# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Jul 30 04:04:45 2022
#   Inital geometry file: a 135 line input string
#   Ligand name: 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O=C(Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2)C(c3ccccc3)c4ccccc4
#
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
 8DE  8DE  "2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide"
  ligand  50  31  .  2022-09-16  2022-09-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_8DE
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
 8DE  C01  C  CR15  0  -0.503   99.9671  141.2790  144.3082
 8DE  C03  C  CR5   0   0.283  101.2375  143.2090  144.9957
 8DE  C08  C  CR6   0  -0.219  101.2238  144.3174  148.0789
 8DE  C09  C  CR16  0  -0.217  100.7255  145.6053  148.2288
 8DE  C10  C  CR16  0  -0.298   99.5708  145.8248  148.9547
 8DE  C11  C  CR6   0   0.402   98.8998  144.7446  149.5394
 8DE  C13  C  C     0   0.571   96.8622  145.9202  150.3269
 8DE  C15  C  CH1   0  -0.596   95.5932  145.5993  151.1162
 8DE  C16  C  CR6   0   0.207   94.8228  146.8507  151.4629
 8DE  C17  C  CR16  0  -0.316   94.8271  147.3197  152.7720
 8DE  C18  C  CR16  0  -0.239   94.1252  148.4678  153.1194
 8DE  C19  C  CR16  0  -0.266   93.4127  149.1636  152.1544
 8DE  C20  C  CR16  0  -0.242   93.4026  148.7012  150.8436
 8DE  C21  C  CR16  0  -0.291   94.1010  147.5533  150.5014
 8DE  C22  C  CR6   0   0.146   94.7394  144.5806  150.3836
 8DE  C23  C  CR16  0  -0.289   93.9858  143.6738  151.1246
 8DE  C24  C  CR16  0  -0.240   93.1605  142.7547  150.4932
 8DE  C25  C  CR16  0  -0.263   93.0800  142.7284  149.1069
 8DE  C26  C  CR16  0  -0.239   93.8310  143.6252  148.3602
 8DE  C27  C  CR16  0  -0.304   94.6553  144.5456  148.9939
 8DE  C28  C  CR16  0  -0.334   99.4255  143.4565  149.3937
 8DE  C29  C  CR16  0  -0.215  100.5781  143.2373  148.6674
 8DE  C31  C  CR15  0  -0.015   99.6128  142.4556  143.7420
 8DE  N04  N  NC1   0  -0.776  102.1400  144.1240  145.5079
 8DE  N12  N  NH1   0  -0.735   97.7323  144.8693  150.2805
 8DE  N30  N  N     0  -0.397  100.3317  143.5484  144.1402
 8DE  O06  O  OS    0  -0.628  103.1341  142.7117  147.3024
 8DE  O07  O  OS    0  -0.625  103.5421  145.2055  147.2376
 8DE  O14  O  O     0  -0.424   97.0593  146.9867  149.7882
 8DE  S02  S  S2    0   0.230  101.2894  141.5219  145.3833
 8DE  S05  S  S     0   1.359  102.6594  144.0675  147.0981
 8DE  H1   H  HCR5  0   0.307   99.5294  140.3036  144.1693
 8DE  H3   H  HCR6  0   0.290  101.2318  146.4533  147.7864
 8DE  H4   H  HCR6  0   0.295   99.2095  146.8327  149.0660
 8DE  H5   H  HCH1  0   0.313   95.9137  145.1369  152.0562
 8DE  H6   H  HCR6  0   0.252   95.3818  146.7815  153.5318
 8DE  H7   H  HCR6  0   0.254   94.1357  148.8144  154.1447
 8DE  H8   H  HCR6  0   0.254   92.8635  150.0576  152.4205
 8DE  H9   H  HCR6  0   0.254   92.8469  149.2364  150.0844
 8DE  H10  H  HCR6  0   0.252   94.0703  147.2033  149.4774
 8DE  H11  H  HCR6  0   0.257   94.0461  143.6883  152.2066
 8DE  H12  H  HCR6  0   0.257   92.5833  142.0561  151.0851
 8DE  H13  H  HCR6  0   0.257   92.4395  142.0101  148.6119
 8DE  H14  H  HCR6  0   0.257   93.7789  143.6102  147.2792
 8DE  H15  H  HCR6  0   0.257   95.2314  145.2349  148.3877
 8DE  H16  H  HCR6  0   0.288   98.9213  142.6132  149.8498
 8DE  H17  H  HCR6  0   0.290  100.9625  142.2316  148.5727
 8DE  H18  H  HCR5  0   0.277   98.8136  142.5793  143.0257
 8DE  H19  H  HNH1  0   0.427   97.4321  144.0259  150.7495
 8DE  H2   H  HNC1  0   0.436  102.0140  145.0643  145.1426

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
 8DE  C01  C31  aromatic  1.353  0.020  1.353
 8DE  C01  S02  aromatic  1.721  0.020  1.721
 8DE  C03  N04  single    1.384  0.020  1.384
 8DE  C03  N30  aromatic  1.291  0.020  1.291
 8DE  C03  S02  aromatic  1.732  0.020  1.732
 8DE  C08  C09  aromatic  1.389  0.020  1.389
 8DE  C08  C29  aromatic  1.389  0.020  1.389
 8DE  C08  S05  single    1.757  0.020  1.757
 8DE  C09  C10  aromatic  1.381  0.020  1.381
 8DE  C10  C11  aromatic  1.400  0.020  1.400
 8DE  C11  C28  aromatic  1.399  0.020  1.399
 8DE  C11  N12  single    1.388  0.020  1.388
 8DE  C13  C15  single    1.528  0.020  1.528
 8DE  C13  N12  single    1.365  0.020  1.365
 8DE  C13  O14  double    1.211  0.020  1.211
 8DE  C15  C16  single    1.510  0.020  1.510
 8DE  C15  C22  single    1.518  0.020  1.518
 8DE  C16  C17  aromatic  1.391  0.020  1.391
 8DE  C16  C21  aromatic  1.392  0.020  1.392
 8DE  C17  C18  aromatic  1.390  0.020  1.390
 8DE  C18  C19  aromatic  1.387  0.020  1.387
 8DE  C19  C20  aromatic  1.390  0.020  1.390
 8DE  C20  C21  aromatic  1.387  0.020  1.387
 8DE  C22  C23  aromatic  1.393  0.020  1.393
 8DE  C22  C27  aromatic  1.393  0.020  1.393
 8DE  C23  C24  aromatic  1.387  0.020  1.387
 8DE  C24  C25  aromatic  1.389  0.020  1.389
 8DE  C25  C26  aromatic  1.388  0.020  1.388
 8DE  C26  C27  aromatic  1.389  0.020  1.389
 8DE  C28  C29  aromatic  1.380  0.020  1.380
 8DE  C31  N30  aromatic  1.367  0.020  1.367
 8DE  N04  S05  single    1.674  0.020  1.674
 8DE  O06  S05  double    1.451  0.020  1.451
 8DE  O07  S05  double    1.447  0.020  1.447
 8DE  C01  H1   single    0.930  0.020  1.080
 8DE  C09  H3   single    0.930  0.020  1.080
 8DE  C10  H4   single    0.930  0.020  1.080
 8DE  C15  H5   single    0.970  0.020  1.090
 8DE  C17  H6   single    0.930  0.020  1.080
 8DE  C18  H7   single    0.930  0.020  1.080
 8DE  C19  H8   single    0.930  0.020  1.080
 8DE  C20  H9   single    0.930  0.020  1.080
 8DE  C21  H10  single    0.930  0.020  1.080
 8DE  C23  H11  single    0.930  0.020  1.080
 8DE  C24  H12  single    0.930  0.020  1.080
 8DE  C25  H13  single    0.930  0.020  1.080
 8DE  C26  H14  single    0.930  0.020  1.080
 8DE  C27  H15  single    0.930  0.020  1.080
 8DE  C28  H16  single    0.930  0.020  1.080
 8DE  C29  H17  single    0.930  0.020  1.080
 8DE  C31  H18  single    0.930  0.020  1.080
 8DE  N12  H19  single    0.860  0.020  1.020
 8DE  N04  H2   single    0.890  0.020  1.040

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
 8DE  H1   C01  S02  121.33  3.000
 8DE  H1   C01  C31  128.80  3.000
 8DE  S02  C01  C31  109.86  3.000
 8DE  S02  C03  N30  115.17  3.000
 8DE  S02  C03  N04  122.81  3.000
 8DE  N30  C03  N04  121.94  3.000
 8DE  S05  C08  C29  120.38  3.000
 8DE  S05  C08  C09  119.04  3.000
 8DE  C29  C08  C09  120.56  3.000
 8DE  H3   C09  C10  118.78  3.000
 8DE  H3   C09  C08  120.97  3.000
 8DE  C10  C09  C08  120.25  3.000
 8DE  H4   C10  C11  121.24  3.000
 8DE  H4   C10  C09  118.92  3.000
 8DE  C11  C10  C09  119.85  3.000
 8DE  N12  C11  C28  117.02  3.000
 8DE  N12  C11  C10  123.84  3.000
 8DE  C28  C11  C10  119.14  3.000
 8DE  O14  C13  N12  124.00  3.000
 8DE  O14  C13  C15  123.34  3.000
 8DE  N12  C13  C15  112.65  3.000
 8DE  H5   C15  C22  107.18  3.000
 8DE  H5   C15  C16  107.59  3.000
 8DE  C22  C15  C16  112.34  3.000
 8DE  H5   C15  C13  106.79  3.000
 8DE  C22  C15  C13  111.02  3.000
 8DE  C16  C15  C13  111.61  3.000
 8DE  C21  C16  C17  118.78  3.000
 8DE  C21  C16  C15  121.61  3.000
 8DE  C17  C16  C15  119.61  3.000
 8DE  H6   C17  C18  119.57  3.000
 8DE  H6   C17  C16  119.61  3.000
 8DE  C18  C17  C16  120.82  3.000
 8DE  H7   C18  C19  120.23  3.000
 8DE  H7   C18  C17  119.76  3.000
 8DE  C19  C18  C17  120.00  3.000
 8DE  H8   C19  C20  120.20  3.000
 8DE  H8   C19  C18  120.27  3.000
 8DE  C20  C19  C18  119.54  3.000
 8DE  H9   C20  C21  119.65  3.000
 8DE  H9   C20  C19  120.05  3.000
 8DE  C21  C20  C19  120.30  3.000
 8DE  H10  C21  C20  119.13  3.000
 8DE  H10  C21  C16  120.31  3.000
 8DE  C20  C21  C16  120.55  3.000
 8DE  C27  C22  C23  118.81  3.000
 8DE  C27  C22  C15  122.18  3.000
 8DE  C23  C22  C15  118.99  3.000
 8DE  H11  C23  C24  119.76  3.000
 8DE  H11  C23  C22  119.50  3.000
 8DE  C24  C23  C22  120.74  3.000
 8DE  H12  C24  C25  120.18  3.000
 8DE  H12  C24  C23  119.73  3.000
 8DE  C25  C24  C23  120.08  3.000
 8DE  H13  C25  C26  120.20  3.000
 8DE  H13  C25  C24  120.23  3.000
 8DE  C26  C25  C24  119.57  3.000
 8DE  H14  C26  C27  119.58  3.000
 8DE  H14  C26  C25  120.16  3.000
 8DE  C27  C26  C25  120.27  3.000
 8DE  H15  C27  C26  118.81  3.000
 8DE  H15  C27  C22  120.67  3.000
 8DE  C26  C27  C22  120.53  3.000
 8DE  H16  C28  C29  119.13  3.000
 8DE  H16  C28  C11  119.87  3.000
 8DE  C29  C28  C11  120.99  3.000
 8DE  H17  C29  C28  119.40  3.000
 8DE  H17  C29  C08  121.41  3.000
 8DE  C28  C29  C08  119.19  3.000
 8DE  H18  C31  N30  119.37  3.000
 8DE  H18  C31  C01  124.80  3.000
 8DE  N30  C31  C01  115.82  3.000
 8DE  H2   N04  S05  114.27  3.000
 8DE  H2   N04  C03  113.44  3.000
 8DE  S05  N04  C03  122.12  3.000
 8DE  H19  N12  C13  115.93  3.000
 8DE  H19  N12  C11  115.00  3.000
 8DE  C13  N12  C11  128.55  3.000
 8DE  C31  N30  C03  110.59  3.000
 8DE  C03  S02  C01   88.55  3.000
 8DE  O07  S05  O06  121.45  3.000
 8DE  O07  S05  N04  104.73  3.000
 8DE  O06  S05  N04  105.48  3.000
 8DE  O07  S05  C08  109.44  3.000
 8DE  O06  S05  C08  108.77  3.000
 8DE  N04  S05  C08  105.79  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
 8DE  CONST_01  C03  N30  C31  C01     0.00   0.0  0
 8DE  CONST_02  N30  C03  S02  C01     0.00   0.0  0
 8DE  CONST_03  C31  C01  S02  C03     0.00   0.0  0
 8DE  CONST_04  C11  C10  C09  C08     0.00   0.0  0
 8DE  CONST_05  C11  C28  C29  C08     0.00   0.0  0
 8DE  CONST_06  C28  C29  C08  C09     0.00   0.0  0
 8DE  CONST_07  C28  C11  C10  C09     0.00   0.0  0
 8DE  CONST_08  C29  C08  C09  C10     0.00   0.0  0
 8DE  CONST_09  C29  C28  C11  C10     0.00   0.0  0
 8DE  CONST_10  C19  C18  C17  C16     0.00   0.0  0
 8DE  CONST_11  C19  C20  C21  C16     0.00   0.0  0
 8DE  CONST_12  C20  C21  C16  C17     0.00   0.0  0
 8DE  CONST_13  C20  C19  C18  C17     0.00   0.0  0
 8DE  CONST_14  C21  C16  C17  C18     0.00   0.0  0
 8DE  CONST_15  C21  C20  C19  C18     0.00   0.0  0
 8DE  CONST_16  C25  C24  C23  C22     0.00   0.0  0
 8DE  CONST_17  C25  C26  C27  C22     0.00   0.0  0
 8DE  CONST_18  C26  C27  C22  C23     0.00   0.0  0
 8DE  CONST_19  C26  C25  C24  C23     0.00   0.0  0
 8DE  CONST_20  C27  C22  C23  C24     0.00   0.0  0
 8DE  CONST_21  C27  C26  C25  C24     0.00   0.0  0
 8DE  CONST_22  S02  C03  N30  C31     0.00   0.0  0
 8DE  CONST_23  S02  C01  C31  N30     0.00   0.0  0
 8DE  CONST_24  N04  C03  S02  C01   180.00   0.0  0
 8DE  CONST_25  N12  C11  C10  C09   180.00   0.0  0
 8DE  CONST_26  S05  C08  C09  C10   180.00   0.0  0
 8DE  CONST_27  C18  C17  C16  C15   180.00   0.0  0
 8DE  CONST_28  C20  C21  C16  C15   180.00   0.0  0
 8DE  CONST_29  C24  C23  C22  C15   180.00   0.0  0
 8DE  CONST_30  C26  C27  C22  C15   180.00   0.0  0
 8DE  CONST_31  S05  C08  C29  C28   180.00   0.0  0
 8DE  CONST_32  N12  C11  C28  C29   180.00   0.0  0
 8DE  CONST_33  N04  C03  N30  C31   180.00   0.0  0
 8DE  CONST_34  H18  C31  N30  C03   180.00   0.0  0
 8DE  CONST_35  H1   C01  S02  C03   180.00   0.0  0
 8DE  CONST_36  H4   C10  C09  C08   180.00   0.0  0
 8DE  CONST_37  H16  C28  C29  C08   180.00   0.0  0
 8DE  CONST_38  H17  C29  C08  C09   180.00   0.0  0
 8DE  CONST_39  H16  C28  C11  C10   180.00   0.0  0
 8DE  CONST_40  H3   C09  C10  C11   180.00   0.0  0
 8DE  CONST_41  H17  C29  C28  C11   180.00   0.0  0
 8DE  CONST_42  H7   C18  C17  C16   180.00   0.0  0
 8DE  CONST_43  H9   C20  C21  C16   180.00   0.0  0
 8DE  CONST_44  H10  C21  C16  C17   180.00   0.0  0
 8DE  CONST_45  H8   C19  C18  C17   180.00   0.0  0
 8DE  CONST_46  H9   C20  C19  C18   180.00   0.0  0
 8DE  CONST_47  H6   C17  C18  C19   180.00   0.0  0
 8DE  CONST_48  H10  C21  C20  C19   180.00   0.0  0
 8DE  CONST_49  H7   C18  C19  C20   180.00   0.0  0
 8DE  CONST_50  H6   C17  C16  C21   180.00   0.0  0
 8DE  CONST_51  H8   C19  C20  C21   180.00   0.0  0
 8DE  CONST_52  H12  C24  C23  C22   180.00   0.0  0
 8DE  CONST_53  H14  C26  C27  C22   180.00   0.0  0
 8DE  CONST_54  H15  C27  C22  C23   180.00   0.0  0
 8DE  CONST_55  H13  C25  C24  C23   180.00   0.0  0
 8DE  CONST_56  H14  C26  C25  C24   180.00   0.0  0
 8DE  CONST_57  H11  C23  C24  C25   180.00   0.0  0
 8DE  CONST_58  H15  C27  C26  C25   180.00   0.0  0
 8DE  CONST_59  H12  C24  C25  C26   180.00   0.0  0
 8DE  CONST_60  H11  C23  C22  C27   180.00   0.0  0
 8DE  CONST_61  H13  C25  C26  C27   180.00   0.0  0
 8DE  CONST_62  H4   C10  C11  C28   180.00   0.0  0
 8DE  CONST_63  H3   C09  C08  C29   180.00   0.0  0
 8DE  CONST_64  H1   C01  C31  N30   180.00   0.0  0
 8DE  CONST_65  H18  C31  C01  S02   180.00   0.0  0
 8DE  CONST_70  H19  N12  C11  C10   180.00   0.0  0
 8DE  CONST_71  H19  N12  C11  C28     0.00   0.0  0
 8DE  CONST_72  H2   N04  C03  N30     0.00   0.0  0
 8DE  CONST_73  H2   N04  C03  S02   180.00   0.0  0
 8DE  CONST_74  C15  C13  N12  C11   180.00   0.0  0
 8DE  CONST_75  O14  C13  N12  C11     0.00   0.0  0
 8DE  CONST_76  H19  N12  C13  C15     0.00   0.0  0
 8DE  CONST_77  H19  N12  C13  O14   180.00   0.0  0
 8DE  Var_01    C23  C22  C15  C16   -86.97  30.0  2
 8DE  Var_02    C27  C22  C15  C16    91.23  30.0  2
 8DE  Var_03    C22  C15  C16  C17   127.97  30.0  2
 8DE  Var_04    C22  C15  C16  C21   -51.95  30.0  2
 8DE  Var_05    C08  S05  N04  C03   -62.45  30.0  3
 8DE  Var_06    N04  S05  C08  C09   -78.19  30.0  2
 8DE  Var_07    O06  S05  C08  C09   168.92  30.0  2
 8DE  Var_08    O07  S05  C08  C09    34.15  30.0  2
 8DE  Var_09    C17  C16  C15  C13  -106.59  30.0  2
 8DE  Var_10    C21  C16  C15  C13    73.48  30.0  2
 8DE  Var_11    C23  C22  C15  C13   147.27  30.0  2
 8DE  Var_12    C27  C22  C15  C13   -34.53  30.0  2
 8DE  Var_13    N04  S05  C08  C29   100.19  30.0  2
 8DE  Var_14    O06  S05  C08  C29   -12.70  30.0  2
 8DE  Var_15    O07  S05  C08  C29  -147.47  30.0  2
 8DE  Var_16    H5   C15  C16  C17    10.24  30.0  2
 8DE  Var_17    H5   C15  C16  C21  -169.69  30.0  2
 8DE  Var_18    H5   C15  C22  C23    31.00  30.0  2
 8DE  Var_19    H5   C15  C22  C27  -150.80  30.0  2
 8DE  Var_20    O06  S05  N04  C03    52.72  30.0  3
 8DE  Var_21    O07  S05  N04  C03  -178.04  30.0  3
 8DE  Var_22    N12  C13  C15  C16   165.12  30.0  2
 8DE  Var_23    O14  C13  C15  C16   -15.84  30.0  2
 8DE  Var_24    N12  C13  C15  C22   -68.72  30.0  2
 8DE  Var_25    O14  C13  C15  C22   110.32  30.0  2
 8DE  Var_26    H2   N04  S05  C08    80.54  30.0  1
 8DE  Var_27    H5   C15  C13  N12    47.80  30.0  3
 8DE  Var_28    H2   N04  S05  O06  -164.29  30.0  1
 8DE  Var_29    H2   N04  S05  O07   -35.05  30.0  1
 8DE  Var_30    H5   C15  C13  O14  -133.16  30.0  3

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
 8DE  plan-1  C01  0.020
 8DE  plan-1  C03  0.020
 8DE  plan-1  C31  0.020
 8DE  plan-1  N04  0.020
 8DE  plan-1  N30  0.020
 8DE  plan-1  S02  0.020
 8DE  plan-1  H1   0.020
 8DE  plan-1  H18  0.020
 8DE  plan-2  C08  0.020
 8DE  plan-2  C09  0.020
 8DE  plan-2  C10  0.020
 8DE  plan-2  C11  0.020
 8DE  plan-2  C28  0.020
 8DE  plan-2  C29  0.020
 8DE  plan-2  N12  0.020
 8DE  plan-2  S05  0.020
 8DE  plan-2  H3   0.020
 8DE  plan-2  H4   0.020
 8DE  plan-2  H16  0.020
 8DE  plan-2  H17  0.020
 8DE  plan-3  C15  0.020
 8DE  plan-3  C16  0.020
 8DE  plan-3  C17  0.020
 8DE  plan-3  C18  0.020
 8DE  plan-3  C19  0.020
 8DE  plan-3  C20  0.020
 8DE  plan-3  C21  0.020
 8DE  plan-3  H6   0.020
 8DE  plan-3  H7   0.020
 8DE  plan-3  H8   0.020
 8DE  plan-3  H9   0.020
 8DE  plan-3  H10  0.020
 8DE  plan-4  C15  0.020
 8DE  plan-4  C22  0.020
 8DE  plan-4  C23  0.020
 8DE  plan-4  C24  0.020
 8DE  plan-4  C25  0.020
 8DE  plan-4  C26  0.020
 8DE  plan-4  C27  0.020
 8DE  plan-4  H11  0.020
 8DE  plan-4  H12  0.020
 8DE  plan-4  H13  0.020
 8DE  plan-4  H14  0.020
 8DE  plan-4  H15  0.020
 8DE  plan-5  C11  0.020
 8DE  plan-5  C13  0.020
 8DE  plan-5  C15  0.020
 8DE  plan-5  N12  0.020
 8DE  plan-5  O14  0.020
 8DE  plan-5  H19  0.020
 8DE  plan-6  C03  0.020
 8DE  plan-6  N04  0.020
 8DE  plan-6  S05  0.020
 8DE  plan-6  H2   0.020

