# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon May 11 18:29:14 2020
#   Inital geometry file: a 154 line input string
#   Ligand name: (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CNC(=O)c1c(oc2cc(N(c3ccc(cc3)B(O)O)[S](C)(=O)=O)c(cc12)C4CC4)c5ccc(F)cc5
#
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
 K4S  K4S  '(4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid'  ligand  61  37  .  2022-09-22  2023-02-15
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_K4S
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
 K4S  C01  C  CH3   0  -0.519   5.7530  -2.8019  -2.0127
 K4S  N02  N  NH1   0  -0.623   4.8724  -2.0192  -1.1781
 K4S  C03  C  C     0   0.426   3.6469  -1.6562  -1.5743
 K4S  O04  O  O     0  -0.485   3.1645  -1.9980  -2.6469
 K4S  C05  C  CR5   0  -0.174   2.8627  -0.8345  -0.6242
 K4S  C06  C  CR5   0   0.433   3.2602   0.1673   0.2108
 K4S  O07  O  O     0  -0.459   2.2195   0.6240   0.9504
 K4S  C08  C  CR56  0   0.344   1.1252  -0.0813   0.5885
 K4S  C09  C  CR16  0  -0.378  -0.1455   0.0553   1.1077
 K4S  C10  C  CR6   0   0.263  -1.1217  -0.7815   0.5894
 K4S  N11  N  N     0  -0.808  -2.4635  -0.6870   1.0590
 K4S  C12  C  CR6   0   0.275  -3.3973   0.1350   0.3625
 K4S  C13  C  CR16  0  -0.239  -3.1040   1.4747   0.1321
 K4S  C14  C  CR16  0  -0.322  -3.9975   2.2681  -0.5701
 K4S  C15  C  CR6   0  -0.077  -5.2040   1.7561  -1.0528
 K4S  C16  C  CR16  0  -0.329  -5.4768   0.4085  -0.8050
 K4S  C17  C  CR16  0  -0.216  -4.5895  -0.3995  -0.1127
 K4S  B18  B  B     0   0.510  -6.2097   2.6587  -1.8536
 K4S  O19  O  OH1   0  -0.634  -5.8995   3.9759  -1.9919
 K4S  O20  O  OH1   0  -0.634  -7.3218   2.0634  -2.3626
 K4S  S21  S  S     0   1.322  -2.8315  -1.2434   2.5849
 K4S  C22  C  CH3   0  -0.793  -2.7337   0.1722   3.6542
 K4S  O23  O  OS    0  -0.647  -4.2153  -1.6857   2.5813
 K4S  O24  O  OS    0  -0.651  -1.7816  -2.1833   2.9365
 K4S  C25  C  CR6   0   0.159  -0.8374  -1.7311  -0.4185
 K4S  C26  C  CR16  0  -0.479   0.4547  -1.8307  -0.9109
 K4S  C27  C  CR56  0   0.160   1.4499  -0.9951  -0.4067
 K4S  C28  C  CH1   0  -0.313  -1.9316  -2.6069  -0.9137
 K4S  C29  C  CH2   0  -0.452  -2.6963  -2.2433  -2.1584
 K4S  C30  C  CH2   0  -0.496  -1.7939  -3.4340  -2.1543
 K4S  C31  C  CR6   0  -0.053   4.5355   0.8373   0.4350
 K4S  C32  C  CR16  0  -0.274   5.3956   1.1034  -0.6315
 K4S  C33  C  CR16  0  -0.394   6.6072   1.7392  -0.4224
 K4S  C34  C  CR6   0   0.534   6.9451   2.1120   0.8650
 K4S  F35  F  F     0  -0.307   8.1137   2.7305   1.0737
 K4S  C36  C  CR16  0  -0.400   6.1127   1.8761   1.9428
 K4S  C37  C  CR16  0  -0.264   4.9038   1.2387   1.7211
 K4S  H1   H  HCH3  0   0.242   5.9678  -2.2947  -2.9533
 K4S  H2   H  HCH3  0   0.254   6.6883  -2.9448  -1.4801
 K4S  H3   H  HCH3  0   0.242   5.3309  -3.7814  -2.2395
 K4S  H4   H  HNH1  0   0.410   5.1816  -1.7849  -0.2497
 K4S  H5   H  HCR6  0   0.285  -0.3610   0.7854   1.8766
 K4S  H6   H  HCR6  0   0.263  -2.1781   1.9021   0.4955
 K4S  H7   H  HCR6  0   0.257  -3.7416   3.3068  -0.7365
 K4S  H8   H  HCR6  0   0.256  -6.3950  -0.0342  -1.1698
 K4S  H9   H  HCR6  0   0.262  -4.8132  -1.4450   0.0424
 K4S  H10  H  HOH1  0   0.484  -6.5308   4.5076  -2.4865
 K4S  H11  H  HOH1  0   0.485  -7.9195   2.6345  -2.8552
 K4S  H12  H  HCH3  0   0.294  -3.4055   0.9460   3.2886
 K4S  H13  H  HCH3  0   0.314  -3.0439  -0.1432   4.6492
 K4S  H14  H  HCH3  0   0.292  -1.7123   0.5424   3.6893
 K4S  H15  H  HCR6  0   0.246   0.6912  -2.5621  -1.6703
 K4S  H16  H  HCH1  0   0.265  -2.5290  -3.0498  -0.1243
 K4S  H17  H  HCH2  0   0.251  -3.7664  -2.4012  -2.1614
 K4S  H18  H  HCH2  0   0.250  -2.3720  -1.3626  -2.6983
 K4S  H19  H  HCH2  0   0.252  -0.8816  -3.3839  -2.7349
 K4S  H20  H  HCH2  0   0.258  -2.2453  -4.4175  -2.1411
 K4S  H21  H  HCR6  0   0.278   5.1127   0.8382  -1.6409
 K4S  H22  H  HCR6  0   0.290   7.2706   1.9525  -1.2498
 K4S  H23  H  HCR6  0   0.290   6.4036   2.1800   2.9393
 K4S  H24  H  HCR6  0   0.276   4.2543   1.0441   2.5639

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
 K4S  C01  N02  single    1.444  0.020  1.444
 K4S  N02  C03  single    1.338  0.020  1.338
 K4S  O04  C03  double    1.225  0.020  1.225
 K4S  C03  C05  single    1.481  0.020  1.481
 K4S  C29  C30  single    1.494  0.020  1.494
 K4S  C29  C28  single    1.505  0.020  1.505
 K4S  C30  C28  single    1.497  0.020  1.497
 K4S  C05  C27  aromatic  1.438  0.020  1.438
 K4S  C05  C06  aromatic  1.363  0.020  1.363
 K4S  C26  C27  aromatic  1.394  0.020  1.394
 K4S  C26  C25  aromatic  1.386  0.020  1.386
 K4S  C32  C33  aromatic  1.384  0.020  1.384
 K4S  C32  C31  aromatic  1.396  0.020  1.396
 K4S  O20  B18  single    1.360  0.020  1.360
 K4S  C33  C34  aromatic  1.382  0.020  1.382
 K4S  C28  C25  single    1.486  0.020  1.486
 K4S  C27  C08  aromatic  1.390  0.020  1.390
 K4S  C06  C31  single    1.458  0.020  1.458
 K4S  C06  O07  aromatic  1.356  0.020  1.356
 K4S  C31  C37  aromatic  1.397  0.020  1.397
 K4S  C25  C10  aromatic  1.414  0.020  1.414
 K4S  C34  F35  single    1.339  0.020  1.339
 K4S  C34  C36  aromatic  1.382  0.020  1.382
 K4S  O19  B18  single    1.360  0.020  1.360
 K4S  B18  C15  single    1.571  0.020  1.571
 K4S  C16  C15  aromatic  1.397  0.020  1.397
 K4S  C16  C17  aromatic  1.386  0.020  1.386
 K4S  C37  C36  aromatic  1.385  0.020  1.385
 K4S  C15  C14  aromatic  1.397  0.020  1.397
 K4S  C08  O07  aromatic  1.351  0.020  1.351
 K4S  C08  C09  aromatic  1.379  0.020  1.379
 K4S  C17  C12  aromatic  1.390  0.020  1.390
 K4S  C10  C09  aromatic  1.386  0.020  1.386
 K4S  C10  N11  single    1.425  0.020  1.425
 K4S  C14  C13  aromatic  1.386  0.020  1.386
 K4S  C12  C13  aromatic  1.391  0.020  1.391
 K4S  C12  N11  single    1.426  0.020  1.426
 K4S  N11  S21  single    1.665  0.020  1.665
 K4S  S21  O23  double    1.453  0.020  1.453
 K4S  S21  C22  single    1.777  0.020  1.777
 K4S  S21  O24  double    1.452  0.020  1.452
 K4S  C01  H1   single    0.970  0.020  1.090
 K4S  C01  H2   single    0.970  0.020  1.090
 K4S  C01  H3   single    0.970  0.020  1.090
 K4S  N02  H4   single    0.860  0.020  1.020
 K4S  C09  H5   single    0.930  0.020  1.080
 K4S  C13  H6   single    0.930  0.020  1.080
 K4S  C14  H7   single    0.930  0.020  1.080
 K4S  C16  H8   single    0.930  0.020  1.080
 K4S  C17  H9   single    0.930  0.020  1.080
 K4S  O19  H10  single    0.850  0.020  0.980
 K4S  O20  H11  single    0.850  0.020  0.980
 K4S  C22  H12  single    0.970  0.020  1.090
 K4S  C22  H13  single    0.970  0.020  1.090
 K4S  C22  H14  single    0.970  0.020  1.090
 K4S  C26  H15  single    0.930  0.020  1.080
 K4S  C28  H16  single    0.970  0.020  1.090
 K4S  C29  H17  single    0.970  0.020  1.090
 K4S  C29  H18  single    0.970  0.020  1.090
 K4S  C30  H19  single    0.970  0.020  1.090
 K4S  C30  H20  single    0.970  0.020  1.090
 K4S  C32  H21  single    0.930  0.020  1.080
 K4S  C33  H22  single    0.930  0.020  1.080
 K4S  C36  H23  single    0.930  0.020  1.080
 K4S  C37  H24  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
 K4S  H3   C01  H2   108.49  3.000
 K4S  H3   C01  H1   108.35  3.000
 K4S  H2   C01  H1   108.34  3.000
 K4S  H3   C01  N02  111.79  3.000
 K4S  H2   C01  N02  108.25  3.000
 K4S  H1   C01  N02  111.52  3.000
 K4S  H4   N02  C03  119.44  3.000
 K4S  H4   N02  C01  118.18  3.000
 K4S  C03  N02  C01  122.31  3.000
 K4S  C05  C03  O04  120.54  3.000
 K4S  C05  C03  N02  116.46  3.000
 K4S  O04  C03  N02  122.98  3.000
 K4S  C27  C05  C06  106.01  3.000
 K4S  C06  C05  C03  130.27  3.000
 K4S  C27  C05  C03  123.72  3.000
 K4S  C31  C06  O07  115.64  3.000
 K4S  O07  C06  C05  110.97  3.000
 K4S  C31  C06  C05  133.38  3.000
 K4S  C08  O07  C06  107.44  3.000
 K4S  C27  C08  C09  123.37  3.000
 K4S  C09  C08  O07  126.40  3.000
 K4S  C27  C08  O07  110.23  3.000
 K4S  H5   C09  C10  122.19  3.000
 K4S  H5   C09  C08  121.19  3.000
 K4S  C10  C09  C08  116.62  3.000
 K4S  C25  C10  N11  117.97  3.000
 K4S  N11  C10  C09  119.99  3.000
 K4S  C25  C10  C09  122.03  3.000
 K4S  S21  N11  C12  119.71  3.000
 K4S  S21  N11  C10  119.21  3.000
 K4S  C12  N11  C10  119.60  3.000
 K4S  C17  C12  C13  119.64  3.000
 K4S  C13  C12  N11  119.89  3.000
 K4S  C17  C12  N11  120.46  3.000
 K4S  H6   C13  C14  119.70  3.000
 K4S  H6   C13  C12  120.33  3.000
 K4S  C14  C13  C12  119.97  3.000
 K4S  H7   C14  C15  120.18  3.000
 K4S  H7   C14  C13  118.34  3.000
 K4S  C15  C14  C13  121.48  3.000
 K4S  B18  C15  C16  121.31  3.000
 K4S  C16  C15  C14  117.45  3.000
 K4S  B18  C15  C14  121.24  3.000
 K4S  H8   C16  C17  118.23  3.000
 K4S  H8   C16  C15  120.02  3.000
 K4S  C17  C16  C15  121.74  3.000
 K4S  H9   C17  C16  120.23  3.000
 K4S  H9   C17  C12  120.04  3.000
 K4S  C16  C17  C12  119.72  3.000
 K4S  O20  B18  O19  124.90  3.000
 K4S  O19  B18  C15  117.53  3.000
 K4S  O20  B18  C15  117.57  3.000
 K4S  H10  O19  B18  115.96  3.000
 K4S  H11  O20  B18  116.08  3.000
 K4S  O24  S21  O23  119.49  3.000
 K4S  O24  S21  C22  109.28  3.000
 K4S  O23  S21  C22  107.24  3.000
 K4S  O24  S21  N11  106.16  3.000
 K4S  C22  S21  N11  105.85  3.000
 K4S  O23  S21  N11  108.05  3.000
 K4S  H14  C22  H13  109.69  3.000
 K4S  H14  C22  H12  110.42  3.000
 K4S  H13  C22  H12  109.70  3.000
 K4S  H14  C22  S21  110.03  3.000
 K4S  H13  C22  S21  107.66  3.000
 K4S  H12  C22  S21  109.29  3.000
 K4S  C28  C25  C26  121.70  3.000
 K4S  C28  C25  C10  119.03  3.000
 K4S  C26  C25  C10  119.27  3.000
 K4S  H15  C26  C27  120.25  3.000
 K4S  H15  C26  C25  120.15  3.000
 K4S  C27  C26  C25  119.60  3.000
 K4S  C26  C27  C08  119.11  3.000
 K4S  C08  C27  C05  105.33  3.000
 K4S  C26  C27  C05  135.52  3.000
 K4S  H16  C28  C30  115.35  3.000
 K4S  H16  C28  C29  114.88  3.000
 K4S  C30  C28  C29   59.68  3.000
 K4S  H16  C28  C25  113.80  3.000
 K4S  C30  C28  C25  122.26  3.000
 K4S  C29  C28  C25  120.46  3.000
 K4S  H18  C29  H17  114.44  3.000
 K4S  H18  C29  C30  117.95  3.000
 K4S  H17  C29  C30  118.76  3.000
 K4S  H18  C29  C28  117.17  3.000
 K4S  H17  C29  C28  118.00  3.000
 K4S  C30  C29  C28   59.89  3.000
 K4S  H20  C30  H19  113.59  3.000
 K4S  H20  C30  C29  118.19  3.000
 K4S  H19  C30  C29  118.07  3.000
 K4S  H20  C30  C28  116.97  3.000
 K4S  H19  C30  C28  119.76  3.000
 K4S  C29  C30  C28   60.43  3.000
 K4S  C37  C31  C32  119.10  3.000
 K4S  C37  C31  C06  120.28  3.000
 K4S  C32  C31  C06  120.61  3.000
 K4S  H21  C32  C33  118.86  3.000
 K4S  H21  C32  C31  120.35  3.000
 K4S  C33  C32  C31  120.77  3.000
 K4S  H22  C33  C34  120.62  3.000
 K4S  H22  C33  C32  120.79  3.000
 K4S  C34  C33  C32  118.59  3.000
 K4S  C36  C34  F35  118.89  3.000
 K4S  C36  C34  C33  122.22  3.000
 K4S  F35  C34  C33  118.90  3.000
 K4S  H23  C36  C37  120.78  3.000
 K4S  H23  C36  C34  120.57  3.000
 K4S  C37  C36  C34  118.66  3.000
 K4S  H24  C37  C36  118.84  3.000
 K4S  H24  C37  C31  120.49  3.000
 K4S  C36  C37  C31  120.66  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
 K4S  CONST_01  C25  C26  C27  C05   180.00   0.0  0
 K4S  CONST_02  O07  C08  C27  C05     0.00   0.0  0
 K4S  CONST_03  C09  C08  C27  C05   180.00   0.0  0
 K4S  CONST_06  C08  O07  C06  C05     0.00   0.0  0
 K4S  CONST_07  C26  C27  C05  C06   180.00   0.0  0
 K4S  CONST_08  C08  C27  C05  C06     0.00   0.0  0
 K4S  CONST_09  C33  C32  C31  C06   180.00   0.0  0
 K4S  CONST_10  C36  C37  C31  C06   180.00   0.0  0
 K4S  CONST_11  C27  C08  O07  C06     0.00   0.0  0
 K4S  CONST_12  C09  C08  O07  C06   180.00   0.0  0
 K4S  CONST_13  C27  C05  C06  O07     0.00   0.0  0
 K4S  CONST_16  C26  C27  C08  O07   180.00   0.0  0
 K4S  CONST_17  C10  C09  C08  O07   180.00   0.0  0
 K4S  CONST_18  C25  C26  C27  C08     0.00   0.0  0
 K4S  CONST_19  C31  C06  O07  C08   180.00   0.0  0
 K4S  CONST_20  C25  C10  C09  C08     0.00   0.0  0
 K4S  CONST_21  C26  C27  C08  C09     0.00   0.0  0
 K4S  CONST_22  C26  C25  C10  C09     0.00   0.0  0
 K4S  CONST_23  C27  C26  C25  C10     0.00   0.0  0
 K4S  CONST_24  C27  C08  C09  C10     0.00   0.0  0
 K4S  CONST_25  C15  C16  C17  C12     0.00   0.0  0
 K4S  CONST_26  C15  C14  C13  C12     0.00   0.0  0
 K4S  CONST_27  C16  C15  C14  C13     0.00   0.0  0
 K4S  CONST_28  C16  C17  C12  C13     0.00   0.0  0
 K4S  CONST_29  C17  C16  C15  C14     0.00   0.0  0
 K4S  CONST_30  C17  C12  C13  C14     0.00   0.0  0
 K4S  CONST_31  C31  C06  C05  C27   180.00   0.0  0
 K4S  CONST_32  C34  C33  C32  C31     0.00   0.0  0
 K4S  CONST_33  C34  C36  C37  C31     0.00   0.0  0
 K4S  CONST_34  C36  C34  C33  C32     0.00   0.0  0
 K4S  CONST_35  C36  C37  C31  C32     0.00   0.0  0
 K4S  CONST_36  C37  C31  C32  C33     0.00   0.0  0
 K4S  CONST_37  C37  C36  C34  C33     0.00   0.0  0
 K4S  CONST_38  C28  C25  C10  C09   180.00   0.0  0
 K4S  CONST_39  C28  C25  C26  C27   180.00   0.0  0
 K4S  CONST_40  C26  C27  C05  C03     0.00   0.0  0
 K4S  CONST_41  C08  C27  C05  C03   180.00   0.0  0
 K4S  CONST_42  C31  C06  C05  C03     0.00   0.0  0
 K4S  CONST_43  O07  C06  C05  C03   180.00   0.0  0
 K4S  CONST_44  N11  C10  C09  C08   180.00   0.0  0
 K4S  CONST_45  C26  C25  C10  N11   180.00   0.0  0
 K4S  CONST_46  C28  C25  C10  N11     0.00   0.0  0
 K4S  CONST_47  C16  C17  C12  N11   180.00   0.0  0
 K4S  CONST_48  C14  C13  C12  N11   180.00   0.0  0
 K4S  CONST_49  B18  C15  C14  C13   180.00   0.0  0
 K4S  CONST_50  B18  C15  C16  C17   180.00   0.0  0
 K4S  CONST_51  F35  C34  C33  C32   180.00   0.0  0
 K4S  CONST_52  C37  C36  C34  F35   180.00   0.0  0
 K4S  CONST_53  H15  C26  C27  C05     0.00   0.0  0
 K4S  CONST_54  H21  C32  C31  C06     0.00   0.0  0
 K4S  CONST_55  H24  C37  C31  C06     0.00   0.0  0
 K4S  CONST_56  H5   C09  C08  O07     0.00   0.0  0
 K4S  CONST_57  H8   C16  C17  C12   180.00   0.0  0
 K4S  CONST_58  H7   C14  C13  C12   180.00   0.0  0
 K4S  CONST_59  H9   C17  C12  C13   180.00   0.0  0
 K4S  CONST_60  H6   C13  C14  C15   180.00   0.0  0
 K4S  CONST_61  H22  C33  C32  C31   180.00   0.0  0
 K4S  CONST_62  H23  C36  C37  C31   180.00   0.0  0
 K4S  CONST_63  C05  C03  N02  C01   180.00   0.0  0
 K4S  CONST_64  H4   N02  C03  C05     0.00   0.0  0
 K4S  CONST_65  O04  C03  N02  C01     0.00   0.0  0
 K4S  Var_01    C29  C28  C25  C10    96.02  30.0  1
 K4S  Var_02    C30  C29  C28  C25   111.92  30.0  1
 K4S  Var_03    C12  N11  C10  C09    93.72  30.0  2
 K4S  Var_04    C17  C12  N11  C10   123.99  30.0  2
 K4S  Var_05    C27  C05  C03  N02  -140.81  30.0  2
 K4S  Var_06    O20  B18  C15  C14   175.89  30.0  2
 K4S  Var_07    O23  S21  N11  C10  -150.86  30.0  3
 K4S  Var_08    H1   C01  N02  C03    59.66  30.0  3
 K4S  Var_09    H12  C22  S21  N11    56.64  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
 K4S  chir_01  C28  C29  C30  C25  both

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
 K4S  plan-1  N11  0.020
 K4S  plan-1  C12  0.020
 K4S  plan-1  C13  0.020
 K4S  plan-1  C14  0.020
 K4S  plan-1  C15  0.020
 K4S  plan-1  C16  0.020
 K4S  plan-1  C17  0.020
 K4S  plan-1  B18  0.020
 K4S  plan-1  H6   0.020
 K4S  plan-1  H7   0.020
 K4S  plan-1  H8   0.020
 K4S  plan-1  H9   0.020
 K4S  plan-2  C06  0.020
 K4S  plan-2  C31  0.020
 K4S  plan-2  C32  0.020
 K4S  plan-2  C33  0.020
 K4S  plan-2  C34  0.020
 K4S  plan-2  F35  0.020
 K4S  plan-2  C36  0.020
 K4S  plan-2  C37  0.020
 K4S  plan-2  H21  0.020
 K4S  plan-2  H22  0.020
 K4S  plan-2  H23  0.020
 K4S  plan-2  H24  0.020
 K4S  plan-3  C03  0.020
 K4S  plan-3  C05  0.020
 K4S  plan-3  C06  0.020
 K4S  plan-3  O07  0.020
 K4S  plan-3  C08  0.020
 K4S  plan-3  C09  0.020
 K4S  plan-3  C10  0.020
 K4S  plan-3  N11  0.020
 K4S  plan-3  C25  0.020
 K4S  plan-3  C26  0.020
 K4S  plan-3  C27  0.020
 K4S  plan-3  C28  0.020
 K4S  plan-3  C31  0.020
 K4S  plan-3  H5   0.020
 K4S  plan-3  H15  0.020
 K4S  plan-4  C01  0.020
 K4S  plan-4  N02  0.020
 K4S  plan-4  C03  0.020
 K4S  plan-4  O04  0.020
 K4S  plan-4  C05  0.020
 K4S  plan-4  H4   0.020

