# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr 23 23:53:05 2020
#   Inital geometry file: a 159 line input string
#   Ligand name: 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@H](C)Nc1cc(cc(n1)[S](C)(=O)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[C@H]3CCCN3
#
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
 DJS  DJS  2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide  ligand  67  33  .  2021-08-08  2021-08-08  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_DJS
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
 DJS  C6   C  CR6   0   0.023  -3.1771   1.5111   0.0944
 DJS  N1   N  NH1   0  -0.629   1.3360   0.4285  -0.4118
 DJS  C5   C  CR16  0  -0.357  -1.8589   1.8451   0.2794
 DJS  C4   C  CR6   0   0.076  -0.9545   0.7802   0.1916
 DJS  C2   C  C     0   0.519   0.5013   1.0490   0.4301
 DJS  O3   O  O     0  -0.476   0.8508   1.7822   1.3425
 DJS  N7   N  N     0  -0.459  -3.6565   0.3068  -0.1388
 DJS  C8   C  CR6   0   0.538  -2.7986  -0.7128  -0.2132
 DJS  C9   C  CR16  0  -0.418  -1.4085  -0.4966  -0.0449
 DJS  N10  N  NH1   0  -0.656  -3.3252  -1.9234  -0.4681
 DJS  C11  C  CH1   0  -0.098  -2.6162  -3.1890  -0.4388
 DJS  C13  C  CH3   0  -0.649  -2.4265  -3.6957   0.9876
 DJS  C14  C  CH2   0  -0.434  -3.3596  -4.2046  -1.3018
 DJS  C15  C  CH3   0  -0.659  -3.5213  -3.7804  -2.7543
 DJS  S16  S  S     0   1.217  -4.4443   2.7781   0.1868
 DJS  O17  O  OS    0  -0.669  -5.4631   2.3306   1.1322
 DJS  O18  O  OS    0  -0.669  -3.7833   4.0600   0.4232
 DJS  C19  C  CH3   0  -0.796  -5.1403   2.7765  -1.4479
 DJS  C20  C  CH1   0  -0.069   2.7780   0.4588  -0.2795
 DJS  C22  C  CH1   0   0.024   3.3711   1.5409  -1.1979
 DJS  O24  O  OH1   0  -0.663   2.9908   1.3504  -2.5414
 DJS  C25  C  CH1   0  -0.150   4.8794   1.6798  -1.0563
 DJS  C27  C  CH2   0  -0.432   5.4830   2.8442  -1.8571
 DJS  C28  C  CH2   0  -0.475   6.7688   3.1883  -1.0840
 DJS  C29  C  CH2   0  -0.316   6.6499   2.3868   0.2346
 DJS  N30  N  NH1   0  -0.587   5.2749   1.9040   0.3283
 DJS  C31  C  CH2   0  -0.568   3.3515  -0.9405  -0.5369
 DJS  C32  C  CR6   0   0.160   2.6126  -2.0060   0.2237
 DJS  C33  C  CR16  0  -0.328   1.7701  -2.8941  -0.4395
 DJS  C34  C  CR16  0  -0.243   1.0507  -3.8537   0.2613
 DJS  C35  C  CR16  0  -0.263   1.1592  -3.9329   1.6425
 DJS  C36  C  CR16  0  -0.242   2.0005  -3.0546   2.3141
 DJS  C37  C  CR16  0  -0.300   2.7225  -2.1019   1.6090
 DJS  H1   H  HNH1  0   0.406   0.9464  -0.0492  -1.2100
 DJS  H2   H  HCR6  0   0.289  -1.5356   2.8570   0.4698
 DJS  H3   H  HCR6  0   0.289  -0.7124  -1.3246  -0.0704
 DJS  H4   H  HNH1  0   0.388  -4.3340  -1.9620  -0.4597
 DJS  H5   H  HCH1  0   0.232  -1.6340  -3.0335  -0.8967
 DJS  H6   H  HCH3  0   0.229  -1.9074  -4.6550   0.9896
 DJS  H7   H  HCH3  0   0.236  -1.8376  -3.0012   1.5884
 DJS  H8   H  HCH3  0   0.231  -3.3929  -3.8355   1.4751
 DJS  H9   H  HCH2  0   0.239  -2.8043  -5.1441  -1.2549
 DJS  H10  H  HCH2  0   0.227  -4.3388  -4.4095  -0.8559
 DJS  H11  H  HCH3  0   0.224  -4.1537  -2.8981  -2.8531
 DJS  H12  H  HCH3  0   0.220  -2.5555  -3.5485  -3.2073
 DJS  H13  H  HCH3  0   0.233  -3.9771  -4.5785  -3.3405
 DJS  H14  H  HCH3  0   0.297  -5.5483   1.7928  -1.6648
 DJS  H15  H  HCH3  0   0.313  -5.9328   3.5238  -1.4619
 DJS  H16  H  HCH3  0   0.297  -4.3666   3.0369  -2.1665
 DJS  H17  H  HCH1  0   0.264   3.0006   0.7392   0.7508
 DJS  H18  H  HCH1  0   0.238   2.9174   2.4942  -0.8981
 DJS  H19  H  HOH1  0   0.448   3.5320   0.6542  -2.9281
 DJS  H20  H  HCH1  0   0.237   5.3608   0.7483  -1.3876
 DJS  H21  H  HCH2  0   0.236   5.6726   2.5856  -2.8988
 DJS  H22  H  HCH2  0   0.225   4.7904   3.6905  -1.8520
 DJS  H23  H  HCH2  0   0.233   7.6651   2.9031  -1.6358
 DJS  H24  H  HCH2  0   0.233   6.8395   4.2596  -0.8944
 DJS  H25  H  HCH2  0   0.225   7.3238   1.5269   0.2107
 DJS  H26  H  HCH2  0   0.238   6.9057   2.9713   1.1180
 DJS  H27  H  HNH1  0   0.340   4.7013   2.6545   0.7022
 DJS  H29  H  HCH2  0   0.246   3.3168  -1.1782  -1.6041
 DJS  H30  H  HCH2  0   0.275   4.4046  -0.9331  -0.2494
 DJS  H31  H  HCR6  0   0.253   1.6783  -2.8381  -1.5184
 DJS  H32  H  HCR6  0   0.253   0.4110  -4.5424  -0.2763
 DJS  H33  H  HCR6  0   0.253   0.5956  -4.6754   2.1922
 DJS  H34  H  HCR6  0   0.255   2.0977  -3.1143   3.3907
 DJS  H35  H  HCR6  0   0.247   3.3781  -1.4243   2.1444

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
 DJS  C35  C36  aromatic  1.389  0.020  1.389
 DJS  C35  C34  aromatic  1.388  0.020  1.388
 DJS  C36  C37  aromatic  1.388  0.020  1.388
 DJS  C34  C33  aromatic  1.389  0.020  1.389
 DJS  C37  C32  aromatic  1.393  0.020  1.393
 DJS  C33  C32  aromatic  1.392  0.020  1.392
 DJS  C13  C11  single    1.526  0.020  1.526
 DJS  C32  C31  single    1.503  0.020  1.503
 DJS  C11  C14  single    1.526  0.020  1.526
 DJS  C11  N10  single    1.451  0.020  1.451
 DJS  C31  C20  single    1.534  0.020  1.534
 DJS  C14  C15  single    1.522  0.020  1.522
 DJS  N10  C8   single    1.345  0.020  1.345
 DJS  C9   C8   aromatic  1.417  0.020  1.417
 DJS  C9   C4   aromatic  1.376  0.020  1.376
 DJS  C20  N1   single    1.448  0.020  1.448
 DJS  C20  C22  single    1.538  0.020  1.538
 DJS  O3   C2   double    1.222  0.020  1.222
 DJS  C8   N7   aromatic  1.335  0.020  1.335
 DJS  C2   N1   single    1.338  0.020  1.338
 DJS  C2   C4   single    1.500  0.020  1.500
 DJS  C4   C5   aromatic  1.400  0.020  1.400
 DJS  O24  C22  single    1.409  0.020  1.409
 DJS  C22  C25  single    1.521  0.020  1.521
 DJS  N7   C6   aromatic  1.317  0.020  1.317
 DJS  C5   C6   aromatic  1.372  0.020  1.372
 DJS  C6   S16  single    1.794  0.020  1.794
 DJS  C27  C25  single    1.537  0.020  1.537
 DJS  C27  C28  single    1.539  0.020  1.539
 DJS  O18  S16  double    1.461  0.020  1.461
 DJS  C25  N30  single    1.457  0.020  1.457
 DJS  S16  C19  single    1.777  0.020  1.777
 DJS  S16  O17  double    1.460  0.020  1.460
 DJS  C28  C29  single    1.548  0.020  1.548
 DJS  N30  C29  single    1.460  0.020  1.460
 DJS  N1   H1   single    0.860  0.020  1.020
 DJS  C5   H2   single    0.930  0.020  1.080
 DJS  C9   H3   single    0.930  0.020  1.080
 DJS  N10  H4   single    0.860  0.020  1.020
 DJS  C11  H5   single    0.970  0.020  1.090
 DJS  C13  H6   single    0.970  0.020  1.090
 DJS  C13  H7   single    0.970  0.020  1.090
 DJS  C13  H8   single    0.970  0.020  1.090
 DJS  C14  H9   single    0.970  0.020  1.090
 DJS  C14  H10  single    0.970  0.020  1.090
 DJS  C15  H11  single    0.970  0.020  1.090
 DJS  C15  H12  single    0.970  0.020  1.090
 DJS  C15  H13  single    0.970  0.020  1.090
 DJS  C19  H14  single    0.970  0.020  1.090
 DJS  C19  H15  single    0.970  0.020  1.090
 DJS  C19  H16  single    0.970  0.020  1.090
 DJS  C20  H17  single    0.970  0.020  1.090
 DJS  C22  H18  single    0.970  0.020  1.090
 DJS  O24  H19  single    0.850  0.020  0.980
 DJS  C25  H20  single    0.970  0.020  1.090
 DJS  C27  H21  single    0.970  0.020  1.090
 DJS  C27  H22  single    0.970  0.020  1.090
 DJS  C28  H23  single    0.970  0.020  1.090
 DJS  C28  H24  single    0.970  0.020  1.090
 DJS  C29  H25  single    0.970  0.020  1.090
 DJS  C29  H26  single    0.970  0.020  1.090
 DJS  N30  H27  single    0.890  0.020  1.040
 DJS  C31  H29  single    0.970  0.020  1.090
 DJS  C31  H30  single    0.970  0.020  1.090
 DJS  C33  H31  single    0.930  0.020  1.080
 DJS  C34  H32  single    0.930  0.020  1.080
 DJS  C35  H33  single    0.930  0.020  1.080
 DJS  C36  H34  single    0.930  0.020  1.080
 DJS  C37  H35  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
 DJS  S16  C6   N7   113.43  3.000
 DJS  S16  C6   C5   119.97  3.000
 DJS  N7   C6   C5   126.59  3.000
 DJS  H1   N1   C20  117.82  3.000
 DJS  H1   N1   C2   118.47  3.000
 DJS  C20  N1   C2   123.63  3.000
 DJS  H2   C5   C4   122.06  3.000
 DJS  H2   C5   C6   122.67  3.000
 DJS  C4   C5   C6   115.27  3.000
 DJS  C9   C4   C2   120.94  3.000
 DJS  C2   C4   C5   118.74  3.000
 DJS  C9   C4   C5   120.24  3.000
 DJS  O3   C2   C4   120.27  3.000
 DJS  C4   C2   N1   114.99  3.000
 DJS  O3   C2   N1   124.74  3.000
 DJS  C8   N7   C6   118.32  3.000
 DJS  N10  C8   C9   122.96  3.000
 DJS  C9   C8   N7   120.50  3.000
 DJS  N10  C8   N7   116.53  3.000
 DJS  H3   C9   C8   120.78  3.000
 DJS  H3   C9   C4   120.13  3.000
 DJS  C8   C9   C4   119.07  3.000
 DJS  H4   N10  C11  117.05  3.000
 DJS  H4   N10  C8   115.09  3.000
 DJS  C11  N10  C8   126.17  3.000
 DJS  H5   C11  C14  107.16  3.000
 DJS  H5   C11  C13  109.07  3.000
 DJS  C14  C11  C13  111.61  3.000
 DJS  H5   C11  N10  107.82  3.000
 DJS  C14  C11  N10  109.33  3.000
 DJS  C13  C11  N10  111.68  3.000
 DJS  H8   C13  H7   108.27  3.000
 DJS  H8   C13  H6   107.94  3.000
 DJS  H7   C13  H6   107.58  3.000
 DJS  H8   C13  C11  110.49  3.000
 DJS  H7   C13  C11  111.75  3.000
 DJS  H6   C13  C11  110.67  3.000
 DJS  H10  C14  H9   106.03  3.000
 DJS  H10  C14  C15  110.23  3.000
 DJS  H9   C14  C15  109.56  3.000
 DJS  H10  C14  C11  109.25  3.000
 DJS  H9   C14  C11  107.48  3.000
 DJS  C15  C14  C11  113.96  3.000
 DJS  H13  C15  H12  107.60  3.000
 DJS  H13  C15  H11  107.54  3.000
 DJS  H12  C15  H11  107.68  3.000
 DJS  H13  C15  C14  110.71  3.000
 DJS  H12  C15  C14  111.17  3.000
 DJS  H11  C15  C14  111.95  3.000
 DJS  C19  S16  O18  109.07  3.000
 DJS  C19  S16  O17  108.79  3.000
 DJS  O18  S16  O17  118.67  3.000
 DJS  O17  S16  C6   108.04  3.000
 DJS  C19  S16  C6   103.22  3.000
 DJS  O18  S16  C6   107.95  3.000
 DJS  H16  C19  H15  110.17  3.000
 DJS  H16  C19  H14  110.60  3.000
 DJS  H15  C19  H14  110.19  3.000
 DJS  H16  C19  S16  109.21  3.000
 DJS  H15  C19  S16  107.23  3.000
 DJS  H14  C19  S16  109.36  3.000
 DJS  H17  C20  C31  108.47  3.000
 DJS  H17  C20  C22  107.72  3.000
 DJS  C31  C20  C22  113.41  3.000
 DJS  H17  C20  N1   107.15  3.000
 DJS  C22  C20  N1   110.12  3.000
 DJS  C31  C20  N1   109.75  3.000
 DJS  H18  C22  C25  107.77  3.000
 DJS  H18  C22  O24  105.44  3.000
 DJS  C25  C22  O24  111.63  3.000
 DJS  H18  C22  C20  106.77  3.000
 DJS  C25  C22  C20  113.01  3.000
 DJS  O24  C22  C20  111.72  3.000
 DJS  H19  O24  C22  109.20  3.000
 DJS  H20  C25  N30  107.32  3.000
 DJS  H20  C25  C27  108.23  3.000
 DJS  N30  C25  C27  105.78  3.000
 DJS  H20  C25  C22  109.19  3.000
 DJS  N30  C25  C22  111.81  3.000
 DJS  C27  C25  C22  114.21  3.000
 DJS  H22  C27  H21  107.35  3.000
 DJS  H22  C27  C28  110.71  3.000
 DJS  H21  C27  C28  112.81  3.000
 DJS  H22  C27  C25  109.58  3.000
 DJS  H21  C27  C25  112.74  3.000
 DJS  C28  C27  C25  103.64  3.000
 DJS  H24  C28  H23  106.96  3.000
 DJS  H24  C28  C29  111.45  3.000
 DJS  H23  C28  C29  111.03  3.000
 DJS  H24  C28  C27  111.17  3.000
 DJS  H23  C28  C27  111.95  3.000
 DJS  C29  C28  C27  104.36  3.000
 DJS  H26  C29  H25  107.16  3.000
 DJS  H26  C29  N30  110.26  3.000
 DJS  H25  C29  N30  108.78  3.000
 DJS  H26  C29  C28  113.26  3.000
 DJS  H25  C29  C28  109.97  3.000
 DJS  N30  C29  C28  107.35  3.000
 DJS  H27  N30  C29  108.12  3.000
 DJS  H27  N30  C25  108.06  3.000
 DJS  C29  N30  C25  104.21  3.000
 DJS  H30  C31  H29  106.80  3.000
 DJS  H30  C31  C32  110.23  3.000
 DJS  H29  C31  C32  108.91  3.000
 DJS  H30  C31  C20  108.07  3.000
 DJS  H29  C31  C20  110.49  3.000
 DJS  C32  C31  C20  112.20  3.000
 DJS  C37  C32  C33  118.53  3.000
 DJS  C33  C32  C31  120.57  3.000
 DJS  C37  C32  C31  120.88  3.000
 DJS  H31  C33  C34  119.60  3.000
 DJS  H31  C33  C32  119.49  3.000
 DJS  C34  C33  C32  120.91  3.000
 DJS  H32  C34  C35  120.27  3.000
 DJS  H32  C34  C33  119.66  3.000
 DJS  C35  C34  C33  120.07  3.000
 DJS  H33  C35  C36  120.24  3.000
 DJS  H33  C35  C34  120.26  3.000
 DJS  C36  C35  C34  119.50  3.000
 DJS  H34  C36  C37  119.76  3.000
 DJS  H34  C36  C35  120.02  3.000
 DJS  C37  C36  C35  120.22  3.000
 DJS  H35  C37  C36  119.52  3.000
 DJS  H35  C37  C32  119.72  3.000
 DJS  C36  C37  C32  120.76  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
 DJS  CONST_01  C9   C8   N7   C6     0.00   0.0  0
 DJS  CONST_02  C9   C4   C5   C6     0.00   0.0  0
 DJS  CONST_03  C8   C9   C4   C5     0.00   0.0  0
 DJS  CONST_04  C8   N7   C6   C5     0.00   0.0  0
 DJS  CONST_05  N7   C8   C9   C4     0.00   0.0  0
 DJS  CONST_06  N7   C6   C5   C4     0.00   0.0  0
 DJS  CONST_07  C35  C36  C37  C32    0.00   0.0  0
 DJS  CONST_08  C35  C34  C33  C32    0.00   0.0  0
 DJS  CONST_09  C36  C35  C34  C33    0.00   0.0  0
 DJS  CONST_10  C36  C37  C32  C33    0.00   0.0  0
 DJS  CONST_11  C37  C36  C35  C34    0.00   0.0  0
 DJS  CONST_12  C37  C32  C33  C34    0.00   0.0  0
 DJS  CONST_13  N10  C8   N7   C6   180.00   0.0  0
 DJS  CONST_14  C2   C4   C5   C6   180.00   0.0  0
 DJS  CONST_15  N10  C8   C9   C4   180.00   0.0  0
 DJS  CONST_16  S16  C6   C5   C4   180.00   0.0  0
 DJS  CONST_17  C8   C9   C4   C2   180.00   0.0  0
 DJS  CONST_18  S16  C6   N7   C8   180.00   0.0  0
 DJS  CONST_19  C36  C37  C32  C31  180.00   0.0  0
 DJS  CONST_20  C34  C33  C32  C31  180.00   0.0  0
 DJS  CONST_21  H3   C9   C4   C5   180.00   0.0  0
 DJS  CONST_22  H2   C5   C6   N7   180.00   0.0  0
 DJS  CONST_23  H34  C36  C37  C32  180.00   0.0  0
 DJS  CONST_24  H32  C34  C33  C32  180.00   0.0  0
 DJS  CONST_25  H33  C35  C34  C33  180.00   0.0  0
 DJS  CONST_26  H35  C37  C32  C33  180.00   0.0  0
 DJS  CONST_27  H31  C33  C34  C35  180.00   0.0  0
 DJS  CONST_28  C11  N10  C8   N7   180.00   0.0  0
 DJS  CONST_29  C11  N10  C8   C9     0.00   0.0  0
 DJS  CONST_30  H4   N10  C8   N7     0.00   0.0  0
 DJS  CONST_31  C20  N1   C2   C4   180.00   0.0  0
 DJS  CONST_32  H1   N1   C2   C4     0.00   0.0  0
 DJS  CONST_33  C20  N1   C2   O3     0.00   0.0  0
 DJS  Var_01    C29  C28  C27  C25  -10.71  30.0  1
 DJS  Var_02    C28  C29  N30  C25   32.30  30.0  1
 DJS  Var_03    N30  C29  C28  C27  -12.67  30.0  1
 DJS  Var_04    C9   C4   C2   N1    44.98  30.0  2
 DJS  Var_05    O18  S16  C6   C5     1.87  30.0  2
 DJS  Var_06    C37  C32  C31  C20  -70.25  30.0  3
 DJS  Var_07    H14  C19  S16  C6    59.95  30.0  3
 DJS  Var_08    H11  C15  C14  C11  -65.12  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
 DJS  chir_01  C11  C13  C14  N10  negativ
 DJS  chir_02  C20  C31  N1   C22  positiv
 DJS  chir_03  C22  O24  C20  C25  negativ
 DJS  chir_04  C25  N30  C27  C22  positiv

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
 DJS  plan-1  C6   0.020
 DJS  plan-1  C5   0.020
 DJS  plan-1  C4   0.020
 DJS  plan-1  C2   0.020
 DJS  plan-1  N7   0.020
 DJS  plan-1  C8   0.020
 DJS  plan-1  C9   0.020
 DJS  plan-1  N10  0.020
 DJS  plan-1  S16  0.020
 DJS  plan-1  H2   0.020
 DJS  plan-1  H3   0.020
 DJS  plan-2  C31  0.020
 DJS  plan-2  C32  0.020
 DJS  plan-2  C33  0.020
 DJS  plan-2  C34  0.020
 DJS  plan-2  C35  0.020
 DJS  plan-2  C36  0.020
 DJS  plan-2  C37  0.020
 DJS  plan-2  H31  0.020
 DJS  plan-2  H32  0.020
 DJS  plan-2  H33  0.020
 DJS  plan-2  H34  0.020
 DJS  plan-2  H35  0.020
 DJS  plan-3  C8   0.020
 DJS  plan-3  N10  0.020
 DJS  plan-3  C11  0.020
 DJS  plan-3  H4   0.020
 DJS  plan-4  N1   0.020
 DJS  plan-4  C4   0.020
 DJS  plan-4  C2   0.020
 DJS  plan-4  O3   0.020
 DJS  plan-4  C20  0.020
 DJS  plan-4  H1   0.020

