# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  9 23:16:14 2020
#   Inital geometry file: a 165 line input string
#   Ligand name: (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[S](=O)(=O)c1ccc(cc1)[C@@H](NC(=O)Cc2ccccc2)C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F
#
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
 JUH  JUH  (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide  ligand  65  41  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_JUH
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
 JUH  C1   C  CH3   0  -0.673  -2.6381   6.7370   0.0796
 JUH  C2   C  CH2   0  -0.589  -2.3412   5.2476   0.0491
 JUH  O4   O  OS    0  -0.670  -4.1974   4.6079   1.8223
 JUH  O5   O  OS    0  -0.671  -4.7954   4.5122  -0.6167
 JUH  C7   C  CR16  0  -0.216  -2.7795   2.0069   1.5197
 JUH  C8   C  CR16  0  -0.303  -2.3392   0.6947   1.4455
 JUH  C9   C  CR6   0   0.168  -2.3800   0.0029   0.2418
 JUH  C10  C  CR16  0  -0.273  -2.8707   0.6321  -0.8980
 JUH  C11  C  CR16  0  -0.215  -3.3171   1.9407  -0.8386
 JUH  C12  C  CH1   0  -0.278  -1.8526  -1.4176   0.1551
 JUH  C16  C  CH2   0  -0.698  -4.6822  -3.5177  -1.1751
 JUH  C19  C  CR16  0  -0.243  -7.3294  -5.4938   0.6827
 JUH  C20  C  CR16  0  -0.269  -8.4681  -4.7340   0.4465
 JUH  C21  C  CR16  0  -0.242  -8.3769  -3.5843  -0.3267
 JUH  C22  C  CR16  0  -0.305  -7.1532  -3.1968  -0.8569
 JUH  C27  C  CR16  0  -0.334   2.6032  -0.2870   1.2330
 JUH  C30  C  CR16  0  -0.274   3.7899  -0.3812  -1.2431
 JUH  C31  C  CR16  0  -0.297   2.4541  -0.7319  -1.1181
 JUH  C32  C  CT    0  -0.199   6.0097   0.4041  -0.3797
 JUH  C34  C  CT    0   1.032   6.0758   1.9390  -0.5483
 JUH  S3   S  S     0   1.209  -3.8110   4.3033   0.4450
 JUH  C6   C  CR6   0  -0.189  -3.2623   2.6185   0.3722
 JUH  N13  N  NH1   0  -0.653  -2.6868  -2.2771  -0.6323
 JUH  O15  O  O     0  -0.468  -4.3323  -2.3265   0.8960
 JUH  C17  C  CR6   0   0.158  -6.0070  -3.9505  -0.6245
 JUH  C18  C  CR16  0  -0.299  -6.1087  -5.1023   0.1501
 JUH  C23  C  C     0   0.547  -0.4659  -1.3501  -0.4921
 JUH  O24  O  O     0  -0.439  -0.3095  -1.5484  -1.6794
 JUH  C26  C  CR6   0   0.391   1.8438  -0.6858   0.1324
 JUH  C28  C  CR16  0  -0.270   3.9323   0.0580   1.0962
 JUH  C29  C  CR6   0   0.014   4.5564   0.0063  -0.1497
 JUH  O33  O  OH1   0  -0.647   6.5279  -0.0916  -1.5699
 JUH  F35  F  F     0  -0.295   7.3213   2.3783  -0.7299
 JUH  F36  F  F     0  -0.290   5.3652   2.3046  -1.6124
 JUH  F37  F  F     0  -0.291   5.5738   2.5740   0.5098
 JUH  C38  C  CT    0   1.030   6.9414  -0.0849   0.7633
 JUH  F39  F  F     0  -0.290   8.2235   0.0549   0.4388
 JUH  F40  F  F     0  -0.297   6.7596   0.5590   1.9186
 JUH  F41  F  F     0  -0.296   6.7275  -1.3837   0.9840
 JUH  H1   H  HCH3  0   0.267  -1.7315   7.2799  -0.1827
 JUH  H2   H  HCH3  0   0.250  -3.4079   7.0089  -0.6403
 JUH  H3   H  HCH3  0   0.251  -2.9489   7.0657   1.0695
 JUH  H4   H  HCH2  0   0.300  -2.0108   4.9190  -0.9370
 JUH  H5   H  HCH2  0   0.300  -1.5805   4.9686   0.7793
 JUH  H6   H  HCR6  0   0.288  -2.7540   2.5319   2.4650
 JUH  H7   H  HCR6  0   0.274  -1.9746   0.2085   2.3421
 JUH  H8   H  HCR6  0   0.271  -2.9177   0.0992  -1.8391
 JUH  H9   H  HCR6  0   0.287  -3.7028   2.4182  -1.7290
 JUH  H10  H  HCH1  0   0.319  -1.7591  -1.8210   1.1683
 JUH  H11  H  HCH2  0   0.297  -4.8155  -2.9471  -2.0987
 JUH  H12  H  HCH2  0   0.297  -4.0715  -4.3841  -1.4446
 JUH  H13  H  HCR6  0   0.255  -7.3918  -6.3933   1.2817
 JUH  H14  H  HCR6  0   0.255  -9.4213  -5.0384   0.8592
 JUH  H15  H  HCR6  0   0.255  -9.2599  -2.9880  -0.5187
 JUH  H16  H  HCR6  0   0.249  -7.0924  -2.2998  -1.4622
 JUH  H17  H  HNH1  0   0.424   0.2343  -0.9418   1.3490
 JUH  H18  H  HCR6  0   0.283   2.1482  -0.2398   2.2152
 JUH  H19  H  HCR6  0   0.273   4.2172  -0.4150  -2.2360
 JUH  H20  H  HCR6  0   0.289   1.9125  -1.0310  -1.9998
 JUH  H21  H  HNH1  0   0.411  -2.3682  -2.5436  -1.5521
 JUH  H22  H  HCR6  0   0.249  -5.2253  -5.7021   0.3362
 JUH  H23  H  HCR6  0   0.270   4.4534   0.3687   1.9889
 JUH  H24  H  HOH1  0   0.479   6.2980  -1.0235  -1.6752
 JUH  C14  C  C     0   0.575  -3.9040  -2.6575  -0.1946
 JUH  N25  N  NH1   0  -0.742   0.5062  -0.9997   0.3786

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
 JUH  F37  C34  single    1.332  0.020  1.332
 JUH  O5   S3   double    1.463  0.020  1.463
 JUH  F35  C34  single    1.333  0.020  1.333
 JUH  F36  C34  single    1.331  0.020  1.331
 JUH  C1   C2   single    1.519  0.020  1.519
 JUH  C34  C32  single    1.545  0.020  1.545
 JUH  C2   S3   single    1.791  0.020  1.791
 JUH  S3   O4   double    1.463  0.020  1.463
 JUH  S3   C6   single    1.773  0.020  1.773
 JUH  F40  C38  single    1.335  0.020  1.335
 JUH  F39  C38  single    1.330  0.020  1.330
 JUH  C32  C38  single    1.554  0.020  1.554
 JUH  C32  C29  single    1.524  0.020  1.524
 JUH  C32  O33  single    1.390  0.020  1.390
 JUH  C7   C6   aromatic  1.387  0.020  1.387
 JUH  C7   C8   aromatic  1.386  0.020  1.386
 JUH  C30  C29  aromatic  1.390  0.020  1.390
 JUH  C30  C31  aromatic  1.387  0.020  1.387
 JUH  C38  F41  single    1.335  0.020  1.335
 JUH  C6   C11  aromatic  1.389  0.020  1.389
 JUH  C29  C28  aromatic  1.394  0.020  1.394
 JUH  C31  C26  aromatic  1.392  0.020  1.392
 JUH  C8   C9   aromatic  1.389  0.020  1.389
 JUH  C28  C27  aromatic  1.380  0.020  1.380
 JUH  C11  C10  aromatic  1.384  0.020  1.384
 JUH  C26  C27  aromatic  1.395  0.020  1.395
 JUH  C26  N25  single    1.396  0.020  1.396
 JUH  C9   C10  aromatic  1.391  0.020  1.391
 JUH  C9   C12  single    1.518  0.020  1.518
 JUH  N25  C23  single    1.351  0.020  1.351
 JUH  C23  C12  single    1.532  0.020  1.532
 JUH  C23  O24  double    1.214  0.020  1.214
 JUH  C12  N13  single    1.433  0.020  1.433
 JUH  N13  C14  single    1.348  0.020  1.348
 JUH  O15  C14  double    1.218  0.020  1.218
 JUH  C14  C16  single    1.519  0.020  1.519
 JUH  C16  C17  single    1.498  0.020  1.498
 JUH  C22  C17  aromatic  1.391  0.020  1.391
 JUH  C22  C21  aromatic  1.389  0.020  1.389
 JUH  C17  C18  aromatic  1.392  0.020  1.392
 JUH  C21  C20  aromatic  1.389  0.020  1.389
 JUH  C18  C19  aromatic  1.388  0.020  1.388
 JUH  C20  C19  aromatic  1.389  0.020  1.389
 JUH  C1   H1   single    0.970  0.020  1.090
 JUH  C1   H2   single    0.970  0.020  1.090
 JUH  C1   H3   single    0.970  0.020  1.090
 JUH  C2   H4   single    0.970  0.020  1.090
 JUH  C2   H5   single    0.970  0.020  1.090
 JUH  C7   H6   single    0.930  0.020  1.080
 JUH  C8   H7   single    0.930  0.020  1.080
 JUH  C10  H8   single    0.930  0.020  1.080
 JUH  C11  H9   single    0.930  0.020  1.080
 JUH  C12  H10  single    0.970  0.020  1.090
 JUH  C16  H11  single    0.970  0.020  1.090
 JUH  C16  H12  single    0.970  0.020  1.090
 JUH  C19  H13  single    0.930  0.020  1.080
 JUH  C20  H14  single    0.930  0.020  1.080
 JUH  C21  H15  single    0.930  0.020  1.080
 JUH  C22  H16  single    0.930  0.020  1.080
 JUH  N25  H17  single    0.860  0.020  1.020
 JUH  C27  H18  single    0.930  0.020  1.080
 JUH  C30  H19  single    0.930  0.020  1.080
 JUH  C31  H20  single    0.930  0.020  1.080
 JUH  N13  H21  single    0.860  0.020  1.020
 JUH  C18  H22  single    0.930  0.020  1.080
 JUH  C28  H23  single    0.930  0.020  1.080
 JUH  O33  H24  single    0.850  0.020  0.980

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
 JUH  H3   C1   H2   108.92  3.000
 JUH  H3   C1   H1   107.83  3.000
 JUH  H2   C1   H1   107.76  3.000
 JUH  H3   C1   C2   111.73  3.000
 JUH  H2   C1   C2   111.70  3.000
 JUH  H1   C1   C2   108.74  3.000
 JUH  H5   C2   H4   108.47  3.000
 JUH  H5   C2   S3   106.82  3.000
 JUH  H4   C2   S3   106.83  3.000
 JUH  H5   C2   C1   111.94  3.000
 JUH  H4   C2   C1   111.89  3.000
 JUH  S3   C2   C1   110.61  3.000
 JUH  H6   C7   C6   121.15  3.000
 JUH  H6   C7   C8   119.92  3.000
 JUH  C6   C7   C8   118.93  3.000
 JUH  H7   C8   C9   120.24  3.000
 JUH  H7   C8   C7   119.18  3.000
 JUH  C9   C8   C7   120.57  3.000
 JUH  C12  C9   C10  119.94  3.000
 JUH  C12  C9   C8   120.36  3.000
 JUH  C10  C9   C8   119.68  3.000
 JUH  H8   C10  C11  119.27  3.000
 JUH  H8   C10  C9   120.32  3.000
 JUH  C11  C10  C9   120.41  3.000
 JUH  H9   C11  C6   121.10  3.000
 JUH  H9   C11  C10  119.81  3.000
 JUH  C6   C11  C10  119.09  3.000
 JUH  H10  C12  C23  109.27  3.000
 JUH  H10  C12  N13  109.71  3.000
 JUH  C23  C12  N13  108.74  3.000
 JUH  H10  C12  C9   108.77  3.000
 JUH  N13  C12  C9   112.97  3.000
 JUH  C23  C12  C9   107.30  3.000
 JUH  H12  C16  H11  105.85  3.000
 JUH  H12  C16  C17  110.82  3.000
 JUH  H11  C16  C17  110.68  3.000
 JUH  H12  C16  C14  108.76  3.000
 JUH  H11  C16  C14  108.19  3.000
 JUH  C17  C16  C14  112.29  3.000
 JUH  H13  C19  C18  119.83  3.000
 JUH  H13  C19  C20  120.08  3.000
 JUH  C18  C19  C20  120.09  3.000
 JUH  H14  C20  C21  120.20  3.000
 JUH  H14  C20  C19  120.22  3.000
 JUH  C21  C20  C19  119.59  3.000
 JUH  H15  C21  C22  119.82  3.000
 JUH  H15  C21  C20  120.08  3.000
 JUH  C22  C21  C20  120.10  3.000
 JUH  H16  C22  C17  119.69  3.000
 JUH  H16  C22  C21  119.57  3.000
 JUH  C17  C22  C21  120.73  3.000
 JUH  H18  C27  C28  118.91  3.000
 JUH  H18  C27  C26  119.93  3.000
 JUH  C28  C27  C26  121.16  3.000
 JUH  H19  C30  C29  120.86  3.000
 JUH  H19  C30  C31  117.10  3.000
 JUH  C29  C30  C31  122.05  3.000
 JUH  H20  C31  C26  121.60  3.000
 JUH  H20  C31  C30  118.74  3.000
 JUH  C26  C31  C30  119.66  3.000
 JUH  C38  C32  O33  107.11  3.000
 JUH  O33  C32  C29  113.06  3.000
 JUH  C38  C32  C29  112.25  3.000
 JUH  O33  C32  C34  104.18  3.000
 JUH  C29  C32  C34  108.45  3.000
 JUH  C38  C32  C34  111.55  3.000
 JUH  F37  C34  F36  107.63  3.000
 JUH  F36  C34  F35  107.42  3.000
 JUH  F37  C34  F35  107.65  3.000
 JUH  F36  C34  C32  109.71  3.000
 JUH  F35  C34  C32  112.46  3.000
 JUH  F37  C34  C32  111.75  3.000
 JUH  C6   S3   O5   108.31  3.000
 JUH  C6   S3   O4   108.55  3.000
 JUH  O5   S3   O4   118.42  3.000
 JUH  C6   S3   C2   103.76  3.000
 JUH  O4   S3   C2   108.37  3.000
 JUH  O5   S3   C2   108.45  3.000
 JUH  S3   C6   C11  119.16  3.000
 JUH  C11  C6   C7   121.32  3.000
 JUH  S3   C6   C7   119.52  3.000
 JUH  H21  N13  C14  120.42  3.000
 JUH  H21  N13  C12  118.37  3.000
 JUH  C14  N13  C12  121.08  3.000
 JUH  C18  C17  C22  118.75  3.000
 JUH  C18  C17  C16  120.54  3.000
 JUH  C22  C17  C16  120.70  3.000
 JUH  H22  C18  C17  119.60  3.000
 JUH  H22  C18  C19  119.66  3.000
 JUH  C17  C18  C19  120.74  3.000
 JUH  O24  C23  N25  125.44  3.000
 JUH  O24  C23  C12  121.52  3.000
 JUH  N25  C23  C12  112.98  3.000
 JUH  C31  C26  C27  118.64  3.000
 JUH  C27  C26  N25  116.53  3.000
 JUH  C31  C26  N25  124.82  3.000
 JUH  H23  C28  C29  122.24  3.000
 JUH  H23  C28  C27  117.06  3.000
 JUH  C29  C28  C27  120.69  3.000
 JUH  C28  C29  C32  123.50  3.000
 JUH  C28  C29  C30  117.79  3.000
 JUH  C32  C29  C30  118.67  3.000
 JUH  H24  O33  C32  110.42  3.000
 JUH  F41  C38  F40  107.72  3.000
 JUH  F41  C38  F39  107.29  3.000
 JUH  F40  C38  F39  106.96  3.000
 JUH  F41  C38  C32  109.38  3.000
 JUH  F39  C38  C32  111.44  3.000
 JUH  F40  C38  C32  113.77  3.000
 JUH  O15  C14  N13  122.12  3.000
 JUH  O15  C14  C16  123.50  3.000
 JUH  N13  C14  C16  114.38  3.000
 JUH  H17  N25  C26  114.50  3.000
 JUH  H17  N25  C23  116.14  3.000
 JUH  C26  N25  C23  129.36  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
 JUH  CONST_01  C10  C11  C6   C7      0.00   0.0  0
 JUH  CONST_02  C10  C9   C8   C7      0.00   0.0  0
 JUH  CONST_03  C11  C6   C7   C8      0.00   0.0  0
 JUH  CONST_04  C11  C10  C9   C8      0.00   0.0  0
 JUH  CONST_05  C6   C7   C8   C9      0.00   0.0  0
 JUH  CONST_06  C6   C11  C10  C9      0.00   0.0  0
 JUH  CONST_07  C22  C17  C18  C19     0.00   0.0  0
 JUH  CONST_08  C22  C21  C20  C19     0.00   0.0  0
 JUH  CONST_09  C17  C22  C21  C20     0.00   0.0  0
 JUH  CONST_10  C17  C18  C19  C20     0.00   0.0  0
 JUH  CONST_11  C18  C17  C22  C21     0.00   0.0  0
 JUH  CONST_12  C18  C19  C20  C21     0.00   0.0  0
 JUH  CONST_13  C30  C29  C28  C27     0.00   0.0  0
 JUH  CONST_14  C30  C31  C26  C27     0.00   0.0  0
 JUH  CONST_15  C28  C29  C30  C31     0.00   0.0  0
 JUH  CONST_16  C28  C27  C26  C31     0.00   0.0  0
 JUH  CONST_17  C29  C30  C31  C26     0.00   0.0  0
 JUH  CONST_18  C29  C28  C27  C26     0.00   0.0  0
 JUH  CONST_19  C12  C9   C8   C7    180.00   0.0  0
 JUH  CONST_20  S3   C6   C7   C8    180.00   0.0  0
 JUH  CONST_21  S3   C6   C11  C10   180.00   0.0  0
 JUH  CONST_22  C12  C9   C10  C11   180.00   0.0  0
 JUH  CONST_23  C21  C22  C17  C16   180.00   0.0  0
 JUH  CONST_24  C19  C18  C17  C16   180.00   0.0  0
 JUH  CONST_25  C30  C31  C26  N25   180.00   0.0  0
 JUH  CONST_26  C28  C27  C26  N25   180.00   0.0  0
 JUH  CONST_27  C32  C29  C28  C27   180.00   0.0  0
 JUH  CONST_28  C32  C29  C30  C31   180.00   0.0  0
 JUH  CONST_29  H9   C11  C6   C7    180.00   0.0  0
 JUH  CONST_30  H8   C10  C9   C8    180.00   0.0  0
 JUH  CONST_31  H6   C7   C8   C9    180.00   0.0  0
 JUH  CONST_32  H7   C8   C9   C10   180.00   0.0  0
 JUH  CONST_33  H15  C21  C20  C19   180.00   0.0  0
 JUH  CONST_34  H16  C22  C21  C20   180.00   0.0  0
 JUH  CONST_35  H22  C18  C19  C20   180.00   0.0  0
 JUH  CONST_36  H13  C19  C20  C21   180.00   0.0  0
 JUH  CONST_37  H14  C20  C21  C22   180.00   0.0  0
 JUH  CONST_38  H20  C31  C26  C27   180.00   0.0  0
 JUH  CONST_39  H23  C28  C29  C30   180.00   0.0  0
 JUH  CONST_40  H18  C27  C26  C31   180.00   0.0  0
 JUH  CONST_41  H19  C30  C31  C26   180.00   0.0  0
 JUH  CONST_42  C23  N25  C26  C27   180.00   0.0  0
 JUH  CONST_43  C23  N25  C26  C31     0.00   0.0  0
 JUH  CONST_44  H17  N25  C26  C27     0.00   0.0  0
 JUH  CONST_45  C26  N25  C23  C12   180.00   0.0  0
 JUH  CONST_46  C26  N25  C23  O24     0.00   0.0  0
 JUH  CONST_47  O15  C14  N13  C12     0.00   0.0  0
 JUH  CONST_48  C16  C14  N13  C12   180.00   0.0  0
 JUH  CONST_49  H21  N13  C14  C16     0.00   0.0  0
 JUH  Var_01    C7   C6   S3   C2     90.85  30.0  2
 JUH  Var_02    C22  C17  C16  C14    92.12  30.0  2
 JUH  Var_03    C34  C32  C29  C30    94.33  30.0  2
 JUH  Var_04    C6   S3   C2   C1   -179.51  30.0  3
 JUH  Var_05    C17  C16  C14  N13   178.13  30.0  3
 JUH  Var_06    F37  C34  C32  C29    57.61  30.0  3
 JUH  Var_07    F40  C38  C32  C29   -70.18  30.0  3
 JUH  Var_08    H1   C1   C2   S3   -178.96  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
 JUH  chir_01  C12  C9  C23  N13  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
 JUH  plan-1  C7   0.020
 JUH  plan-1  C8   0.020
 JUH  plan-1  C9   0.020
 JUH  plan-1  C10  0.020
 JUH  plan-1  C11  0.020
 JUH  plan-1  C12  0.020
 JUH  plan-1  S3   0.020
 JUH  plan-1  C6   0.020
 JUH  plan-1  H6   0.020
 JUH  plan-1  H7   0.020
 JUH  plan-1  H8   0.020
 JUH  plan-1  H9   0.020
 JUH  plan-2  C16  0.020
 JUH  plan-2  C19  0.020
 JUH  plan-2  C20  0.020
 JUH  plan-2  C21  0.020
 JUH  plan-2  C22  0.020
 JUH  plan-2  C17  0.020
 JUH  plan-2  C18  0.020
 JUH  plan-2  H13  0.020
 JUH  plan-2  H14  0.020
 JUH  plan-2  H15  0.020
 JUH  plan-2  H16  0.020
 JUH  plan-2  H22  0.020
 JUH  plan-3  C27  0.020
 JUH  plan-3  C30  0.020
 JUH  plan-3  C31  0.020
 JUH  plan-3  C32  0.020
 JUH  plan-3  C26  0.020
 JUH  plan-3  C28  0.020
 JUH  plan-3  C29  0.020
 JUH  plan-3  H18  0.020
 JUH  plan-3  H19  0.020
 JUH  plan-3  H20  0.020
 JUH  plan-3  H23  0.020
 JUH  plan-3  N25  0.020
 JUH  plan-4  C12  0.020
 JUH  plan-4  C23  0.020
 JUH  plan-4  O24  0.020
 JUH  plan-4  C26  0.020
 JUH  plan-4  H17  0.020
 JUH  plan-4  N25  0.020
 JUH  plan-5  C12  0.020
 JUH  plan-5  C16  0.020
 JUH  plan-5  N13  0.020
 JUH  plan-5  O15  0.020
 JUH  plan-5  H21  0.020
 JUH  plan-5  C14  0.020

