# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri May  8 05:21:11 2020
#   Inital geometry file: a 143 line input string
#   Ligand name: (4-benzylpiperidin-1-yl){4-[(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)methyl]phenyl}methanone
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O=C(N1CCC(CC1)Cc2ccccc2)c3ccc(CSc4[nH]c5cnccc5n4)cc3
#
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
 IPK  IPK  (4-benzylpiperidin-1-yl){4-[(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)methyl]phenyl}methanone  ligand  58  32  .  2021-08-11  2021-08-11  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_IPK
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
 IPK  OAA   O  O     0  -0.483  -2.7068  -4.0531  -0.4882
 IPK  CAB   C  CR16  0  -0.256  -6.3436   4.7296   0.0481
 IPK  CAC   C  CR16  0  -0.222  -7.0487   3.8480   0.8589
 IPK  CAD   C  CR16  0  -0.220  -5.6697   4.2438  -1.0638
 IPK  CAF   C  CR16  0  -0.290  -7.0759   2.4937   0.5577
 IPK  CAG   C  CR16  0  -0.297  -5.6996   2.8862  -1.3597
 IPK  CAH   C  CR16  0  -0.247   0.9791  -1.9224   1.2676
 IPK  CAI   C  CR16  0  -0.248   1.0637  -2.1758  -1.1158
 IPK  CAJ   C  CR16  0  -0.222  -0.3712  -2.2331   1.2533
 IPK  CAK   C  CR16  0  -0.234  -0.2819  -2.5081  -1.1309
 IPK  CAN   C  CH2   0  -0.395  -4.0577   0.1015   0.0053
 IPK  CAO   C  CH2   0  -0.405  -5.6630  -1.7936  -0.1879
 IPK  CAP   C  CH2   0  -0.304  -3.1813  -0.7648   0.9028
 IPK  CAQ   C  CH2   0  -0.303  -4.7475  -2.6135   0.7104
 IPK  CAS   C  CH2   0  -0.486  -6.4144   0.5176  -0.8492
 IPK  SAW   S  S2    0   0.115   3.2438   0.2975  -0.0649
 IPK  CAX   C  C     0   0.521  -2.4418  -2.9706   0.0217
 IPK  CAY   C  CR6   0   0.101   1.7087  -1.8884   0.0834
 IPK  CAZ   C  CR6   0   0.150  -6.4000   1.9917  -0.5543
 IPK  CBA   C  CR6   0  -0.081  -1.0134  -2.5205   0.0521
 IPK  CBE   C  CH1   0  -0.240  -5.5265  -0.2992   0.0949
 IPK  NBF   N  NT    0  -0.444  -3.3649  -2.1757   0.5961
 IPK  C21   C  CR5   0   0.322   4.9590   0.5470   0.0362
 IPK  C22   C  CR56  0   0.267   6.8353   1.6701   0.0731
 IPK  N2    N  NR15  0  -0.693   5.4751   1.7992  -0.0420
 IPK  N3    N  N     0  -0.468   5.8638  -0.3840   0.1922
 IPK  C23   C  CR56  0   0.244   7.0552   0.2926   0.2187
 IPK  N4    N  N     0  -0.410   9.1333   2.1261   0.2041
 IPK  C24   C  CR16  0  -0.092   7.8919   2.5660   0.0696
 IPK  C25   C  CR16  0  -0.388   8.3652  -0.1555   0.3590
 IPK  C26   C  CR16  0  -0.093   9.3536   0.8130   0.3422
 IPK  HAB   H  HCR6  0   0.236  -6.3229   5.7865   0.2809
 IPK  HAC   H  HCR6  0   0.236  -7.5811   4.2174   1.7262
 IPK  HAD   H  HCR6  0   0.233  -5.1193   4.9211  -1.7044
 IPK  HAF   H  HCR6  0   0.223  -7.6356   1.8164   1.1932
 IPK  HAG   H  HCR6  0   0.222  -5.1728   2.5180  -2.2326
 IPK  HAH   H  HCR6  0   0.239   1.4685  -1.7073   2.2096
 IPK  HAI   H  HCR6  0   0.236   1.6205  -2.1501  -2.0447
 IPK  HAJ   H  HCR6  0   0.251  -0.9224  -2.2594   2.1852
 IPK  HAK   H  HCR6  0   0.245  -0.7631  -2.7471  -2.0704
 IPK  HAN   H  HCH2  0   0.247  -3.9210   1.1461   0.2939
 IPK  HANA  H  HCH2  0   0.208  -3.7134   0.0094  -1.0309
 IPK  HAO   H  HCH2  0   0.217  -5.4185  -1.9960  -1.2359
 IPK  HAOA  H  HCH2  0   0.232  -6.6955  -2.1176  -0.0325
 IPK  HAP   H  HCH2  0   0.270  -2.1399  -0.4802   0.7844
 IPK  HAPA  H  HCH2  0   0.229  -3.4453  -0.5978   1.9518
 IPK  HAQ   H  HCH2  0   0.229  -5.0508  -2.4937   1.7560
 IPK  HAQA  H  HCH2  0   0.263  -4.8123  -3.6716   0.4721
 IPK  HAR   H  HCH2  0   0.290   3.7009  -1.9702  -0.7338
 IPK  HARA  H  HCH2  0   0.293   3.6424  -1.8082   1.0299
 IPK  HAS   H  HCH2  0   0.238  -7.4395   0.1426  -0.7726
 IPK  HASA  H  HCH2  0   0.224  -6.0936   0.3417  -1.8803
 IPK  HBE   H  HCH1  0   0.216  -5.8648  -0.1198   1.1244
 IPK  H23   H  HNR5  0   0.398   4.9596   2.6563  -0.1717
 IPK  H24   H  HCR6  0   0.250   7.7391   3.6341  -0.0398
 IPK  H25   H  HCR6  0   0.249   8.6076  -1.2029   0.4751
 IPK  H26   H  HCR6  0   0.243  10.3910   0.5172   0.4468
 IPK  CAR   C  CH2   0  -0.618   3.1610  -1.5194   0.0972

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
 IPK  OAA  CAX   double    1.226  0.020  1.226
 IPK  CAB  CAC   aromatic  1.390  0.020  1.390
 IPK  CAD  CAB   aromatic  1.388  0.020  1.388
 IPK  CAD  CAG   aromatic  1.390  0.020  1.390
 IPK  CAF  CAC   aromatic  1.388  0.020  1.388
 IPK  CAG  CAZ   aromatic  1.393  0.020  1.393
 IPK  CAI  CAY   aromatic  1.392  0.020  1.392
 IPK  CAJ  CAH   aromatic  1.386  0.020  1.386
 IPK  CAK  CAI   aromatic  1.386  0.020  1.386
 IPK  CAK  CBA   aromatic  1.391  0.020  1.391
 IPK  CAO  CBE   single    1.527  0.020  1.527
 IPK  CAP  CAN   single    1.524  0.020  1.524
 IPK  CAQ  CAO   single    1.522  0.020  1.522
 IPK  CAQ  NBF   single    1.455  0.020  1.455
 IPK  CAR  SAW   single    1.826  0.020  1.826
 IPK  CAX  CBA   single    1.498  0.020  1.498
 IPK  CAX  NBF   single    1.347  0.020  1.347
 IPK  CAY  CAH   aromatic  1.391  0.020  1.391
 IPK  CAY  CAR   single    1.498  0.020  1.498
 IPK  CAZ  CAF   aromatic  1.395  0.020  1.395
 IPK  CAZ  CAS   single    1.503  0.020  1.503
 IPK  CBA  CAJ   aromatic  1.392  0.020  1.392
 IPK  CBE  CAN   single    1.525  0.020  1.525
 IPK  CBE  CAS   single    1.532  0.020  1.532
 IPK  NBF  CAP   single    1.455  0.020  1.455
 IPK  SAW  C21   single    1.736  0.020  1.736
 IPK  N2   C21   aromatic  1.357  0.020  1.357
 IPK  C21  N3    aromatic  1.308  0.020  1.308
 IPK  C22  N2    aromatic  1.371  0.020  1.371
 IPK  N3   C23   aromatic  1.370  0.020  1.370
 IPK  C24  C22   aromatic  1.385  0.020  1.385
 IPK  C22  C23   aromatic  1.403  0.020  1.403
 IPK  C23  C25   aromatic  1.392  0.020  1.392
 IPK  N4   C24   aromatic  1.324  0.020  1.324
 IPK  C25  C26   aromatic  1.384  0.020  1.384
 IPK  N4   C26   aromatic  1.339  0.020  1.339
 IPK  CAB  HAB   single    0.930  0.020  1.080
 IPK  CAC  HAC   single    0.930  0.020  1.080
 IPK  CAD  HAD   single    0.930  0.020  1.080
 IPK  CAF  HAF   single    0.930  0.020  1.080
 IPK  CAG  HAG   single    0.930  0.020  1.080
 IPK  CAH  HAH   single    0.930  0.020  1.080
 IPK  CAI  HAI   single    0.930  0.020  1.080
 IPK  CAJ  HAJ   single    0.930  0.020  1.080
 IPK  CAK  HAK   single    0.930  0.020  1.080
 IPK  CAN  HAN   single    0.970  0.020  1.090
 IPK  CAN  HANA  single    0.970  0.020  1.090
 IPK  CAO  HAO   single    0.970  0.020  1.090
 IPK  CAO  HAOA  single    0.970  0.020  1.090
 IPK  CAP  HAP   single    0.970  0.020  1.090
 IPK  CAP  HAPA  single    0.970  0.020  1.090
 IPK  CAQ  HAQ   single    0.970  0.020  1.090
 IPK  CAQ  HAQA  single    0.970  0.020  1.090
 IPK  CAR  HAR   single    0.970  0.020  1.090
 IPK  CAR  HARA  single    0.970  0.020  1.090
 IPK  CAS  HAS   single    0.970  0.020  1.090
 IPK  CAS  HASA  single    0.970  0.020  1.090
 IPK  CBE  HBE   single    0.970  0.020  1.090
 IPK  N2   H23   single    0.860  0.020  1.020
 IPK  C24  H24   single    0.930  0.020  1.080
 IPK  C25  H25   single    0.930  0.020  1.080
 IPK  C26  H26   single    0.930  0.020  1.080

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
 IPK  HAB   CAB  CAD  120.32  3.000
 IPK  HAB   CAB  CAC  120.24  3.000
 IPK  CAD   CAB  CAC  119.44  3.000
 IPK  HAC   CAC  CAF  119.82  3.000
 IPK  HAC   CAC  CAB  120.02  3.000
 IPK  CAF   CAC  CAB  120.16  3.000
 IPK  HAD   CAD  CAG  119.74  3.000
 IPK  HAD   CAD  CAB  120.12  3.000
 IPK  CAG   CAD  CAB  120.14  3.000
 IPK  HAF   CAF  CAZ  119.51  3.000
 IPK  HAF   CAF  CAC  119.51  3.000
 IPK  CAZ   CAF  CAC  120.98  3.000
 IPK  HAG   CAG  CAZ  119.47  3.000
 IPK  HAG   CAG  CAD  119.52  3.000
 IPK  CAZ   CAG  CAD  121.01  3.000
 IPK  HAH   CAH  CAY  119.90  3.000
 IPK  HAH   CAH  CAJ  119.60  3.000
 IPK  CAY   CAH  CAJ  120.51  3.000
 IPK  HAI   CAI  CAY  119.72  3.000
 IPK  HAI   CAI  CAK  119.69  3.000
 IPK  CAY   CAI  CAK  120.59  3.000
 IPK  HAJ   CAJ  CBA  120.18  3.000
 IPK  HAJ   CAJ  CAH  119.50  3.000
 IPK  CBA   CAJ  CAH  120.32  3.000
 IPK  HAK   CAK  CBA  120.16  3.000
 IPK  HAK   CAK  CAI  119.61  3.000
 IPK  CBA   CAK  CAI  120.23  3.000
 IPK  HANA  CAN  HAN  106.92  3.000
 IPK  HANA  CAN  CBE  109.64  3.000
 IPK  HAN   CAN  CBE  110.88  3.000
 IPK  HANA  CAN  CAP  109.16  3.000
 IPK  HAN   CAN  CAP  108.42  3.000
 IPK  CBE   CAN  CAP  111.70  3.000
 IPK  HAOA  CAO  HAO  106.99  3.000
 IPK  HAOA  CAO  CBE  110.38  3.000
 IPK  HAO   CAO  CBE  109.77  3.000
 IPK  HAOA  CAO  CAQ  108.93  3.000
 IPK  HAO   CAO  CAQ  109.32  3.000
 IPK  CBE   CAO  CAQ  111.35  3.000
 IPK  HAPA  CAP  HAP  107.20  3.000
 IPK  HAPA  CAP  NBF  108.63  3.000
 IPK  HAP   CAP  NBF  110.61  3.000
 IPK  HAPA  CAP  CAN  109.81  3.000
 IPK  HAP   CAP  CAN  109.77  3.000
 IPK  NBF   CAP  CAN  110.75  3.000
 IPK  HAQA  CAQ  HAQ  107.42  3.000
 IPK  HAQA  CAQ  NBF  109.42  3.000
 IPK  HAQ   CAQ  NBF  107.78  3.000
 IPK  HAQA  CAQ  CAO  111.05  3.000
 IPK  HAQ   CAQ  CAO  109.75  3.000
 IPK  NBF   CAQ  CAO  111.29  3.000
 IPK  HASA  CAS  HAS  106.59  3.000
 IPK  HASA  CAS  CBE  108.97  3.000
 IPK  HAS   CAS  CBE  108.48  3.000
 IPK  HASA  CAS  CAZ  109.86  3.000
 IPK  HAS   CAS  CAZ  109.35  3.000
 IPK  CBE   CAS  CAZ  113.35  3.000
 IPK  C21   SAW  CAR  100.52  3.000
 IPK  NBF   CAX  CBA  117.88  3.000
 IPK  NBF   CAX  OAA  123.41  3.000
 IPK  CBA   CAX  OAA  118.68  3.000
 IPK  CAR   CAY  CAI  120.53  3.000
 IPK  CAR   CAY  CAH  120.42  3.000
 IPK  CAI   CAY  CAH  119.03  3.000
 IPK  CAS   CAZ  CAG  121.41  3.000
 IPK  CAS   CAZ  CAF  120.31  3.000
 IPK  CAG   CAZ  CAF  118.27  3.000
 IPK  CAX   CBA  CAK  119.14  3.000
 IPK  CAX   CBA  CAJ  121.29  3.000
 IPK  CAK   CBA  CAJ  119.30  3.000
 IPK  HBE   CBE  CAS  108.18  3.000
 IPK  HBE   CBE  CAO  107.82  3.000
 IPK  CAS   CBE  CAO  110.84  3.000
 IPK  HBE   CBE  CAN  107.99  3.000
 IPK  CAS   CBE  CAN  112.45  3.000
 IPK  CAO   CBE  CAN  109.42  3.000
 IPK  CAX   NBF  CAQ  120.48  3.000
 IPK  CAX   NBF  CAP  125.14  3.000
 IPK  CAQ   NBF  CAP  113.27  3.000
 IPK  N3    C21  N2   113.63  3.000
 IPK  N3    C21  SAW  126.03  3.000
 IPK  N2    C21  SAW  120.34  3.000
 IPK  C24   C22  C23  121.05  3.000
 IPK  C23   C22  N2   104.88  3.000
 IPK  C24   C22  N2   134.07  3.000
 IPK  H23   N2   C22  126.71  3.000
 IPK  H23   N2   C21  126.69  3.000
 IPK  C22   N2   C21  106.60  3.000
 IPK  C23   N3   C21  104.62  3.000
 IPK  C25   C23  N3   131.41  3.000
 IPK  C25   C23  C22  118.32  3.000
 IPK  N3    C23  C22  110.27  3.000
 IPK  C26   N4   C24  119.39  3.000
 IPK  H24   C24  N4   118.01  3.000
 IPK  H24   C24  C22  121.99  3.000
 IPK  N4    C24  C22  120.00  3.000
 IPK  H25   C25  C26  121.27  3.000
 IPK  H25   C25  C23  122.26  3.000
 IPK  C26   C25  C23  116.47  3.000
 IPK  H26   C26  C25  119.44  3.000
 IPK  H26   C26  N4   115.80  3.000
 IPK  C25   C26  N4   124.76  3.000
 IPK  HARA  CAR  HAR  108.96  3.000
 IPK  HARA  CAR  CAY  111.79  3.000
 IPK  HAR   CAR  CAY  111.82  3.000
 IPK  HARA  CAR  SAW  108.66  3.000
 IPK  HAR   CAR  SAW  108.77  3.000
 IPK  CAY   CAR  SAW  106.75  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
 IPK  CONST_01  CAZ  CAF  CAC  CAB     0.00   0.0  0
 IPK  CONST_02  CAZ  CAG  CAD  CAB     0.00   0.0  0
 IPK  CONST_03  CAG  CAD  CAB  CAC     0.00   0.0  0
 IPK  CONST_04  CAG  CAZ  CAF  CAC     0.00   0.0  0
 IPK  CONST_05  CAF  CAC  CAB  CAD     0.00   0.0  0
 IPK  CONST_06  CAF  CAZ  CAG  CAD     0.00   0.0  0
 IPK  CONST_07  CAK  CBA  CAJ  CAH     0.00   0.0  0
 IPK  CONST_08  CAK  CAI  CAY  CAH     0.00   0.0  0
 IPK  CONST_09  CAJ  CAH  CAY  CAI     0.00   0.0  0
 IPK  CONST_10  CAJ  CBA  CAK  CAI     0.00   0.0  0
 IPK  CONST_11  CBA  CAK  CAI  CAY     0.00   0.0  0
 IPK  CONST_12  CBA  CAJ  CAH  CAY     0.00   0.0  0
 IPK  CONST_13  C24  C22  N2   C21   180.00   0.0  0
 IPK  CONST_14  C23  C22  N2   C21     0.00   0.0  0
 IPK  CONST_15  C22  C23  N3   C21     0.00   0.0  0
 IPK  CONST_16  C25  C23  N3   C21   180.00   0.0  0
 IPK  CONST_17  N3   C21  N2   C22     0.00   0.0  0
 IPK  CONST_18  C26  N4   C24  C22     0.00   0.0  0
 IPK  CONST_19  C26  C25  C23  C22     0.00   0.0  0
 IPK  CONST_20  C23  N3   C21  N2      0.00   0.0  0
 IPK  CONST_21  N4   C24  C22  N2    180.00   0.0  0
 IPK  CONST_22  N3   C23  C22  N2      0.00   0.0  0
 IPK  CONST_23  C25  C23  C22  N2    180.00   0.0  0
 IPK  CONST_24  C24  C22  C23  N3    180.00   0.0  0
 IPK  CONST_25  C26  C25  C23  N3    180.00   0.0  0
 IPK  CONST_26  N4   C24  C22  C23     0.00   0.0  0
 IPK  CONST_27  N4   C26  C25  C23     0.00   0.0  0
 IPK  CONST_28  C25  C23  C22  C24     0.00   0.0  0
 IPK  CONST_29  C25  C26  N4   C24     0.00   0.0  0
 IPK  CONST_30  CAS  CAZ  CAF  CAC   180.00   0.0  0
 IPK  CONST_31  CAS  CAZ  CAG  CAD   180.00   0.0  0
 IPK  CONST_32  CAX  CBA  CAJ  CAH   180.00   0.0  0
 IPK  CONST_33  CAX  CBA  CAK  CAI   180.00   0.0  0
 IPK  CONST_34  CAR  CAY  CAH  CAJ   180.00   0.0  0
 IPK  CONST_35  CAR  CAY  CAI  CAK   180.00   0.0  0
 IPK  CONST_36  C22  N2   C21  SAW   180.00   0.0  0
 IPK  CONST_37  C23  N3   C21  SAW   180.00   0.0  0
 IPK  CONST_39  CBA  CAX  NBF  CAQ   180.00   0.0  0
 IPK  CONST_40  HAF  CAF  CAC  CAB   180.00   0.0  0
 IPK  CONST_41  HAG  CAG  CAD  CAB   180.00   0.0  0
 IPK  CONST_42  HAD  CAD  CAB  CAC   180.00   0.0  0
 IPK  CONST_43  HAC  CAC  CAB  CAD   180.00   0.0  0
 IPK  CONST_44  HAB  CAB  CAC  CAF   180.00   0.0  0
 IPK  CONST_45  HAI  CAI  CAY  CAH   180.00   0.0  0
 IPK  CONST_46  HAH  CAH  CAY  CAI   180.00   0.0  0
 IPK  CONST_47  HAK  CAK  CBA  CAJ   180.00   0.0  0
 IPK  CONST_48  HAJ  CAJ  CBA  CAK   180.00   0.0  0
 IPK  CONST_49  H25  C25  C23  C22   180.00   0.0  0
 IPK  CONST_50  H24  C24  C22  N2      0.00   0.0  0
 IPK  CONST_51  H23  N2   C21  N3    180.00   0.0  0
 IPK  CONST_52  H26  C26  C25  C23   180.00   0.0  0
 IPK  CONST_53  CAQ  NBF  CAX  OAA     0.00   0.0  0
 IPK  Var_01    CAQ  NBF  CAP  CAN   -56.91  30.0  1
 IPK  Var_02    CAP  NBF  CAQ  CAO    57.06  30.0  1
 IPK  Var_03    NBF  CAQ  CAO  CBE   -55.05  30.0  1
 IPK  Var_04    NBF  CAP  CAN  CBE    55.28  30.0  1
 IPK  Var_05    CBE  CAS  CAZ  CAF   -74.00  30.0  2
 IPK  Var_06    NBF  CAX  CBA  CAJ    56.53  30.0  2
 IPK  Var_07    SAW  CAR  CAY  CAH   -88.45  30.0  2
 IPK  Var_08    N2   C21  SAW  CAR  -179.99  30.0  2

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
 IPK  chir_01  CBE  CAO  CAN  CAS  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
 IPK  plan-1  CAB  0.020
 IPK  plan-1  CAC  0.020
 IPK  plan-1  CAD  0.020
 IPK  plan-1  CAF  0.020
 IPK  plan-1  CAG  0.020
 IPK  plan-1  CAS  0.020
 IPK  plan-1  CAZ  0.020
 IPK  plan-1  HAB  0.020
 IPK  plan-1  HAC  0.020
 IPK  plan-1  HAD  0.020
 IPK  plan-1  HAF  0.020
 IPK  plan-1  HAG  0.020
 IPK  plan-2  CAH  0.020
 IPK  plan-2  CAI  0.020
 IPK  plan-2  CAJ  0.020
 IPK  plan-2  CAK  0.020
 IPK  plan-2  CAX  0.020
 IPK  plan-2  CAY  0.020
 IPK  plan-2  CBA  0.020
 IPK  plan-2  HAH  0.020
 IPK  plan-2  HAI  0.020
 IPK  plan-2  HAJ  0.020
 IPK  plan-2  HAK  0.020
 IPK  plan-2  CAR  0.020
 IPK  plan-3  SAW  0.020
 IPK  plan-3  C21  0.020
 IPK  plan-3  C22  0.020
 IPK  plan-3  N2   0.020
 IPK  plan-3  N3   0.020
 IPK  plan-3  C23  0.020
 IPK  plan-3  N4   0.020
 IPK  plan-3  C24  0.020
 IPK  plan-3  C25  0.020
 IPK  plan-3  C26  0.020
 IPK  plan-3  H23  0.020
 IPK  plan-3  H24  0.020
 IPK  plan-3  H25  0.020
 IPK  plan-3  H26  0.020
 IPK  plan-4  OAA  0.020
 IPK  plan-4  CAP  0.020
 IPK  plan-4  CAQ  0.020
 IPK  plan-4  CAX  0.020
 IPK  plan-4  CBA  0.020
 IPK  plan-4  NBF  0.020

