# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon May  4 08:49:05 2020
#   Inital geometry file: a 142 line input string
#   Ligand name: 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5cncnc5
#
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
 G0E  G0E  4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide  ligand  56  37  .  2021-08-10  2021-08-10  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_G0E
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
 G0E  FAQ  F  F     0  -0.301  -8.5394  -0.0910  -0.2037
 G0E  CAP  C  CT    0   1.052  -7.4373   0.5906  -0.5248
 G0E  FAR  F  F     0  -0.314  -7.2257   0.3997  -1.8350
 G0E  FAS  F  F     0  -0.314  -7.7232   1.8924  -0.3733
 G0E  CAN  C  CR6   0  -0.172  -6.2495   0.1900   0.2940
 G0E  CAL  C  CR16  0  -0.390  -5.0315   0.7898   0.0109
 G0E  CAO  C  CR16  0  -0.304  -6.3580  -0.7399   1.3181
 G0E  CAM  C  CR16  0  -0.229  -5.2229  -1.0548   2.0493
 G0E  CAK  C  CR16  0  -0.306  -3.9972  -0.4670   1.7812
 G0E  CAJ  C  CR6   0   0.414  -3.8930   0.4694   0.7492
 G0E  NAH  N  NH1   0  -0.772  -2.7159   1.1276   0.3910
 G0E  CAG  C  C     0   0.544  -1.4821   1.0442   0.9534
 G0E  OAI  O  O     0  -0.454  -1.2034   0.2857   1.8649
 G0E  CAA  C  CR6   0  -0.058  -0.4537   1.9504   0.3587
 G0E  CAB  C  CR16  0  -0.286   0.8794   1.5966   0.5336
 G0E  CAC  C  CR16  0  -0.299  -0.7622   3.1326  -0.3086
 G0E  CAE  C  CR16  0  -0.290   0.2572   3.9279  -0.8039
 G0E  CAF  C  CR6   0   0.060   1.5943   3.5687  -0.6768
 G0E  CAT  C  CH3   0  -0.755   2.6758   4.4356  -1.2455
 G0E  CAD  C  CR6   0   0.323   1.8954   2.3795   0.0017
 G0E  NAU  N  NH1   0  -0.779   3.2466   2.0316   0.1608
 G0E  C4   C  CR6   0   0.543   3.7909   0.7992   0.0913
 G0E  N3   N  N     0  -0.518   3.0299  -0.2501  -0.1735
 G0E  C5   C  CR56  0  -0.254   5.1749   0.6041   0.2834
 G0E  CBB  C  CR15  0  -0.115   6.3457   1.3454   0.5588
 G0E  NBC  N  N     0  -0.240   7.3825   0.5475   0.6194
 G0E  NBD  N  NR5   0  -0.380   6.9413  -0.7004   0.3967
 G0E  CBK  C  CH3   0  -0.524   7.8570  -1.8134   0.3785
 G0E  C6   C  CR56  0   0.614   5.6143  -0.7187   0.1838
 G0E  N1   N  N     0  -0.481   4.8489  -1.7810  -0.0716
 G0E  C2   C  CR6   0   0.436   3.5803  -1.4677  -0.2378
 G0E  CBE  C  CR6   0  -0.151   2.6465  -2.5721  -0.5245
 G0E  CBF  C  CR16  0  -0.013   3.0698  -3.8932  -0.6287
 G0E  NBH  N  N     0  -0.388   2.2320  -4.8877  -0.8828
 G0E  CBJ  C  CR16  0   0.055   0.9556  -4.5654  -1.0350
 G0E  NBI  N  N     0  -0.388   0.4386  -3.3486  -0.9568
 G0E  CBG  C  CR16  0  -0.010   1.2834  -2.3594  -0.7026
 G0E  H1   H  HCR6  0   0.290  -4.9536   1.5197  -0.7872
 G0E  H2   H  HCR6  0   0.272  -7.2980  -1.2183   1.5526
 G0E  H3   H  HCR6  0   0.272  -5.2899  -1.7786   2.8501
 G0E  H4   H  HCR6  0   0.292  -3.1390  -0.7416   2.3708
 G0E  H5   H  HNH1  0   0.428  -2.8043   1.7271  -0.4145
 G0E  H6   H  HCR6  0   0.274   1.1226   0.7021   1.0854
 G0E  H7   H  HCR6  0   0.262  -1.7835   3.4703  -0.4296
 G0E  H8   H  HCR6  0   0.264   0.0076   4.8513  -1.3107
 G0E  H9   H  HCH3  0   0.257   3.2985   4.8760  -0.4625
 G0E  H10  H  HCH3  0   0.259   3.3375   3.8740  -1.9072
 G0E  H11  H  HCH3  0   0.266   2.2513   5.2588  -1.8165
 G0E  H12  H  HNH1  0   0.419   3.8928   2.7939   0.2947
 G0E  H13  H  HCR5  0   0.276   6.4654   2.4073   0.7115
 G0E  H14  H  HCH3  0   0.264   8.4367  -1.8336   1.2985
 G0E  H15  H  HCH3  0   0.264   7.2841  -2.7328   0.3007
 G0E  H16  H  HCH3  0   0.262   8.5309  -1.7417  -0.4731
 G0E  H17  H  HCR6  0   0.280   4.1157  -4.1468  -0.5019
 G0E  H18  H  HCR6  0   0.271   0.2678  -5.3768  -1.2445
 G0E  H19  H  HCR6  0   0.277   0.8726  -1.3586  -0.6394

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
 G0E  NBC  CBB  aromatic  1.310  0.020  1.310
 G0E  NBC  NBD  aromatic  1.342  0.020  1.342
 G0E  CBK  NBD  single    1.441  0.020  1.441
 G0E  CBB  C5   aromatic  1.413  0.020  1.413
 G0E  NBD  C6   aromatic  1.344  0.020  1.344
 G0E  C5   C6   aromatic  1.397  0.020  1.397
 G0E  C5   C4   aromatic  1.411  0.020  1.411
 G0E  C6   N1   aromatic  1.334  0.020  1.334
 G0E  C4   NAU  single    1.349  0.020  1.349
 G0E  C4   N3   aromatic  1.323  0.020  1.323
 G0E  NAU  CAD  single    1.404  0.020  1.404
 G0E  N1   C2   aromatic  1.317  0.020  1.317
 G0E  CAT  CAF  single    1.498  0.020  1.498
 G0E  N3   C2   aromatic  1.338  0.020  1.338
 G0E  C2   CBE  single    1.474  0.020  1.474
 G0E  CAD  CAF  aromatic  1.402  0.020  1.402
 G0E  CAD  CAB  aromatic  1.389  0.020  1.389
 G0E  CAF  CAE  aromatic  1.390  0.020  1.390
 G0E  CAB  CAA  aromatic  1.390  0.020  1.390
 G0E  CBE  CBG  aromatic  1.391  0.020  1.391
 G0E  CBE  CBF  aromatic  1.391  0.020  1.391
 G0E  CBG  NBI  aromatic  1.325  0.020  1.325
 G0E  CAE  CAC  aromatic  1.385  0.020  1.385
 G0E  CAA  CAC  aromatic  1.392  0.020  1.392
 G0E  CAA  CAG  single    1.494  0.020  1.494
 G0E  CBF  NBH  aromatic  1.325  0.020  1.325
 G0E  NBI  CBJ  aromatic  1.324  0.020  1.324
 G0E  OAI  CAG  double    1.218  0.020  1.218
 G0E  CAG  NAH  single    1.359  0.020  1.359
 G0E  FAS  CAP  single    1.341  0.020  1.341
 G0E  NBH  CBJ  aromatic  1.325  0.020  1.325
 G0E  NAH  CAJ  single    1.395  0.020  1.395
 G0E  CAL  CAJ  aromatic  1.394  0.020  1.394
 G0E  CAL  CAN  aromatic  1.387  0.020  1.387
 G0E  CAP  FAQ  single    1.335  0.020  1.335
 G0E  CAP  CAN  single    1.497  0.020  1.497
 G0E  CAP  FAR  single    1.341  0.020  1.341
 G0E  CAJ  CAK  aromatic  1.397  0.020  1.397
 G0E  CAN  CAO  aromatic  1.388  0.020  1.388
 G0E  CAK  CAM  aromatic  1.386  0.020  1.386
 G0E  CAO  CAM  aromatic  1.386  0.020  1.386
 G0E  CAL  H1   single    0.930  0.020  1.080
 G0E  CAO  H2   single    0.930  0.020  1.080
 G0E  CAM  H3   single    0.930  0.020  1.080
 G0E  CAK  H4   single    0.930  0.020  1.080
 G0E  NAH  H5   single    0.860  0.020  1.020
 G0E  CAB  H6   single    0.930  0.020  1.080
 G0E  CAC  H7   single    0.930  0.020  1.080
 G0E  CAE  H8   single    0.930  0.020  1.080
 G0E  CAT  H9   single    0.970  0.020  1.090
 G0E  CAT  H10  single    0.970  0.020  1.090
 G0E  CAT  H11  single    0.970  0.020  1.090
 G0E  NAU  H12  single    0.860  0.020  1.020
 G0E  CBB  H13  single    0.930  0.020  1.080
 G0E  CBK  H14  single    0.970  0.020  1.090
 G0E  CBK  H15  single    0.970  0.020  1.090
 G0E  CBK  H16  single    0.970  0.020  1.090
 G0E  CBF  H17  single    0.930  0.020  1.080
 G0E  CBJ  H18  single    0.930  0.020  1.080
 G0E  CBG  H19  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
 G0E  CAN  CAP  FAS  111.53  3.000
 G0E  CAN  CAP  FAR  111.78  3.000
 G0E  FAS  CAP  FAR  106.39  3.000
 G0E  FAR  CAP  FAQ  107.02  3.000
 G0E  CAN  CAP  FAQ  112.75  3.000
 G0E  FAS  CAP  FAQ  107.00  3.000
 G0E  CAO  CAN  CAL  120.61  3.000
 G0E  CAO  CAN  CAP  121.39  3.000
 G0E  CAL  CAN  CAP  117.99  3.000
 G0E  H1   CAL  CAJ  119.06  3.000
 G0E  H1   CAL  CAN  120.30  3.000
 G0E  CAJ  CAL  CAN  120.64  3.000
 G0E  H2   CAO  CAM  119.81  3.000
 G0E  H2   CAO  CAN  121.66  3.000
 G0E  CAM  CAO  CAN  118.52  3.000
 G0E  H3   CAM  CAK  118.82  3.000
 G0E  H3   CAM  CAO  119.46  3.000
 G0E  CAK  CAM  CAO  121.72  3.000
 G0E  H4   CAK  CAJ  121.05  3.000
 G0E  H4   CAK  CAM  119.40  3.000
 G0E  CAJ  CAK  CAM  119.55  3.000
 G0E  NAH  CAJ  CAK  124.65  3.000
 G0E  CAK  CAJ  CAL  118.96  3.000
 G0E  NAH  CAJ  CAL  116.39  3.000
 G0E  H5   NAH  CAG  116.54  3.000
 G0E  H5   NAH  CAJ  114.31  3.000
 G0E  CAG  NAH  CAJ  129.12  3.000
 G0E  CAA  CAG  OAI  121.20  3.000
 G0E  OAI  CAG  NAH  123.76  3.000
 G0E  CAA  CAG  NAH  115.03  3.000
 G0E  CAC  CAA  CAB  119.27  3.000
 G0E  CAC  CAA  CAG  123.59  3.000
 G0E  CAB  CAA  CAG  117.10  3.000
 G0E  H6   CAB  CAD  119.90  3.000
 G0E  H6   CAB  CAA  119.44  3.000
 G0E  CAD  CAB  CAA  120.66  3.000
 G0E  H7   CAC  CAE  118.39  3.000
 G0E  H7   CAC  CAA  121.84  3.000
 G0E  CAE  CAC  CAA  119.74  3.000
 G0E  H8   CAE  CAF  119.01  3.000
 G0E  H8   CAE  CAC  119.18  3.000
 G0E  CAF  CAE  CAC  121.80  3.000
 G0E  CAD  CAF  CAT  121.30  3.000
 G0E  CAD  CAF  CAE  118.03  3.000
 G0E  CAT  CAF  CAE  120.67  3.000
 G0E  H11  CAT  H10  107.92  3.000
 G0E  H11  CAT  H9   107.06  3.000
 G0E  H10  CAT  H9   107.23  3.000
 G0E  H11  CAT  CAF  110.81  3.000
 G0E  H10  CAT  CAF  111.72  3.000
 G0E  H9   CAT  CAF  111.87  3.000
 G0E  NAU  CAD  CAF  118.14  3.000
 G0E  CAF  CAD  CAB  120.43  3.000
 G0E  NAU  CAD  CAB  121.39  3.000
 G0E  H12  NAU  C4   116.04  3.000
 G0E  H12  NAU  CAD  116.38  3.000
 G0E  C4   NAU  CAD  127.50  3.000
 G0E  C5   C4   N3   118.81  3.000
 G0E  N3   C4   NAU  120.18  3.000
 G0E  C5   C4   NAU  121.00  3.000
 G0E  C2   N3   C4   119.66  3.000
 G0E  C6   C5   CBB  104.48  3.000
 G0E  C6   C5   C4   115.44  3.000
 G0E  CBB  C5   C4   140.08  3.000
 G0E  H13  CBB  NBC  120.33  3.000
 G0E  H13  CBB  C5   129.47  3.000
 G0E  NBC  CBB  C5   110.20  3.000
 G0E  NBD  NBC  CBB  107.37  3.000
 G0E  C6   NBD  CBK  127.93  3.000
 G0E  C6   NBD  NBC  111.32  3.000
 G0E  CBK  NBD  NBC  120.74  3.000
 G0E  H16  CBK  H15  109.04  3.000
 G0E  H16  CBK  H14  109.46  3.000
 G0E  H15  CBK  H14  109.03  3.000
 G0E  H16  CBK  NBD  110.63  3.000
 G0E  H15  CBK  NBD  108.63  3.000
 G0E  H14  CBK  NBD  110.01  3.000
 G0E  N1   C6   NBD  127.42  3.000
 G0E  N1   C6   C5   125.95  3.000
 G0E  NBD  C6   C5   106.63  3.000
 G0E  C2   N1   C6   112.79  3.000
 G0E  CBE  C2   N1   117.15  3.000
 G0E  CBE  C2   N3   115.50  3.000
 G0E  N1   C2   N3   127.35  3.000
 G0E  CBG  CBE  CBF  115.71  3.000
 G0E  CBF  CBE  C2   122.22  3.000
 G0E  CBG  CBE  C2   122.07  3.000
 G0E  H17  CBF  NBH  117.20  3.000
 G0E  H17  CBF  CBE  120.48  3.000
 G0E  NBH  CBF  CBE  122.33  3.000
 G0E  CBJ  NBH  CBF  116.65  3.000
 G0E  H18  CBJ  NBI  116.83  3.000
 G0E  H18  CBJ  NBH  116.82  3.000
 G0E  NBI  CBJ  NBH  126.35  3.000
 G0E  CBG  NBI  CBJ  116.63  3.000
 G0E  H19  CBG  NBI  117.31  3.000
 G0E  H19  CBG  CBE  120.35  3.000
 G0E  NBI  CBG  CBE  122.34  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
 G0E  CONST_01  CAK  CAJ  CAL  CAN     0.00   0.0  0
 G0E  CONST_02  CAK  CAM  CAO  CAN     0.00   0.0  0
 G0E  CONST_03  CAM  CAK  CAJ  CAL     0.00   0.0  0
 G0E  CONST_04  CAM  CAO  CAN  CAL     0.00   0.0  0
 G0E  CONST_05  CAJ  CAL  CAN  CAO     0.00   0.0  0
 G0E  CONST_06  CAJ  CAK  CAM  CAO     0.00   0.0  0
 G0E  CONST_07  CAF  CAD  CAB  CAA     0.00   0.0  0
 G0E  CONST_08  CAF  CAE  CAC  CAA     0.00   0.0  0
 G0E  CONST_09  CAE  CAF  CAD  CAB     0.00   0.0  0
 G0E  CONST_10  CAE  CAC  CAA  CAB     0.00   0.0  0
 G0E  CONST_11  CAD  CAF  CAE  CAC     0.00   0.0  0
 G0E  CONST_12  CAD  CAB  CAA  CAC     0.00   0.0  0
 G0E  CONST_13  NBC  CBB  C5   C4    180.00   0.0  0
 G0E  CONST_14  NBD  C6   C5   C4    180.00   0.0  0
 G0E  CONST_15  N1   C6   C5   C4      0.00   0.0  0
 G0E  CONST_16  N1   C2   N3   C4      0.00   0.0  0
 G0E  CONST_17  CBE  C2   N3   C4    180.00   0.0  0
 G0E  CONST_18  CBB  C5   C4   N3    180.00   0.0  0
 G0E  CONST_19  C6   C5   C4   N3      0.00   0.0  0
 G0E  CONST_20  C6   N1   C2   N3      0.00   0.0  0
 G0E  CONST_21  CBG  CBE  C2   N3      0.00   0.0  0
 G0E  CONST_22  CBF  CBE  C2   N3    180.00   0.0  0
 G0E  CONST_23  NBD  NBC  CBB  C5      0.00   0.0  0
 G0E  CONST_24  NBC  NBD  C6   C5      0.00   0.0  0
 G0E  CONST_25  C2   N1   C6   C5      0.00   0.0  0
 G0E  CONST_26  C2   N3   C4   C5      0.00   0.0  0
 G0E  CONST_27  C6   NBD  NBC  CBB     0.00   0.0  0
 G0E  CONST_28  NBD  C6   C5   CBB     0.00   0.0  0
 G0E  CONST_29  N1   C6   C5   CBB   180.00   0.0  0
 G0E  CONST_30  C6   C5   CBB  NBC     0.00   0.0  0
 G0E  CONST_31  N1   C6   NBD  NBC   180.00   0.0  0
 G0E  CONST_32  C2   N1   C6   NBD   180.00   0.0  0
 G0E  CONST_33  CBE  C2   N1   C6    180.00   0.0  0
 G0E  CONST_34  CBG  CBE  C2   N1    180.00   0.0  0
 G0E  CONST_35  CBF  CBE  C2   N1      0.00   0.0  0
 G0E  CONST_36  NBI  CBG  CBE  C2    180.00   0.0  0
 G0E  CONST_37  NBH  CBF  CBE  C2    180.00   0.0  0
 G0E  CONST_38  CBJ  NBI  CBG  CBE     0.00   0.0  0
 G0E  CONST_39  CBJ  NBH  CBF  CBE     0.00   0.0  0
 G0E  CONST_40  NBI  CBG  CBE  CBF     0.00   0.0  0
 G0E  CONST_41  NBI  CBJ  NBH  CBF     0.00   0.0  0
 G0E  CONST_42  CBG  CBE  CBF  NBH     0.00   0.0  0
 G0E  CONST_43  CBG  NBI  CBJ  NBH     0.00   0.0  0
 G0E  CONST_44  CAJ  CAL  CAN  CAP   180.00   0.0  0
 G0E  CONST_45  CAM  CAO  CAN  CAP   180.00   0.0  0
 G0E  CONST_46  NAH  CAJ  CAL  CAN   180.00   0.0  0
 G0E  CONST_47  NAH  CAJ  CAK  CAM   180.00   0.0  0
 G0E  CONST_48  CAD  CAB  CAA  CAG   180.00   0.0  0
 G0E  CONST_49  CAE  CAC  CAA  CAG   180.00   0.0  0
 G0E  CONST_50  NAU  CAD  CAB  CAA   180.00   0.0  0
 G0E  CONST_51  CAT  CAF  CAD  CAB   180.00   0.0  0
 G0E  CONST_52  CAT  CAF  CAE  CAC   180.00   0.0  0
 G0E  CONST_53  NAU  CAD  CAF  CAE   180.00   0.0  0
 G0E  CONST_54  CBB  C5   C4   NAU     0.00   0.0  0
 G0E  CONST_55  C6   C5   C4   NAU   180.00   0.0  0
 G0E  CONST_56  C2   N3   C4   NAU   180.00   0.0  0
 G0E  CONST_57  CBK  NBD  C6   C5    180.00   0.0  0
 G0E  CONST_58  CBK  NBD  NBC  CBB   180.00   0.0  0
 G0E  CONST_59  N1   C6   NBD  CBK     0.00   0.0  0
 G0E  CONST_60  H3   CAM  CAO  CAN   180.00   0.0  0
 G0E  CONST_61  H4   CAK  CAJ  CAL   180.00   0.0  0
 G0E  CONST_62  H2   CAO  CAN  CAL   180.00   0.0  0
 G0E  CONST_63  H1   CAL  CAN  CAO   180.00   0.0  0
 G0E  CONST_64  H8   CAE  CAC  CAA   180.00   0.0  0
 G0E  CONST_65  H7   CAC  CAA  CAB   180.00   0.0  0
 G0E  CONST_66  H6   CAB  CAA  CAC   180.00   0.0  0
 G0E  CONST_67  H13  CBB  C5   C4      0.00   0.0  0
 G0E  CONST_68  H19  CBG  CBE  C2      0.00   0.0  0
 G0E  CONST_69  H17  CBF  CBE  C2      0.00   0.0  0
 G0E  CONST_70  H18  CBJ  NBH  CBF   180.00   0.0  0
 G0E  CONST_71  CAA  CAG  NAH  CAJ   180.00   0.0  0
 G0E  CONST_72  CAG  NAH  CAJ  CAL   180.00   0.0  0
 G0E  CONST_73  CAG  NAH  CAJ  CAK     0.00   0.0  0
 G0E  CONST_74  H5   NAH  CAJ  CAL     0.00   0.0  0
 G0E  CONST_75  OAI  CAG  NAH  CAJ     0.00   0.0  0
 G0E  Var_01    C4   NAU  CAD  CAB    40.21  30.0  3
 G0E  Var_02    C5   C4   NAU  CAD  -179.56  30.0  3
 G0E  Var_03    CAL  CAN  CAP  FAQ   177.28  30.0  2
 G0E  Var_04    CAB  CAA  CAG  NAH  -157.62  30.0  2
 G0E  Var_05    H9   CAT  CAF  CAE   113.58  30.0  2
 G0E  Var_06    H14  CBK  NBD  NBC    54.12  30.0  2

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
 G0E  plan-1  CAP  0.020
 G0E  plan-1  CAN  0.020
 G0E  plan-1  CAL  0.020
 G0E  plan-1  CAO  0.020
 G0E  plan-1  CAM  0.020
 G0E  plan-1  CAK  0.020
 G0E  plan-1  CAJ  0.020
 G0E  plan-1  NAH  0.020
 G0E  plan-1  H1   0.020
 G0E  plan-1  H2   0.020
 G0E  plan-1  H3   0.020
 G0E  plan-1  H4   0.020
 G0E  plan-2  CAG  0.020
 G0E  plan-2  CAA  0.020
 G0E  plan-2  CAB  0.020
 G0E  plan-2  CAC  0.020
 G0E  plan-2  CAE  0.020
 G0E  plan-2  CAF  0.020
 G0E  plan-2  CAT  0.020
 G0E  plan-2  CAD  0.020
 G0E  plan-2  NAU  0.020
 G0E  plan-2  H6   0.020
 G0E  plan-2  H7   0.020
 G0E  plan-2  H8   0.020
 G0E  plan-3  C2   0.020
 G0E  plan-3  CBE  0.020
 G0E  plan-3  CBF  0.020
 G0E  plan-3  NBH  0.020
 G0E  plan-3  CBJ  0.020
 G0E  plan-3  NBI  0.020
 G0E  plan-3  CBG  0.020
 G0E  plan-3  H17  0.020
 G0E  plan-3  H18  0.020
 G0E  plan-3  H19  0.020
 G0E  plan-4  NAU  0.020
 G0E  plan-4  C4   0.020
 G0E  plan-4  N3   0.020
 G0E  plan-4  C5   0.020
 G0E  plan-4  CBB  0.020
 G0E  plan-4  NBC  0.020
 G0E  plan-4  NBD  0.020
 G0E  plan-4  CBK  0.020
 G0E  plan-4  C6   0.020
 G0E  plan-4  N1   0.020
 G0E  plan-4  C2   0.020
 G0E  plan-4  CBE  0.020
 G0E  plan-4  H13  0.020
 G0E  plan-5  CAJ  0.020
 G0E  plan-5  NAH  0.020
 G0E  plan-5  CAG  0.020
 G0E  plan-5  OAI  0.020
 G0E  plan-5  CAA  0.020
 G0E  plan-5  H5   0.020

