# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  9 14:56:46 2020
#   Inital geometry file: a 152 line input string
#   Ligand name: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CO[C@](c1ccc(Cl)cc1)(c2ccc3N(C)C(=O)C=C(c3c2)c4c(F)cccc4F)c5cncn5C
#
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
 JKF  JKF  6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one  ligand  58  36  .  2022-07-25  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_JKF
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
 JKF  CAA   C   CH3   0  -0.422  -2.0426   0.3837  -3.1084
 JKF  CAB   C   CH3   0  -0.540  -1.0240  -1.3500   2.1011
 JKF  CAC   C   CH3   0  -0.568   1.9797   4.9696  -0.0955
 JKF  OAD   O   O     0  -0.489   4.5429   4.1375   0.3495
 JKF  CAH   C   CR16  0  -0.225   4.1768  -3.2456   0.3767
 JKF  CAI   C   CR16  0  -0.421   4.5795  -2.5129  -0.7297
 JKF  CAJ   C   CR16  0  -0.415   3.4412  -2.6568   1.3959
 JKF  CAK   C   CR16  0  -0.198  -4.5324   0.7460   1.2306
 JKF  CAL   C   CR16  0  -0.201  -5.3240  -0.8564  -0.3821
 JKF  CAM   C   CR16  0  -0.329  -3.2475   0.6094   0.7196
 JKF  CAN   C   CR16  0  -0.266  -4.0375  -0.9828  -0.8748
 JKF  CAO   C   CR16  0  -0.308  -0.8821   1.9616  -0.6572
 JKF  CAP   C   CR15  0  -0.229  -0.8029  -2.9740  -1.1060
 JKF  CAQ   C   CR16  0  -0.325   0.0707   2.9416  -0.4754
 JKF  CAR   C   CR15  0   0.079  -0.4346  -3.4446   0.9288
 JKF  CAS   C   CR16  0  -0.516   4.0307   1.8539   0.2682
 JKF  CAT   C   CR16  0  -0.399   0.7634   0.2732  -0.3923
 JKF  NAU   N   N     0  -0.445  -0.3911  -3.9667  -0.2664
 JKF  OAV   O   O2    0  -0.476  -1.6512  -0.7064  -2.3053
 JKF  CAW   C   CR6   0  -0.052  -5.5632   0.0140   0.6714
 JKF  CAX   C   CR6   0   0.570   4.2295  -1.1787  -0.7969
 JKF  CAY   C   CR6   0   0.570   3.1225  -1.3202   1.2806
 JKF  CAZ   C   CR6   0   0.084  -2.9788  -0.2477  -0.3405
 JKF  CBA   C   CR6   0   0.120  -0.5598   0.6000  -0.6065
 JKF  CBB   C   CR6   0   0.308   3.1156   0.8839   0.0959
 JKF  CBC   C   CR6   0  -0.439   3.4963  -0.5419   0.1933
 JKF  CBD   C   CR5   0   0.280  -1.1019  -1.8401  -0.3995
 JKF  CBE   C   CR6   0   0.572   3.6976   3.2656   0.1994
 JKF  CBF   C   CR66  0   0.044   1.7484   1.2393  -0.1795
 JKF  CBG   C   CR66  0   0.386   1.4064   2.6016  -0.2265
 JKF  NBH   N   NR5   0  -0.445  -0.8589  -2.1611   0.9147
 JKF  NBI   N   NR6   0  -0.610   2.3708   3.5692  -0.0361
 JKF  CBJ   C   CT    0   0.076  -1.5762  -0.4999  -0.9084
 JKF  HAA   H   HCH3  0   0.225  -1.2762   1.1615  -3.1627
 JKF  HAAA  H   HCH3  0   0.251  -2.1982  -0.0125  -4.1103
 JKF  HAAB  H   HCH3  0   0.214  -2.9786   0.8428  -2.7760
 JKF  HAB   H   HCH3  0   0.266  -2.0764  -1.2129   2.3395
 JKF  HABA  H   HCH3  0   0.274  -0.5400  -1.8518   2.9346
 JKF  HABB  H   HCH3  0   0.258  -0.5584  -0.3757   1.9741
 JKF  HAC   H   HCH3  0   0.286   2.8488   5.5895   0.0834
 JKF  HACA  H   HCH3  0   0.263   1.5724   5.2118  -1.0762
 JKF  HACB  H   HCH3  0   0.262   1.2309   5.1887   0.6641
 JKF  HAH   H   HCR6  0   0.285   4.4393  -4.2919   0.4465
 JKF  HAI   H   HCR6  0   0.290   5.1493  -2.9686  -1.5277
 JKF  HAJ   H   HCR6  0   0.289   3.1248  -3.2225   2.2616
 JKF  HAK   H   HCR6  0   0.282  -4.7139   1.4183   2.0579
 JKF  HAL   H   HCR6  0   0.281  -6.1292  -1.4360  -0.8124
 JKF  HAM   H   HCR6  0   0.281  -2.4602   1.1878   1.1828
 JKF  HAN   H   HCR6  0   0.271  -3.8637  -1.6745  -1.6889
 JKF  HAO   H   HCR6  0   0.287  -1.8983   2.2824  -0.8459
 JKF  HAP   H   HCR5  0   0.255  -0.8574  -3.1214  -2.1724
 JKF  HAQ   H   HCR6  0   0.294  -0.2406   3.9738  -0.5331
 JKF  HAR   H   HCR5  0   0.278  -0.1748  -3.9427   1.8516
 JKF  HAS   H   HCR6  0   0.280   5.0642   1.6194   0.4849
 JKF  HAT   H   HCR6  0   0.268   1.0633  -0.7665  -0.3935
 JKF  FAE   F   F     0  -0.293   4.5944  -0.4630  -1.8657
 JKF  FAF   F   F     0  -0.294   2.4138  -0.7299   2.2504
 JKF  CLAG  CL  CL    0  -0.127  -7.1704   0.1763   1.2964

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
 JKF  CAA   OAV   single    1.409  0.020  1.409
 JKF  CAA   HAA   single    0.970  0.020  1.090
 JKF  CAA   HAAA  single    0.970  0.020  1.090
 JKF  CAA   HAAB  single    0.970  0.020  1.090
 JKF  NBH   CAB   single    1.447  0.020  1.447
 JKF  CAB   HAB   single    0.970  0.020  1.090
 JKF  CAB   HABA  single    0.970  0.020  1.090
 JKF  CAB   HABB  single    0.970  0.020  1.090
 JKF  CAC   NBI   single    1.455  0.020  1.455
 JKF  CAC   HAC   single    0.970  0.020  1.090
 JKF  CAC   HACA  single    0.970  0.020  1.090
 JKF  CAC   HACB  single    0.970  0.020  1.090
 JKF  OAD   CBE   double    1.224  0.020  1.224
 JKF  CAX   FAE   single    1.337  0.020  1.337
 JKF  FAF   CAY   single    1.338  0.020  1.338
 JKF  CLAG  CAW   single    1.732  0.020  1.732
 JKF  CAJ   CAH   aromatic  1.388  0.020  1.388
 JKF  CAH   CAI   aromatic  1.387  0.020  1.387
 JKF  CAH   HAH   single    0.930  0.020  1.080
 JKF  CAX   CAI   aromatic  1.381  0.020  1.381
 JKF  CAI   HAI   single    0.930  0.020  1.080
 JKF  CAY   CAJ   aromatic  1.379  0.020  1.379
 JKF  CAJ   HAJ   single    0.930  0.020  1.080
 JKF  CAW   CAK   aromatic  1.382  0.020  1.382
 JKF  CAK   CAM   aromatic  1.390  0.020  1.390
 JKF  CAK   HAK   single    0.930  0.020  1.080
 JKF  CAL   CAW   aromatic  1.387  0.020  1.387
 JKF  CAL   CAN   aromatic  1.383  0.020  1.383
 JKF  CAL   HAL   single    0.930  0.020  1.080
 JKF  CAZ   CAM   aromatic  1.389  0.020  1.389
 JKF  CAM   HAM   single    0.930  0.020  1.080
 JKF  CAN   CAZ   aromatic  1.395  0.020  1.395
 JKF  CAN   HAN   single    0.930  0.020  1.080
 JKF  CAQ   CAO   aromatic  1.379  0.020  1.379
 JKF  CAO   CBA   aromatic  1.400  0.020  1.400
 JKF  CAO   HAO   single    0.930  0.020  1.080
 JKF  CAP   CBD   aromatic  1.369  0.020  1.369
 JKF  CAP   NAU   aromatic  1.364  0.020  1.364
 JKF  CAP   HAP   single    0.930  0.020  1.080
 JKF  CAQ   CBG   aromatic  1.401  0.020  1.401
 JKF  CAQ   HAQ   single    0.930  0.020  1.080
 JKF  NAU   CAR   aromatic  1.305  0.020  1.305
 JKF  NBH   CAR   aromatic  1.352  0.020  1.352
 JKF  CAR   HAR   single    0.930  0.020  1.080
 JKF  CBE   CAS   single    1.452  0.020  1.452
 JKF  CAS   CBB   double    1.345  0.020  1.345
 JKF  CAS   HAS   single    0.930  0.020  1.080
 JKF  CBF   CAT   aromatic  1.396  0.020  1.396
 JKF  CBA   CAT   aromatic  1.380  0.020  1.380
 JKF  CAT   HAT   single    0.930  0.020  1.080
 JKF  CBJ   OAV   single    1.414  0.020  1.414
 JKF  CBC   CAX   aromatic  1.387  0.020  1.387
 JKF  CAY   CBC   aromatic  1.388  0.020  1.388
 JKF  CAZ   CBJ   single    1.534  0.020  1.534
 JKF  CBA   CBJ   single    1.528  0.020  1.528
 JKF  CBF   CBB   single    1.439  0.020  1.439
 JKF  CBB   CBC   single    1.479  0.020  1.479
 JKF  CBJ   CBD   single    1.510  0.020  1.510
 JKF  CBD   NBH   aromatic  1.374  0.020  1.374
 JKF  NBI   CBE   single    1.381  0.020  1.381
 JKF  CBG   CBF   aromatic  1.405  0.020  1.405
 JKF  NBI   CBG   single    1.379  0.020  1.379

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
 JKF  HAAB  CAA  HAAA  108.06  3.000
 JKF  HAAB  CAA  HAA   108.44  3.000
 JKF  HAAA  CAA  HAA   108.27  3.000
 JKF  HAAB  CAA  OAV   112.89  3.000
 JKF  HAAA  CAA  OAV   106.42  3.000
 JKF  HAA   CAA  OAV   112.58  3.000
 JKF  HABB  CAB  HABA  108.22  3.000
 JKF  HABB  CAB  HAB   109.08  3.000
 JKF  HABA  CAB  HAB   108.72  3.000
 JKF  HABB  CAB  NBH   110.96  3.000
 JKF  HABA  CAB  NBH   108.62  3.000
 JKF  HAB   CAB  NBH   111.15  3.000
 JKF  HACB  CAC  HACA  109.04  3.000
 JKF  HACB  CAC  HAC   108.76  3.000
 JKF  HACA  CAC  HAC   108.77  3.000
 JKF  HACB  CAC  NBI   110.49  3.000
 JKF  HACA  CAC  NBI   110.56  3.000
 JKF  HAC   CAC  NBI   109.18  3.000
 JKF  HAH   CAH  CAJ   119.46  3.000
 JKF  HAH   CAH  CAI   119.50  3.000
 JKF  CAJ   CAH  CAI   121.04  3.000
 JKF  HAI   CAI  CAX   120.32  3.000
 JKF  HAI   CAI  CAH   121.28  3.000
 JKF  CAX   CAI  CAH   118.41  3.000
 JKF  HAJ   CAJ  CAY   120.43  3.000
 JKF  HAJ   CAJ  CAH   121.39  3.000
 JKF  CAY   CAJ  CAH   118.18  3.000
 JKF  HAK   CAK  CAW   120.90  3.000
 JKF  HAK   CAK  CAM   119.85  3.000
 JKF  CAW   CAK  CAM   119.25  3.000
 JKF  HAL   CAL  CAW   120.67  3.000
 JKF  HAL   CAL  CAN   120.11  3.000
 JKF  CAW   CAL  CAN   119.22  3.000
 JKF  HAM   CAM  CAZ   121.07  3.000
 JKF  HAM   CAM  CAK   117.59  3.000
 JKF  CAZ   CAM  CAK   121.33  3.000
 JKF  HAN   CAN  CAZ   120.20  3.000
 JKF  HAN   CAN  CAL   118.40  3.000
 JKF  CAZ   CAN  CAL   121.40  3.000
 JKF  HAO   CAO  CBA   120.71  3.000
 JKF  HAO   CAO  CAQ   117.47  3.000
 JKF  CBA   CAO  CAQ   121.82  3.000
 JKF  HAP   CAP  CBD   127.79  3.000
 JKF  HAP   CAP  NAU   121.66  3.000
 JKF  CBD   CAP  NAU   110.55  3.000
 JKF  HAQ   CAQ  CBG   121.11  3.000
 JKF  HAQ   CAQ  CAO   118.24  3.000
 JKF  CBG   CAQ  CAO   120.66  3.000
 JKF  HAR   CAR  NBH   121.48  3.000
 JKF  HAR   CAR  NAU   126.15  3.000
 JKF  NBH   CAR  NAU   112.38  3.000
 JKF  HAS   CAS  CBE   116.07  3.000
 JKF  HAS   CAS  CBB   121.30  3.000
 JKF  CBE   CAS  CBB   122.63  3.000
 JKF  HAT   CAT  CBF   118.01  3.000
 JKF  HAT   CAT  CBA   119.55  3.000
 JKF  CBF   CAT  CBA   122.44  3.000
 JKF  CAR   NAU  CAP   105.22  3.000
 JKF  CBJ   OAV  CAA   117.69  3.000
 JKF  CAL   CAW  CAK   120.72  3.000
 JKF  CAL   CAW  CLAG  119.52  3.000
 JKF  CAK   CAW  CLAG  119.75  3.000
 JKF  CBC   CAX  CAI   122.87  3.000
 JKF  CBC   CAX  FAE   117.98  3.000
 JKF  CAI   CAX  FAE   119.14  3.000
 JKF  CBC   CAY  CAJ   123.14  3.000
 JKF  CBC   CAY  FAF   117.56  3.000
 JKF  CAJ   CAY  FAF   119.30  3.000
 JKF  CBJ   CAZ  CAN   117.73  3.000
 JKF  CBJ   CAZ  CAM   124.10  3.000
 JKF  CAN   CAZ  CAM   118.07  3.000
 JKF  CBJ   CBA  CAT   119.88  3.000
 JKF  CBJ   CBA  CAO   122.67  3.000
 JKF  CAT   CBA  CAO   117.18  3.000
 JKF  CBF   CBB  CBC   119.68  3.000
 JKF  CBC   CBB  CAS   120.79  3.000
 JKF  CBF   CBB  CAS   119.53  3.000
 JKF  CBB   CBC  CAY   121.52  3.000
 JKF  CBB   CBC  CAX   122.12  3.000
 JKF  CAY   CBC  CAX   116.36  3.000
 JKF  CBJ   CBD  NBH   125.81  3.000
 JKF  NBH   CBD  CAP   105.16  3.000
 JKF  CBJ   CBD  CAP   129.03  3.000
 JKF  NBI   CBE  CAS   116.24  3.000
 JKF  NBI   CBE  OAD   121.85  3.000
 JKF  CAS   CBE  OAD   121.91  3.000
 JKF  CBG   CBF  CBB   118.49  3.000
 JKF  CBG   CBF  CAT   119.60  3.000
 JKF  CBB   CBF  CAT   121.90  3.000
 JKF  NBI   CBG  CBF   120.34  3.000
 JKF  NBI   CBG  CAQ   121.40  3.000
 JKF  CBF   CBG  CAQ   118.25  3.000
 JKF  CBD   NBH  CAR   106.69  3.000
 JKF  CBD   NBH  CAB   129.28  3.000
 JKF  CAR   NBH  CAB   124.02  3.000
 JKF  CBG   NBI  CBE   122.75  3.000
 JKF  CBG   NBI  CAC   118.79  3.000
 JKF  CBE   NBI  CAC   118.47  3.000
 JKF  CBD   CBJ  CBA   111.31  3.000
 JKF  CBD   CBJ  CAZ   107.96  3.000
 JKF  CBA   CBJ  CAZ   114.63  3.000
 JKF  CBD   CBJ  OAV   102.71  3.000
 JKF  CBA   CBJ  OAV   109.61  3.000
 JKF  CAZ   CBJ  OAV   109.95  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
 JKF  CONST_01  CBC  CAY  CAJ  CAH      0.00   0.0  0
 JKF  CONST_02  CBC  CAX  CAI  CAH      0.00   0.0  0
 JKF  CONST_03  CAY  CAJ  CAH  CAI      0.00   0.0  0
 JKF  CONST_04  CAY  CBC  CAX  CAI      0.00   0.0  0
 JKF  CONST_05  CAX  CAI  CAH  CAJ      0.00   0.0  0
 JKF  CONST_06  CAX  CBC  CAY  CAJ      0.00   0.0  0
 JKF  CONST_07  CAN  CAL  CAW  CAK      0.00   0.0  0
 JKF  CONST_08  CAN  CAZ  CAM  CAK      0.00   0.0  0
 JKF  CONST_09  CAM  CAK  CAW  CAL      0.00   0.0  0
 JKF  CONST_10  CAM  CAZ  CAN  CAL      0.00   0.0  0
 JKF  CONST_11  CBF  CBG  CAQ  CAO      0.00   0.0  0
 JKF  CONST_12  CBF  CAT  CBA  CAO      0.00   0.0  0
 JKF  CONST_13  CAR  NBH  CBD  CAP      0.00   0.0  0
 JKF  CONST_14  NBH  CAR  NAU  CAP      0.00   0.0  0
 JKF  CONST_15  CAT  CBA  CAO  CAQ      0.00   0.0  0
 JKF  CONST_16  CAT  CBF  CBG  CAQ      0.00   0.0  0
 JKF  CONST_17  CBD  CAP  NAU  CAR      0.00   0.0  0
 JKF  CONST_18  NBH  CBD  CAP  NAU      0.00   0.0  0
 JKF  CONST_19  CBD  NBH  CAR  NAU      0.00   0.0  0
 JKF  CONST_20  CAZ  CAM  CAK  CAW      0.00   0.0  0
 JKF  CONST_21  CAZ  CAN  CAL  CAW      0.00   0.0  0
 JKF  CONST_22  CBG  CAQ  CAO  CBA      0.00   0.0  0
 JKF  CONST_23  CBG  CBF  CAT  CBA      0.00   0.0  0
 JKF  CONST_24  CBB  CBC  CAX  CAI    180.00   0.0  0
 JKF  CONST_25  CBB  CBC  CAY  CAJ    180.00   0.0  0
 JKF  CONST_26  CBG  NBI  CBE  CAS      0.00   0.0  0
 JKF  CONST_27  NAU  CAR  NBH  CAB    180.00   0.0  0
 JKF  CONST_28  CAP  CBD  NBH  CAB    180.00   0.0  0
 JKF  CONST_29  CAH  CAI  CAX  FAE    180.00   0.0  0
 JKF  CONST_30  CAY  CBC  CAX  FAE    180.00   0.0  0
 JKF  CONST_31  CBB  CBC  CAX  FAE      0.00   0.0  0
 JKF  CONST_32  CAH  CAJ  CAY  FAF    180.00   0.0  0
 JKF  CONST_33  CAX  CBC  CAY  FAF    180.00   0.0  0
 JKF  CONST_34  CBB  CBC  CAY  FAF      0.00   0.0  0
 JKF  CONST_35  CAM  CAK  CAW  CLAG   180.00   0.0  0
 JKF  CONST_36  CAN  CAL  CAW  CLAG   180.00   0.0  0
 JKF  CONST_37  CBJ  CAZ  CAM  CAK    180.00   0.0  0
 JKF  CONST_38  CBJ  CAZ  CAN  CAL    180.00   0.0  0
 JKF  CONST_39  CBJ  CBA  CAO  CAQ    180.00   0.0  0
 JKF  CONST_40  CBJ  CBD  NBH  CAR    180.00   0.0  0
 JKF  CONST_41  CBJ  CBD  CAP  NAU    180.00   0.0  0
 JKF  CONST_42  CBJ  CBA  CAT  CBF    180.00   0.0  0
 JKF  CONST_43  CAS  CBE  NBI  CAC    180.00   0.0  0
 JKF  CONST_44  CBG  NBI  CBE  OAD    180.00   0.0  0
 JKF  CONST_45  HAJ  CAJ  CAH  CAI    180.00   0.0  0
 JKF  CONST_46  HAI  CAI  CAH  CAJ    180.00   0.0  0
 JKF  CONST_47  HAL  CAL  CAW  CAK    180.00   0.0  0
 JKF  CONST_48  HAK  CAK  CAW  CAL    180.00   0.0  0
 JKF  CONST_49  HAN  CAN  CAZ  CAM    180.00   0.0  0
 JKF  CONST_50  HAM  CAM  CAZ  CAN    180.00   0.0  0
 JKF  CONST_51  HAT  CAT  CBA  CAO    180.00   0.0  0
 JKF  CONST_52  HAR  CAR  NAU  CAP    180.00   0.0  0
 JKF  CONST_53  HAP  CAP  NAU  CAR    180.00   0.0  0
 JKF  CONST_54  HAO  CAO  CBA  CAT    180.00   0.0  0
 JKF  CONST_55  HAH  CAH  CAI  CAX    180.00   0.0  0
 JKF  CONST_56  HAQ  CAQ  CAO  CBA    180.00   0.0  0
 JKF  CONST_57  OAD  CBE  NBI  CAC      0.00   0.0  0
 JKF  Var_01    CAX  CBC  CBB  CAS    -73.28  30.0  2
 JKF  Var_02    HAB  CAB  NBH  CAR   -106.47  30.0  2
 JKF  Var_03    HAC  CAC  NBI  CBE     -1.02  30.0  3
 JKF  Var_04    HAA  CAA  OAV  CBJ     70.69  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
 JKF  chir_01  CBJ  CAZ  CBA  CBD  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
 JKF  plan-1  CAB   0.020
 JKF  plan-1  CAP   0.020
 JKF  plan-1  CAR   0.020
 JKF  plan-1  NAU   0.020
 JKF  plan-1  CBD   0.020
 JKF  plan-1  NBH   0.020
 JKF  plan-1  CBJ   0.020
 JKF  plan-1  HAP   0.020
 JKF  plan-1  HAR   0.020
 JKF  plan-2  CAH   0.020
 JKF  plan-2  CAI   0.020
 JKF  plan-2  CAJ   0.020
 JKF  plan-2  CAX   0.020
 JKF  plan-2  CAY   0.020
 JKF  plan-2  CBB   0.020
 JKF  plan-2  CBC   0.020
 JKF  plan-2  HAH   0.020
 JKF  plan-2  HAI   0.020
 JKF  plan-2  HAJ   0.020
 JKF  plan-2  FAE   0.020
 JKF  plan-2  FAF   0.020
 JKF  plan-3  CAK   0.020
 JKF  plan-3  CAL   0.020
 JKF  plan-3  CAM   0.020
 JKF  plan-3  CAN   0.020
 JKF  plan-3  CAW   0.020
 JKF  plan-3  CAZ   0.020
 JKF  plan-3  CBJ   0.020
 JKF  plan-3  HAK   0.020
 JKF  plan-3  HAL   0.020
 JKF  plan-3  HAM   0.020
 JKF  plan-3  HAN   0.020
 JKF  plan-3  CLAG  0.020
 JKF  plan-4  CAC   0.020
 JKF  plan-4  OAD   0.020
 JKF  plan-4  CAO   0.020
 JKF  plan-4  CAQ   0.020
 JKF  plan-4  CAS   0.020
 JKF  plan-4  CAT   0.020
 JKF  plan-4  CBA   0.020
 JKF  plan-4  CBB   0.020
 JKF  plan-4  CBC   0.020
 JKF  plan-4  CBE   0.020
 JKF  plan-4  CBF   0.020
 JKF  plan-4  CBG   0.020
 JKF  plan-4  NBI   0.020
 JKF  plan-4  CBJ   0.020
 JKF  plan-4  HAO   0.020
 JKF  plan-4  HAQ   0.020
 JKF  plan-4  HAS   0.020
 JKF  plan-4  HAT   0.020

