# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Mar 19 22:02:41 2022
#   Inital geometry file: a 343 line input string
#   Ligand name: (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)OC(=O)CCCCCCCCCCCCC
#
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
 PDK  PDK  '(10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide'  ligand  151  69  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_PDK
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
 PDK  C     C  C      0   0.391    5.6667   -0.9635  -5.4331
 PDK  N     N  NT     0  -0.400    5.7687   -0.9241  -2.8652
 PDK  O     O  O      0  -0.489    5.5554   -2.2046  -5.3947
 PDK  CA    C  CH2    0  -0.466    5.8266   -0.1872  -4.1030
 PDK  C43   C  CH2    0  -0.379    1.1709   -6.4023   2.0651
 PDK  C44   C  CH2    0  -0.410    0.2583   -5.3819   2.7334
 PDK  C58   C  CH2    0  -0.409  -17.2382    1.8279  -1.9916
 PDK  C59   C  CH2    0  -0.386  -18.5455    2.3905  -2.5351
 PDK  OAD   O  O      0  -0.553   11.2622   -3.4745  -2.7253
 PDK  OAE   O  OC    -1  -0.692   10.0127   -1.6324   1.7183
 PDK  OAF   O  O      0  -0.694   -0.0578   -2.5113  -1.8144
 PDK  OAG   O  O      0  -0.464    2.7706   -1.3929   1.0341
 PDK  OAH   O  O      0  -0.491   -6.2392    5.4239  -0.2617
 PDK  OAI   O  O      0  -0.350   -3.1553    1.5563   3.4491
 PDK  OAJ   O  O      0  -0.859    0.4563    3.0229   1.1462
 PDK  OAL   O  OC    -1  -0.667   11.9889   -1.9841  -4.2115
 PDK  OAM   O  O      0  -0.631    8.5267   -2.8598   0.6058
 PDK  OAN   O  OC    -1  -0.633   -0.6700   -1.6275  -3.7663
 PDK  OAO   O  OP    -1  -0.908    1.4211    4.7772   2.7863
 PDK  CAX   C  CH2    0  -0.419  -16.0908    2.8302  -2.0112
 PDK  CAZ   C  CH2    0  -0.447  -14.7902    2.2599  -1.4598
 PDK  CBB   C  CH2    0  -0.406  -13.6363    3.2547  -1.4703
 PDK  CBD   C  CH2    0  -0.398  -12.3464    2.6764  -0.9025
 PDK  CBE   C  CH2    0  -0.420    0.0142   -4.1371   1.8914
 PDK  CBF   C  CH2    0  -0.405  -11.1855    3.6628  -0.9025
 PDK  CBG   C  CH2    0  -0.426   -0.8946   -3.1258   2.5776
 PDK  CBH   C  CH2    0  -0.455   -9.9104    3.0769  -0.3104
 PDK  CBI   C  CH2    0  -0.355   -1.1213   -1.8781   1.7385
 PDK  CBJ   C  CH2    0  -0.396   -8.7455    4.0586  -0.3090
 PDK  CBK   C  CH2    0  -0.420   -1.9220   -0.8044   2.4601
 PDK  CBL   C  CH2    0  -0.298    2.0435    0.4671   3.0312
 PDK  CBM   C  CH2    0  -0.188    2.0231    1.8224   3.7092
 PDK  CBN   C  CH2    0  -0.629   -7.5003    3.4506   0.3160
 PDK  CBO   C  CH2    0  -0.581   -2.0790    0.4429   1.6079
 PDK  CBP   C  CH2    0  -0.326    6.9302   -1.7580  -2.6258
 PDK  CBQ   C  CH2    0  -0.303    4.4675   -1.4685  -2.5465
 PDK  CBR   C  CH2    0  -0.293    8.0033   -0.9971  -1.8536
 PDK  CBS   C  CH2    0  -0.296    3.5568   -0.3942  -1.9573
 PDK  CBT   C  CH2    0  -0.155   -4.1060    4.6273   1.1114
 PDK  CBU   C  CH2    0  -0.141   -1.8815    4.6988   2.2347
 PDK  CBW   C  CH2    0  -0.464   10.0373   -1.4274  -3.0158
 PDK  CBX   C  CH2    0  -0.420   10.0253   -1.4454  -0.6299
 PDK  CBY   C  CH2    0  -0.405    1.3998   -0.9292  -2.8870
 PDK  CBZ   C  CH2    0  -0.386    1.5683   -0.1437  -0.6534
 PDK  NCA   N  NH1    0  -0.630    1.8234    0.5799   1.6082
 PDK  OCB   O  O2     0  -0.497   -5.3149    3.8765   1.0511
 PDK  OCC   O  O2     0  -0.653    0.7430    2.4377   3.6350
 PDK  OCD   O  O2     0  -0.572   -1.0053    3.9666   3.0612
 PDK  OCE   O  O2     0  -0.536   -2.8515    2.6458   1.5124
 PDK  CCG   C  C      0   0.386   11.2009   -2.3885  -3.3278
 PDK  CCH   C  C      0   0.384    9.4420   -2.0208   0.6741
 PDK  CCI   C  C      0   0.376    0.1110   -1.7759  -2.8008
 PDK  CCJ   C  C      0   0.516    2.1350   -0.3939   0.7351
 PDK  CCK   C  C      0   0.666   -6.3103    4.3686   0.3135
 PDK  CCL   C  C      0   0.630   -2.7580    1.5803   2.3136
 PDK  CCM   C  CH1    0  -0.035   -3.1761    3.9172   2.0663
 PDK  NCO   N  NT     0  -0.402    9.2671   -1.7104  -1.8274
 PDK  NCP   N  NT     0  -0.456    2.2175   -0.8906  -1.6927
 PDK  PCQ   P  P      0   1.339    0.5078    3.6215   2.5285
 PDK  OXT   O  OC    -1  -0.801    5.6792   -0.2491  -6.4569
 PDK  C39   C  CH2    0  -0.369  -19.6873    1.3820  -2.5114
 PDK  C40   C  CH2    0  -0.448  -20.9979    1.9349  -3.0574
 PDK  C41   C  CH3    0  -0.683  -22.1286    0.9159  -3.0266
 PDK  C42   C  CH2    0  -0.375    1.4098   -7.6382   2.9229
 PDK  C431  C  CH2    0  -0.403    2.3201   -8.6688   2.2669
 PDK  C441  C  CH2    0  -0.395    2.5512   -9.9017   3.1316
 PDK  C45   C  CH2    0  -0.416    3.4604  -10.9361   2.4799
 PDK  C46   C  CH2    0  -0.390    3.6870  -12.1707   3.3440
 PDK  C47   C  CH3    0  -0.646    4.5952  -13.1971   2.6814
 PDK  H1A   H  HCH2   0   0.290    6.7819    0.3503  -4.1469
 PDK  H2A   H  HCH2   0   0.230    5.0691    0.6049  -4.0899
 PDK  H143  H  HCH2   0   0.173    0.7390   -6.7024   1.1041
 PDK  H243  H  HCH2   0   0.212    2.1318   -5.9310   1.8303
 PDK  H144  H  HCH2   0   0.159   -0.7016   -5.8553   2.9698
 PDK  H244  H  HCH2   0   0.222    0.6924   -5.0882   3.6958
 PDK  H158  H  HCH2   0   0.199  -17.3941    1.4784  -0.9651
 PDK  H258  H  HCH2   0   0.210  -16.9556    0.9426  -2.5721
 PDK  H159  H  HCH2   0   0.152  -18.8299    3.2753  -1.9548
 PDK  H259  H  HCH2   0   0.183  -18.3917    2.7394  -3.5622
 PDK  H1AX  H  HCH2   0   0.202  -15.9297    3.1773  -3.0377
 PDK  H2AX  H  HCH2   0   0.238  -16.3729    3.7170  -1.4328
 PDK  H1AZ  H  HCH2   0   0.213  -14.9552    1.9109  -0.4345
 PDK  H2AZ  H  HCH2   0   0.208  -14.5090    1.3730  -2.0386
 PDK  H1BB  H  HCH2   0   0.201  -13.4615    3.5978  -2.4959
 PDK  H2BB  H  HCH2   0   0.249  -13.9184    4.1449  -0.8971
 PDK  H1BD  H  HCH2   0   0.133  -12.5260    2.3321   0.1219
 PDK  H2BD  H  HCH2   0   0.265  -12.0648    1.7859  -1.4754
 PDK  H1BE  H  HCH2   0   0.210    0.9684   -3.6524   1.6583
 PDK  H2BE  H  HCH2   0   0.249   -0.4188   -4.4197   0.9260
 PDK  H1BF  H  HCH2   0   0.169  -10.9914    3.9968  -1.9275
 PDK  H2BF  H  HCH2   0   0.258  -11.4688    4.5587  -0.3394
 PDK  H1BG  H  HCH2   0   0.155   -1.8561   -3.5934   2.8180
 PDK  H2BG  H  HCH2   0   0.230   -0.4504   -2.8398   3.5382
 PDK  H1BH  H  HCH2   0   0.208  -10.1083    2.7455   0.7145
 PDK  H2BH  H  HCH2   0   0.235   -9.6288    2.1785  -0.8705
 PDK  H1BI  H  HCH2   0   0.275   -0.1491   -1.4700   1.4543
 PDK  H2BI  H  HCH2   0   0.175   -1.6079   -2.1483   0.7969
 PDK  H1BJ  H  HCH2   0   0.259   -8.5309    4.3710  -1.3337
 PDK  H2BJ  H  HCH2   0   0.225   -9.0307    4.9614   0.2380
 PDK  H1BK  H  HCH2   0   0.242   -2.9036   -1.1955   2.7419
 PDK  H2BK  H  HCH2   0   0.192   -1.4142   -0.5448   3.3932
 PDK  H1BL  H  HCH2   0   0.230    3.0192    0.0168   3.2212
 PDK  H2BL  H  HCH2   0   0.247    1.2950   -0.1867   3.4941
 PDK  H1BM  H  HCH2   0   0.213    2.2643    1.6835   4.7647
 PDK  H2BM  H  HCH2   0   0.254    2.8041    2.4616   3.2845
 PDK  H1BN  H  HCH2   0   0.303   -7.6971    3.1358   1.3447
 PDK  H2BN  H  HCH2   0   0.236   -7.2139    2.5378  -0.2181
 PDK  H1BO  H  HCH2   0   0.268   -1.1008    0.8118   1.2842
 PDK  H2BO  H  HCH2   0   0.286   -2.6262    0.2199   0.6865
 PDK  H1BP  H  HCH2   0   0.231    6.6469   -2.6257  -2.0260
 PDK  H2BP  H  HCH2   0   0.176    7.3420   -2.1626  -3.5587
 PDK  H1BQ  H  HCH2   0   0.259    3.9937   -1.9526  -3.4100
 PDK  H2BQ  H  HCH2   0   0.208    4.5812   -2.2442  -1.7865
 PDK  H1BR  H  HCH2   0   0.182    8.1233    0.0185  -2.2720
 PDK  H2BR  H  HCH2   0   0.217    7.6394   -0.8572  -0.8359
 PDK  H1BS  H  HCH2   0   0.229    4.0114   -0.0689  -1.0191
 PDK  H2BS  H  HCH2   0   0.215    3.5348    0.4961  -2.6093
 PDK  H1BT  H  HCH2   0   0.213   -3.6594    4.7106   0.1168
 PDK  H2BT  H  HCH2   0   0.237   -4.2972    5.6379   1.4791
 PDK  H1BU  H  HCH2   0   0.278   -2.1038    5.6644   2.6970
 PDK  H2BU  H  HCH2   0   0.231   -1.4482    4.9029   1.2501
 PDK  H1BW  H  HCH2   0   0.217   10.4341   -0.3957  -3.0149
 PDK  H2BW  H  HCH2   0   0.249    9.3664   -1.4683  -3.8823
 PDK  H1BX  H  HCH2   0   0.226   10.2053   -0.3644  -0.4793
 PDK  H2BX  H  HCH2   0   0.279   11.0179   -1.8900  -0.7482
 PDK  H1BY  H  HCH2   0   0.267    1.9966   -1.3530  -3.7011
 PDK  H2BY  H  HCH2   0   0.264    1.1284    0.0869  -3.2280
 PDK  H1BZ  H  HCH2   0   0.282    0.5225   -0.4568  -0.5965
 PDK  H2BZ  H  HCH2   0   0.233    1.5540    0.9446  -0.8503
 PDK  HNCA  H  HNH1   0   0.398    1.2796    1.3818   1.2838
 PDK  HCM   H  HCH1   0   0.226   -3.6671    3.7989   3.0353
 PDK  H68   H  HCH2   0   0.246  -19.4005    0.4957  -3.0886
 PDK  H69   H  HCH2   0   0.152  -19.8421    1.0344  -1.4839
 PDK  H70   H  HCH2   0   0.189  -21.2851    2.8203  -2.4819
 PDK  H71   H  HCH2   0   0.257  -20.8454    2.2797  -4.0849
 PDK  H72   H  HCH3   0   0.258  -23.0508    1.3247  -3.4409
 PDK  H73   H  HCH3   0   0.196  -21.8728    0.0267  -3.6059
 PDK  H74   H  HCH3   0   0.223  -22.3416    0.5915  -2.0065
 PDK  H75   H  HCH2   0   0.225    1.8421   -7.3346   3.8829
 PDK  H76   H  HCH2   0   0.163    0.4474   -8.1051   3.1617
 PDK  H77   H  HCH2   0   0.207    1.8904   -8.9732   1.3061
 PDK  H78   H  HCH2   0   0.177    3.2841   -8.2041   2.0318
 PDK  H79   H  HCH2   0   0.230    2.9809   -9.5960   4.0920
 PDK  H80   H  HCH2   0   0.211    1.5864  -10.3645   3.3683
 PDK  H81   H  HCH2   0   0.179    3.0337  -11.2398   1.5174
 PDK  H82   H  HCH2   0   0.235    4.4265  -10.4750   2.2460
 PDK  H83   H  HCH2   0   0.146    4.1151  -11.8669   4.3041
 PDK  H84   H  HCH2   0   0.202    2.7222  -12.6312   3.5776
 PDK  H85   H  HCH3   0   0.219    4.7371  -14.0758   3.3111
 PDK  H86   H  HCH3   0   0.223    4.1780  -13.5351   1.7312
 PDK  H87   H  HCH3   0   0.222    5.5809  -12.7764   2.4748

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
 PDK  C     OXT   deloc   1.248  0.020  1.248
 PDK  C     O     deloc   1.247  0.020  1.247
 PDK  N     CA    single  1.442  0.020  1.442
 PDK  CA    C     single  1.548  0.020  1.548
 PDK  C43   C44   single  1.523  0.020  1.523
 PDK  C44   CBE   single  1.523  0.020  1.523
 PDK  C59   C58   single  1.523  0.020  1.523
 PDK  OAG   CCJ   double  1.221  0.020  1.221
 PDK  OAM   CCH   deloc   1.244  0.020  1.244
 PDK  OAO   PCQ   deloc   1.495  0.020  1.495
 PDK  CAX   C58   single  1.524  0.020  1.524
 PDK  CAX   CAZ   single  1.523  0.020  1.523
 PDK  CBB   CAZ   single  1.524  0.020  1.524
 PDK  CBB   CBD   single  1.523  0.020  1.523
 PDK  CBE   CBG   single  1.523  0.020  1.523
 PDK  CBF   CBH   single  1.523  0.020  1.523
 PDK  CBF   CBD   single  1.523  0.020  1.523
 PDK  CBG   CBI   single  1.521  0.020  1.521
 PDK  CBH   CBJ   single  1.523  0.020  1.523
 PDK  CBI   CBK   single  1.521  0.020  1.521
 PDK  CBJ   CBN   single  1.520  0.020  1.520
 PDK  CBK   CBO   single  1.519  0.020  1.519
 PDK  CBL   NCA   single  1.444  0.020  1.444
 PDK  CBM   CBL   single  1.516  0.020  1.516
 PDK  CBN   CCK   single  1.503  0.020  1.503
 PDK  CBO   CCL   single  1.501  0.020  1.501
 PDK  CBP   CBR   single  1.525  0.020  1.525
 PDK  CBP   N     single  1.450  0.020  1.450
 PDK  CBQ   N     single  1.446  0.020  1.446
 PDK  CBQ   CBS   single  1.527  0.020  1.527
 PDK  CBR   NCO   single  1.451  0.020  1.451
 PDK  CBS   NCP   single  1.453  0.020  1.453
 PDK  CBT   CCM   single  1.510  0.020  1.510
 PDK  CBU   OCD   single  1.410  0.020  1.410
 PDK  CBW   CCG   single  1.541  0.020  1.541
 PDK  CBX   NCO   single  1.442  0.020  1.442
 PDK  CBY   CCI   single  1.545  0.020  1.545
 PDK  CBZ   NCP   single  1.435  0.020  1.435
 PDK  NCA   CCJ   single  1.345  0.020  1.345
 PDK  OCB   CBT   single  1.424  0.020  1.424
 PDK  OCC   CBM   single  1.422  0.020  1.422
 PDK  OCD   PCQ   single  1.641  0.020  1.641
 PDK  OCE   CCM   single  1.424  0.020  1.424
 PDK  CCG   OAL   deloc   1.251  0.020  1.251
 PDK  CCG   OAD   deloc   1.243  0.020  1.243
 PDK  CCH   CBX   single  1.540  0.020  1.540
 PDK  CCH   OAE   deloc   1.252  0.020  1.252
 PDK  CCI   OAF   deloc   1.242  0.020  1.242
 PDK  CCI   OAN   deloc   1.251  0.020  1.251
 PDK  CCJ   CBZ   single  1.520  0.020  1.520
 PDK  CCK   OCB   single  1.333  0.020  1.333
 PDK  CCK   OAH   double  1.204  0.020  1.204
 PDK  CCL   OCE   single  1.336  0.020  1.336
 PDK  CCL   OAI   double  1.203  0.020  1.203
 PDK  CCM   CBU   single  1.522  0.020  1.522
 PDK  NCO   CBW   single  1.444  0.020  1.444
 PDK  NCP   CBY   single  1.448  0.020  1.448
 PDK  PCQ   OAJ   deloc   1.507  0.020  1.507
 PDK  PCQ   OCC   single  1.637  0.020  1.637
 PDK  C59   C39   single  1.524  0.020  1.524
 PDK  C39   C40   single  1.524  0.020  1.524
 PDK  C40   C41   single  1.523  0.020  1.523
 PDK  C43   C42   single  1.523  0.020  1.523
 PDK  C42   C431  single  1.523  0.020  1.523
 PDK  C431  C441  single  1.524  0.020  1.524
 PDK  C441  C45   single  1.524  0.020  1.524
 PDK  C45   C46   single  1.524  0.020  1.524
 PDK  C46   C47   single  1.522  0.020  1.522
 PDK  CA    H1A   single  0.970  0.020  1.090
 PDK  CA    H2A   single  0.970  0.020  1.090
 PDK  C43   H143  single  0.970  0.020  1.090
 PDK  C43   H243  single  0.970  0.020  1.090
 PDK  C44   H144  single  0.970  0.020  1.090
 PDK  C44   H244  single  0.970  0.020  1.090
 PDK  C58   H158  single  0.970  0.020  1.090
 PDK  C58   H258  single  0.970  0.020  1.090
 PDK  C59   H159  single  0.970  0.020  1.090
 PDK  C59   H259  single  0.970  0.020  1.090
 PDK  CAX   H1AX  single  0.970  0.020  1.090
 PDK  CAX   H2AX  single  0.970  0.020  1.090
 PDK  CAZ   H1AZ  single  0.970  0.020  1.090
 PDK  CAZ   H2AZ  single  0.970  0.020  1.090
 PDK  CBB   H1BB  single  0.970  0.020  1.090
 PDK  CBB   H2BB  single  0.970  0.020  1.090
 PDK  CBD   H1BD  single  0.970  0.020  1.090
 PDK  CBD   H2BD  single  0.970  0.020  1.090
 PDK  CBE   H1BE  single  0.970  0.020  1.090
 PDK  CBE   H2BE  single  0.970  0.020  1.090
 PDK  CBF   H1BF  single  0.970  0.020  1.090
 PDK  CBF   H2BF  single  0.970  0.020  1.090
 PDK  CBG   H1BG  single  0.970  0.020  1.090
 PDK  CBG   H2BG  single  0.970  0.020  1.090
 PDK  CBH   H1BH  single  0.970  0.020  1.090
 PDK  CBH   H2BH  single  0.970  0.020  1.090
 PDK  CBI   H1BI  single  0.970  0.020  1.090
 PDK  CBI   H2BI  single  0.970  0.020  1.090
 PDK  CBJ   H1BJ  single  0.970  0.020  1.090
 PDK  CBJ   H2BJ  single  0.970  0.020  1.090
 PDK  CBK   H1BK  single  0.970  0.020  1.090
 PDK  CBK   H2BK  single  0.970  0.020  1.090
 PDK  CBL   H1BL  single  0.970  0.020  1.090
 PDK  CBL   H2BL  single  0.970  0.020  1.090
 PDK  CBM   H1BM  single  0.970  0.020  1.090
 PDK  CBM   H2BM  single  0.970  0.020  1.090
 PDK  CBN   H1BN  single  0.970  0.020  1.090
 PDK  CBN   H2BN  single  0.970  0.020  1.090
 PDK  CBO   H1BO  single  0.970  0.020  1.090
 PDK  CBO   H2BO  single  0.970  0.020  1.090
 PDK  CBP   H1BP  single  0.970  0.020  1.090
 PDK  CBP   H2BP  single  0.970  0.020  1.090
 PDK  CBQ   H1BQ  single  0.970  0.020  1.090
 PDK  CBQ   H2BQ  single  0.970  0.020  1.090
 PDK  CBR   H1BR  single  0.970  0.020  1.090
 PDK  CBR   H2BR  single  0.970  0.020  1.090
 PDK  CBS   H1BS  single  0.970  0.020  1.090
 PDK  CBS   H2BS  single  0.970  0.020  1.090
 PDK  CBT   H1BT  single  0.970  0.020  1.090
 PDK  CBT   H2BT  single  0.970  0.020  1.090
 PDK  CBU   H1BU  single  0.970  0.020  1.090
 PDK  CBU   H2BU  single  0.970  0.020  1.090
 PDK  CBW   H1BW  single  0.970  0.020  1.090
 PDK  CBW   H2BW  single  0.970  0.020  1.090
 PDK  CBX   H1BX  single  0.970  0.020  1.090
 PDK  CBX   H2BX  single  0.970  0.020  1.090
 PDK  CBY   H1BY  single  0.970  0.020  1.090
 PDK  CBY   H2BY  single  0.970  0.020  1.090
 PDK  CBZ   H1BZ  single  0.970  0.020  1.090
 PDK  CBZ   H2BZ  single  0.970  0.020  1.090
 PDK  NCA   HNCA  single  0.860  0.020  1.020
 PDK  CCM   HCM   single  0.970  0.020  1.090
 PDK  C39   H68   single  0.970  0.020  1.090
 PDK  C39   H69   single  0.970  0.020  1.090
 PDK  C40   H70   single  0.970  0.020  1.090
 PDK  C40   H71   single  0.970  0.020  1.090
 PDK  C41   H72   single  0.970  0.020  1.090
 PDK  C41   H73   single  0.970  0.020  1.090
 PDK  C41   H74   single  0.970  0.020  1.090
 PDK  C42   H75   single  0.970  0.020  1.090
 PDK  C42   H76   single  0.970  0.020  1.090
 PDK  C431  H77   single  0.970  0.020  1.090
 PDK  C431  H78   single  0.970  0.020  1.090
 PDK  C441  H79   single  0.970  0.020  1.090
 PDK  C441  H80   single  0.970  0.020  1.090
 PDK  C45   H81   single  0.970  0.020  1.090
 PDK  C45   H82   single  0.970  0.020  1.090
 PDK  C46   H83   single  0.970  0.020  1.090
 PDK  C46   H84   single  0.970  0.020  1.090
 PDK  C47   H85   single  0.970  0.020  1.090
 PDK  C47   H86   single  0.970  0.020  1.090
 PDK  C47   H87   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
 PDK  OXT   C     CA    114.61  3.000
 PDK  CA    C     O     118.81  3.000
 PDK  OXT   C     O     126.57  3.000
 PDK  CBQ   N     CBP   117.90  3.000
 PDK  CBQ   N     CA    114.70  3.000
 PDK  CBP   N     CA    113.80  3.000
 PDK  H2A   CA    H1A   104.38  3.000
 PDK  H2A   CA    N     109.35  3.000
 PDK  H1A   CA    N     108.65  3.000
 PDK  H2A   CA    C     107.53  3.000
 PDK  H1A   CA    C     107.53  3.000
 PDK  N     CA    C     118.50  3.000
 PDK  H243  C43   H143  106.00  3.000
 PDK  H243  C43   C42   109.40  3.000
 PDK  H143  C43   C42   109.48  3.000
 PDK  H243  C43   C44   109.35  3.000
 PDK  H143  C43   C44   109.39  3.000
 PDK  C42   C43   C44   112.98  3.000
 PDK  H244  C44   H144  105.86  3.000
 PDK  H244  C44   CBE   109.27  3.000
 PDK  H144  C44   CBE   109.39  3.000
 PDK  H244  C44   C43   109.11  3.000
 PDK  H144  C44   C43   109.27  3.000
 PDK  CBE   C44   C43   113.64  3.000
 PDK  H258  C58   H158  105.98  3.000
 PDK  H258  C58   CAX   109.29  3.000
 PDK  H158  C58   CAX   109.21  3.000
 PDK  H258  C58   C59   109.31  3.000
 PDK  H158  C58   C59   109.27  3.000
 PDK  CAX   C58   C59   113.50  3.000
 PDK  H259  C59   H159  106.01  3.000
 PDK  H259  C59   C39   109.30  3.000
 PDK  H159  C59   C39   109.38  3.000
 PDK  H259  C59   C58   109.37  3.000
 PDK  H159  C59   C58   109.39  3.000
 PDK  C39   C59   C58   113.15  3.000
 PDK  H2AX  CAX   H1AX  106.03  3.000
 PDK  H2AX  CAX   CAZ   109.37  3.000
 PDK  H1AX  CAX   CAZ   109.40  3.000
 PDK  H2AX  CAX   C58   109.37  3.000
 PDK  H1AX  CAX   C58   109.34  3.000
 PDK  CAZ   CAX   C58   113.08  3.000
 PDK  H2AZ  CAZ   H1AZ  105.97  3.000
 PDK  H2AZ  CAZ   CBB   109.30  3.000
 PDK  H1AZ  CAZ   CBB   109.18  3.000
 PDK  H2AZ  CAZ   CAX   109.33  3.000
 PDK  H1AZ  CAZ   CAX   109.23  3.000
 PDK  CBB   CAZ   CAX   113.56  3.000
 PDK  H2BB  CBB   H1BB  106.05  3.000
 PDK  H2BB  CBB   CBD   109.36  3.000
 PDK  H1BB  CBB   CBD   109.43  3.000
 PDK  H2BB  CBB   CAZ   109.38  3.000
 PDK  H1BB  CBB   CAZ   109.38  3.000
 PDK  CBD   CBB   CAZ   113.01  3.000
 PDK  H2BD  CBD   H1BD  106.00  3.000
 PDK  H2BD  CBD   CBF   109.30  3.000
 PDK  H1BD  CBD   CBF   109.18  3.000
 PDK  H2BD  CBD   CBB   109.35  3.000
 PDK  H1BD  CBD   CBB   109.21  3.000
 PDK  CBF   CBD   CBB   113.54  3.000
 PDK  H2BE  CBE   H1BE  105.72  3.000
 PDK  H2BE  CBE   CBG   109.43  3.000
 PDK  H1BE  CBE   CBG   108.78  3.000
 PDK  H2BE  CBE   C44   109.87  3.000
 PDK  H1BE  CBE   C44   109.87  3.000
 PDK  CBG   CBE   C44   112.92  3.000
 PDK  H2BF  CBF   H1BF  106.11  3.000
 PDK  H2BF  CBF   CBH   109.35  3.000
 PDK  H1BF  CBF   CBH   109.44  3.000
 PDK  H2BF  CBF   CBD   109.42  3.000
 PDK  H1BF  CBF   CBD   109.42  3.000
 PDK  CBH   CBF   CBD   112.88  3.000
 PDK  H2BG  CBG   H1BG  105.94  3.000
 PDK  H2BG  CBG   CBI   109.26  3.000
 PDK  H1BG  CBG   CBI   109.90  3.000
 PDK  H2BG  CBG   CBE   109.04  3.000
 PDK  H1BG  CBG   CBE   109.82  3.000
 PDK  CBI   CBG   CBE   112.65  3.000
 PDK  H2BH  CBH   H1BH  106.06  3.000
 PDK  H2BH  CBH   CBJ   109.42  3.000
 PDK  H1BH  CBH   CBJ   109.41  3.000
 PDK  H2BH  CBH   CBF   109.38  3.000
 PDK  H1BH  CBH   CBF   109.21  3.000
 PDK  CBJ   CBH   CBF   113.12  3.000
 PDK  H2BI  CBI   H1BI  105.34  3.000
 PDK  H2BI  CBI   CBK   110.40  3.000
 PDK  H1BI  CBI   CBK   109.17  3.000
 PDK  H2BI  CBI   CBG   109.79  3.000
 PDK  H1BI  CBI   CBG   108.51  3.000
 PDK  CBK   CBI   CBG   113.31  3.000
 PDK  H2BJ  CBJ   H1BJ  106.52  3.000
 PDK  H2BJ  CBJ   CBN   109.77  3.000
 PDK  H1BJ  CBJ   CBN   109.82  3.000
 PDK  H2BJ  CBJ   CBH   109.46  3.000
 PDK  H1BJ  CBJ   CBH   109.48  3.000
 PDK  CBN   CBJ   CBH   111.65  3.000
 PDK  H2BK  CBK   H1BK  106.37  3.000
 PDK  H2BK  CBK   CBO   109.38  3.000
 PDK  H1BK  CBK   CBO   110.21  3.000
 PDK  H2BK  CBK   CBI   109.13  3.000
 PDK  H1BK  CBK   CBI   110.01  3.000
 PDK  CBO   CBK   CBI   111.58  3.000
 PDK  H2BL  CBL   H1BL  106.91  3.000
 PDK  H2BL  CBL   NCA   111.01  3.000
 PDK  H1BL  CBL   NCA   109.88  3.000
 PDK  H2BL  CBL   CBM   109.58  3.000
 PDK  H1BL  CBL   CBM   107.65  3.000
 PDK  NCA   CBL   CBM   111.65  3.000
 PDK  H2BM  CBM   H1BM  106.96  3.000
 PDK  H2BM  CBM   OCC   111.66  3.000
 PDK  H1BM  CBM   OCC   107.72  3.000
 PDK  H2BM  CBM   CBL   109.81  3.000
 PDK  H1BM  CBM   CBL   108.41  3.000
 PDK  OCC   CBM   CBL   112.07  3.000
 PDK  H2BN  CBN   H1BN  105.41  3.000
 PDK  H2BN  CBN   CCK   107.52  3.000
 PDK  H1BN  CBN   CCK   108.66  3.000
 PDK  H2BN  CBN   CBJ   110.30  3.000
 PDK  H1BN  CBN   CBJ   110.76  3.000
 PDK  CCK   CBN   CBJ   113.80  3.000
 PDK  H2BO  CBO   H1BO  105.45  3.000
 PDK  H2BO  CBO   CCL   108.90  3.000
 PDK  H1BO  CBO   CCL   106.73  3.000
 PDK  H2BO  CBO   CBK   110.90  3.000
 PDK  H1BO  CBO   CBK   110.51  3.000
 PDK  CCL   CBO   CBK   113.91  3.000
 PDK  H2BP  CBP   H1BP  105.74  3.000
 PDK  H2BP  CBP   CBR   110.51  3.000
 PDK  H1BP  CBP   CBR   107.50  3.000
 PDK  H2BP  CBP   N     111.87  3.000
 PDK  H1BP  CBP   N     109.87  3.000
 PDK  CBR   CBP   N     111.12  3.000
 PDK  H2BQ  CBQ   H1BQ  106.21  3.000
 PDK  H2BQ  CBQ   CBS   107.06  3.000
 PDK  H1BQ  CBQ   CBS   110.89  3.000
 PDK  H2BQ  CBQ   N     109.10  3.000
 PDK  H1BQ  CBQ   N     112.40  3.000
 PDK  CBS   CBQ   N     110.91  3.000
 PDK  H2BR  CBR   H1BR  105.78  3.000
 PDK  H2BR  CBR   NCO   109.70  3.000
 PDK  H1BR  CBR   NCO   111.34  3.000
 PDK  H2BR  CBR   CBP   107.57  3.000
 PDK  H1BR  CBR   CBP   110.07  3.000
 PDK  NCO   CBR   CBP   112.12  3.000
 PDK  H2BS  CBS   H1BS  105.99  3.000
 PDK  H2BS  CBS   NCP   111.39  3.000
 PDK  H1BS  CBS   NCP   109.22  3.000
 PDK  H2BS  CBS   CBQ   110.58  3.000
 PDK  H1BS  CBS   CBQ   107.03  3.000
 PDK  NCP   CBS   CBQ   112.32  3.000
 PDK  H2BT  CBT   H1BT  107.90  3.000
 PDK  H2BT  CBT   CCM   109.27  3.000
 PDK  H1BT  CBT   CCM   111.06  3.000
 PDK  H2BT  CBT   OCB   110.69  3.000
 PDK  H1BT  CBT   OCB   110.38  3.000
 PDK  CCM   CBT   OCB   107.55  3.000
 PDK  H2BU  CBU   H1BU  107.23  3.000
 PDK  H2BU  CBU   CCM   109.45  3.000
 PDK  H1BU  CBU   CCM   109.11  3.000
 PDK  H2BU  CBU   OCD   112.22  3.000
 PDK  H1BU  CBU   OCD   109.70  3.000
 PDK  CCM   CBU   OCD   109.08  3.000
 PDK  H2BW  CBW   H1BW  104.77  3.000
 PDK  H2BW  CBW   NCO   108.46  3.000
 PDK  H1BW  CBW   NCO   111.95  3.000
 PDK  H2BW  CBW   CCG   106.18  3.000
 PDK  H1BW  CBW   CCG   108.13  3.000
 PDK  NCO   CBW   CCG   116.56  3.000
 PDK  H2BX  CBX   H1BX  105.32  3.000
 PDK  H2BX  CBX   NCO   108.21  3.000
 PDK  H1BX  CBX   NCO   112.23  3.000
 PDK  H2BX  CBX   CCH   106.46  3.000
 PDK  H1BX  CBX   CCH   108.15  3.000
 PDK  NCO   CBX   CCH   115.81  3.000
 PDK  H2BY  CBY   H1BY  105.09  3.000
 PDK  H2BY  CBY   NCP   111.62  3.000
 PDK  H1BY  CBY   NCP   108.41  3.000
 PDK  H2BY  CBY   CCI   108.44  3.000
 PDK  H1BY  CBY   CCI   106.51  3.000
 PDK  NCP   CBY   CCI   116.09  3.000
 PDK  H2BZ  CBZ   H1BZ  106.18  3.000
 PDK  H2BZ  CBZ   NCP   112.90  3.000
 PDK  H1BZ  CBZ   NCP   108.75  3.000
 PDK  H2BZ  CBZ   CCJ   109.22  3.000
 PDK  H1BZ  CBZ   CCJ   105.18  3.000
 PDK  NCP   CBZ   CCJ   114.02  3.000
 PDK  HNCA  NCA   CCJ   119.05  3.000
 PDK  HNCA  NCA   CBL   117.08  3.000
 PDK  CCJ   NCA   CBL   123.23  3.000
 PDK  CCK   OCB   CBT   117.55  3.000
 PDK  PCQ   OCC   CBM   118.51  3.000
 PDK  PCQ   OCD   CBU   119.48  3.000
 PDK  CCM   OCE   CCL   119.64  3.000
 PDK  CBW   CCG   OAL   114.64  3.000
 PDK  OAL   CCG   OAD   126.41  3.000
 PDK  CBW   CCG   OAD   118.93  3.000
 PDK  CBX   CCH   OAM   118.97  3.000
 PDK  CBX   CCH   OAE   114.69  3.000
 PDK  OAM   CCH   OAE   126.21  3.000
 PDK  CBY   CCI   OAN   114.39  3.000
 PDK  OAN   CCI   OAF   126.77  3.000
 PDK  CBY   CCI   OAF   118.84  3.000
 PDK  NCA   CCJ   CBZ   112.80  3.000
 PDK  CBZ   CCJ   OAG   123.52  3.000
 PDK  NCA   CCJ   OAG   123.65  3.000
 PDK  OCB   CCK   CBN   111.39  3.000
 PDK  OCB   CCK   OAH   122.95  3.000
 PDK  CBN   CCK   OAH   125.66  3.000
 PDK  OCE   CCL   CBO   110.73  3.000
 PDK  OCE   CCL   OAI   123.95  3.000
 PDK  CBO   CCL   OAI   125.31  3.000
 PDK  HCM   CCM   OCE   110.52  3.000
 PDK  HCM   CCM   CBU   109.87  3.000
 PDK  OCE   CCM   CBU   107.92  3.000
 PDK  HCM   CCM   CBT   109.57  3.000
 PDK  CBU   CCM   CBT   110.63  3.000
 PDK  OCE   CCM   CBT   108.31  3.000
 PDK  CBX   NCO   CBW   111.53  3.000
 PDK  CBW   NCO   CBR   110.69  3.000
 PDK  CBX   NCO   CBR   112.49  3.000
 PDK  CBZ   NCP   CBY   110.84  3.000
 PDK  CBY   NCP   CBS   112.31  3.000
 PDK  CBZ   NCP   CBS   111.79  3.000
 PDK  OCD   PCQ   OCC    93.73  3.000
 PDK  OCC   PCQ   OAO   110.76  3.000
 PDK  OCD   PCQ   OAO   110.16  3.000
 PDK  OCC   PCQ   OAJ   109.73  3.000
 PDK  OCD   PCQ   OAJ   110.47  3.000
 PDK  OAO   PCQ   OAJ   119.08  3.000
 PDK  H69   C39   H68   105.93  3.000
 PDK  H69   C39   C40   109.24  3.000
 PDK  H68   C39   C40   109.26  3.000
 PDK  H69   C39   C59   109.30  3.000
 PDK  H68   C39   C59   109.33  3.000
 PDK  C40   C39   C59   113.50  3.000
 PDK  H71   C40   H70   105.98  3.000
 PDK  H71   C40   C41   109.47  3.000
 PDK  H70   C40   C41   109.63  3.000
 PDK  H71   C40   C39   109.33  3.000
 PDK  H70   C40   C39   109.32  3.000
 PDK  C41   C40   C39   112.87  3.000
 PDK  H74   C41   H73   107.44  3.000
 PDK  H74   C41   H72   107.55  3.000
 PDK  H73   C41   H72   107.57  3.000
 PDK  H74   C41   C40   111.27  3.000
 PDK  H73   C41   C40   111.12  3.000
 PDK  H72   C41   C40   111.68  3.000
 PDK  H76   C42   H75   105.87  3.000
 PDK  H76   C42   C431  109.29  3.000
 PDK  H75   C42   C431  109.21  3.000
 PDK  H76   C42   C43   109.31  3.000
 PDK  H75   C42   C43   109.29  3.000
 PDK  C431  C42   C43   113.59  3.000
 PDK  H78   C431  H77   105.94  3.000
 PDK  H78   C431  C441  109.36  3.000
 PDK  H77   C431  C441  109.41  3.000
 PDK  H78   C431  C42   109.34  3.000
 PDK  H77   C431  C42   109.34  3.000
 PDK  C441  C431  C42   113.19  3.000
 PDK  H80   C441  H79   105.89  3.000
 PDK  H80   C441  C45   109.33  3.000
 PDK  H79   C441  C45   109.29  3.000
 PDK  H80   C441  C431  109.31  3.000
 PDK  H79   C441  C431  109.34  3.000
 PDK  C45   C441  C431  113.40  3.000
 PDK  H82   C45   H81   105.81  3.000
 PDK  H82   C45   C46   109.32  3.000
 PDK  H81   C45   C46   109.36  3.000
 PDK  H82   C45   C441  109.37  3.000
 PDK  H81   C45   C441  109.36  3.000
 PDK  C46   C45   C441  113.35  3.000
 PDK  H84   C46   H83   105.93  3.000
 PDK  H84   C46   C47   109.59  3.000
 PDK  H83   C46   C47   109.62  3.000
 PDK  H84   C46   C45   109.32  3.000
 PDK  H83   C46   C45   109.31  3.000
 PDK  C47   C46   C45   112.84  3.000
 PDK  H87   C47   H86   107.45  3.000
 PDK  H87   C47   H85   107.60  3.000
 PDK  H86   C47   H85   107.64  3.000
 PDK  H87   C47   C46   111.17  3.000
 PDK  H86   C47   C46   111.08  3.000
 PDK  H85   C47   C46   111.70  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
 PDK  CONST_01  CBL   NCA   CCJ   OAG      0.00   0.0  0
 PDK  CONST_02  CBZ   CCJ   NCA   CBL    180.00   0.0  0
 PDK  CONST_03  HNCA  NCA   CCJ   OAG    180.00   0.0  0
 PDK  Var_01    CBP   N     CA    C       71.41  30.0  1
 PDK  Var_02    OXT   C     CA    N      177.49  30.0  3
 PDK  Var_03    NCO   CBR   CBP   N     -168.76  30.0  3
 PDK  Var_04    NCP   CBS   CBQ   N      176.88  30.0  3
 PDK  Var_05    CBR   CBP   N     CA      90.40  30.0  2
 PDK  Var_06    CBS   CBQ   N     CA     -79.58  30.0  2
 PDK  Var_07    CBG   CBE   C44   C43   -179.73  30.0  3
 PDK  Var_08    C441  C431  C42   C43   -179.92  30.0  3
 PDK  Var_09    C431  C42   C43   C44    179.95  30.0  3
 PDK  Var_10    CBI   CBG   CBE   C44    179.33  30.0  3
 PDK  Var_11    C40   C39   C59   C58   -179.82  30.0  3
 PDK  Var_12    CBB   CAZ   CAX   C58   -179.82  30.0  3
 PDK  Var_13    CAZ   CAX   C58   C59    179.73  30.0  1
 PDK  Var_14    C41   C40   C39   C59   -179.98  30.0  3
 PDK  Var_15    NCO   CBW   CCG   OAD     13.91  30.0  2
 PDK  Var_16    NCO   CBX   CCH   OAE   -170.92  30.0  3
 PDK  Var_17    NCP   CBY   CCI   OAF     -9.98  30.0  2
 PDK  Var_18    NCP   CBZ   CCJ   OAG    -21.46  30.0  3
 PDK  Var_19    CBJ   CBN   CCK   OAH     -9.18  30.0  2
 PDK  Var_20    CBK   CBO   CCL   OAI      0.20  30.0  2
 PDK  Var_21    C39   C59   C58   CAX   -179.98  30.0  1
 PDK  Var_22    CBD   CBB   CAZ   CAX    179.37  30.0  1
 PDK  Var_23    CBF   CBD   CBB   CAZ   -179.79  30.0  3
 PDK  Var_24    CBH   CBF   CBD   CBB    179.03  30.0  1
 PDK  Var_25    CBJ   CBH   CBF   CBD    179.95  30.0  3
 PDK  Var_26    C42   C43   C44   CBE    179.74  30.0  1
 PDK  Var_27    CBK   CBI   CBG   CBE   -174.74  30.0  3
 PDK  Var_28    CBN   CBJ   CBH   CBF    178.75  30.0  3
 PDK  Var_29    CBO   CBK   CBI   CBG    177.80  30.0  3
 PDK  Var_30    CCK   CBN   CBJ   CBH    178.66  30.0  3
 PDK  Var_31    CCL   CBO   CBK   CBI   -174.97  30.0  3
 PDK  Var_32    CCJ   NCA   CBL   CBM    161.94  30.0  3
 PDK  Var_33    OCD   PCQ   OCC   CBM   -174.59  30.0  2
 PDK  Var_34    CBX   NCO   CBR   CBP   -149.56  30.0  3
 PDK  Var_35    CBZ   NCP   CBS   CBQ    154.40  30.0  3
 PDK  Var_36    CCH   CBX   NCO   CBR     69.05  30.0  1
 PDK  Var_37    CCG   CBW   NCO   CBR   -163.49  30.0  3
 PDK  Var_38    CCJ   CBZ   NCP   CBS    -71.28  30.0  2
 PDK  Var_39    CCI   CBY   NCP   CBS    164.31  30.0  3
 PDK  Var_40    OCC   PCQ   OCD   CBU   -162.62  30.0  3
 PDK  Var_41    OCC   CBM   CBL   NCA     65.23  30.0  1
 PDK  Var_42    CCM   CBT   OCB   CCK    176.49  30.0  3
 PDK  Var_43    C45   C441  C431  C42    179.97  30.0  3
 PDK  Var_44    C46   C45   C441  C431  -179.81  30.0  3
 PDK  Var_45    C47   C46   C45   C441   179.93  30.0  3
 PDK  Var_46    H1BU  CBU   OCD   PCQ   -114.87  30.0  2
 PDK  Var_47    H72   C41   C40   C39   -178.78  30.0  3
 PDK  Var_48    H85   C47   C46   C45   -179.47  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
 PDK  chir_01  CCM  CBT  OCE  CBU  negativ

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
 PDK  plan-1  OAG   0.020
 PDK  plan-1  CBL   0.020
 PDK  plan-1  CBZ   0.020
 PDK  plan-1  NCA   0.020
 PDK  plan-1  CCJ   0.020
 PDK  plan-1  HNCA  0.020
 PDK  plan-2  OAH   0.020
 PDK  plan-2  CBN   0.020
 PDK  plan-2  OCB   0.020
 PDK  plan-2  CCK   0.020
 PDK  plan-3  OAI   0.020
 PDK  plan-3  CBO   0.020
 PDK  plan-3  OCE   0.020
 PDK  plan-3  CCL   0.020
 PDK  plan-4  C     0.020
 PDK  plan-4  O     0.020
 PDK  plan-4  CA    0.020
 PDK  plan-4  OXT   0.020
 PDK  plan-5  OAD   0.020
 PDK  plan-5  OAL   0.020
 PDK  plan-5  CBW   0.020
 PDK  plan-5  CCG   0.020
 PDK  plan-6  OAE   0.020
 PDK  plan-6  OAM   0.020
 PDK  plan-6  CBX   0.020
 PDK  plan-6  CCH   0.020
 PDK  plan-7  OAF   0.020
 PDK  plan-7  OAN   0.020
 PDK  plan-7  CBY   0.020
 PDK  plan-7  CCI   0.020

