-4  C1C   0.020
 PHO  plan-4  C2C   0.020
 PHO  plan-4  C3C   0.020
 PHO  plan-4  C4C   0.020
 PHO  plan-4  CMC   0.020
 PHO  plan-4  CAC   0.020
 PHO  plan-5  C3D   0.020
 PHO  plan-5  CAD   0.020
 PHO  plan-5  OBD   0.020
 PHO  plan-5  CBD   0.020
 PHO  plan-6  CBA   0.020
 PHO  plan-6  CGA   0.020
 PHO  plan-6  O1A   0.020
 PHO  plan-6  O2A   0.020
 PHO  plan-7  C3B   0.020
 PHO  plan-7  CAB   0.020
 PHO  plan-7  CBB   0.020
 PHO  plan-7  HAB   0.020
 PHO  plan-7  HBB1  0.020
 PHO  plan-7  HBB2  0.020
 PHO  plan-8  CBD   0.020
 PHO  plan-8  CGD   0.020
 PHO  plan-8  O1D   0.020
 PHO  plan-8  O2D   0.020

