# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Sun Jun 14 06:01:05 2020
#   Inital geometry file: a 163 line input string
#   Ligand name: (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCN(c1ccc2ccccc2c1)[S](=O)(=O)[C@@H]3C[C@@H]4O[C@H]3C(=C4c5ccc(O)cc5)c6ccc(O)cc6
#
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
 OB8  OB8  (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide  ligand  64  37  .  2022-07-22  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_OB8
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
 OB8  C01  C  CR16  0  -0.369  -3.2438   3.0715  -2.2889
 OB8  C02  C  CR6   0   0.348  -3.4157   3.8156  -1.1245
 OB8  C03  C  CR16  0  -0.319  -3.2394   3.1993   0.1145
 OB8  C04  C  CR16  0  -0.299  -2.9108   1.8586   0.1779
 OB8  C05  C  CR6   0   0.005  -2.7507   1.0911  -0.9797
 OB8  C06  C  CR16  0  -0.297  -2.9080   1.7298  -2.2099
 OB8  O01  O  OH1   0  -0.627  -3.7421   5.1205  -1.1368
 OB8  C07  C  C     0   0.093  -2.3904  -0.3231  -0.9161
 OB8  C08  C  C     0   0.113  -2.7592  -1.3145  -0.0853
 OB8  C09  C  CH1   0  -0.104  -1.7983  -2.4521  -0.3961
 OB8  C10  C  CR6   0   0.029  -3.7738  -1.3807   0.9571
 OB8  C11  C  CH1   0  -0.094  -1.2477  -0.9124  -1.7262
 OB8  C12  C  CR16  0  -0.304  -4.9416  -0.6155   0.8940
 OB8  C13  C  CR16  0  -0.368  -5.9106  -0.6977   1.8762
 OB8  C14  C  CR6   0   0.347  -5.7381  -1.5567   2.9615
 OB8  C15  C  CR16  0  -0.323  -4.5884  -2.3385   3.0351
 OB8  C16  C  CR16  0  -0.319  -3.6289  -2.2522   2.0407
 OB8  O02  O  OH1   0  -0.628  -6.6464  -1.6704   3.9482
 OB8  C17  C  CH1   0  -0.463  -0.0463  -0.8932  -0.7242
 OB8  C18  C  CH2   0  -0.440  -0.4163  -2.0694   0.1942
 OB8  S01  S  S     0   1.355   1.5025  -1.0917  -1.6120
 OB8  O03  O  O2    0  -0.448  -1.5673  -2.2792  -1.7827
 OB8  N01  N  N     0  -0.712   2.6857  -1.3717  -0.4680
 OB8  O04  O  OS    0  -0.636   1.3919  -2.2977  -2.4161
 OB8  O05  O  OS    0  -0.647   1.7835   0.1765  -2.2667
 OB8  C19  C  CR6   0   0.394   3.3865  -0.2873   0.1134
 OB8  C20  C  CH2   0  -0.339   3.2135  -2.7399  -0.3329
 OB8  C21  C  CH3   0  -0.671   4.1875  -3.1880  -1.4124
 OB8  C22  C  CR16  0  -0.294   2.6930   0.8665   0.5607
 OB8  C23  C  CR16  0  -0.307   3.3558   1.8966   1.1616
 OB8  C24  C  CR66  0   0.094   4.7511   1.8467   1.3777
 OB8  C25  C  CR66  0   0.152   5.4467   0.6872   0.9589
 OB8  C26  C  CR16  0  -0.397   4.7420  -0.3603   0.3240
 OB8  C27  C  CR16  0  -0.307   5.4631   2.8966   2.0004
 OB8  C28  C  CR16  0  -0.262   6.8148   2.8002   2.1931
 OB8  C29  C  CR16  0  -0.255   7.5108   1.6470   1.7729
 OB8  C30  C  CR16  0  -0.319   6.8439   0.6141   1.1718
 OB8  H1   H  HCR6  0   0.274  -3.3731   3.5369  -3.2593
 OB8  H2   H  HCR6  0   0.267  -3.3553   3.7767   1.0232
 OB8  H3   H  HCR6  0   0.257  -2.7661   1.4002   1.1480
 OB8  H4   H  HCR6  0   0.260  -2.7823   1.1717  -3.1297
 OB8  H5   H  HOH1  0   0.476  -3.8469   5.4329  -2.0426
 OB8  H6   H  HCH1  0   0.268  -2.1337  -3.4625  -0.1677
 OB8  H7   H  HCH1  0   0.286  -1.0627  -0.4858  -2.7114
 OB8  H8   H  HCR6  0   0.262  -5.1055   0.0498   0.0564
 OB8  H9   H  HCR6  0   0.274  -6.8084  -0.0953   1.7950
 OB8  H10  H  HCR6  0   0.266  -4.4487  -3.0149   3.8690
 OB8  H11  H  HCR6  0   0.253  -2.7457  -2.8734   2.1258
 OB8  H12  H  HOH1  0   0.476  -7.3953  -1.0861   3.7844
 OB8  H13  H  HCH1  0   0.339   0.0175   0.0613  -0.2034
 OB8  H14  H  HCH2  0   0.279  -0.4583  -1.7757   1.2407
 OB8  H15  H  HCH2  0   0.282   0.2677  -2.9140   0.1119
 OB8  H16  H  HCH2  0   0.270   3.6870  -2.7751   0.6477
 OB8  H17  H  HCH2  0   0.279   2.3776  -3.4360  -0.2832
 OB8  H18  H  HCH3  0   0.239   4.5991  -4.1592  -1.1363
 OB8  H19  H  HCH3  0   0.244   3.6964  -3.2941  -2.3760
 OB8  H20  H  HCH3  0   0.235   5.0220  -2.4998  -1.5362
 OB8  H21  H  HCR6  0   0.266   1.6210   0.9444   0.4634
 OB8  H22  H  HCR6  0   0.262   2.7991   2.7625   1.4984
 OB8  H23  H  HCR6  0   0.273   5.3118  -1.2231   0.0093
 OB8  H24  H  HCR6  0   0.257   4.9242   3.7786   2.3248
 OB8  H25  H  HCR6  0   0.259   7.3546   3.6085   2.6686
 OB8  H26  H  HCR6  0   0.259   8.5796   1.5817   1.9297
 OB8  H27  H  HCR6  0   0.256   7.3805  -0.2697   0.8483

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
 OB8  C28  C27  aromatic  1.369  0.020  1.369
 OB8  C28  C29  aromatic  1.411  0.020  1.411
 OB8  C27  C24  aromatic  1.413  0.020  1.413
 OB8  C29  C30  aromatic  1.369  0.020  1.369
 OB8  C24  C23  aromatic  1.413  0.020  1.413
 OB8  C24  C25  aromatic  1.416  0.020  1.416
 OB8  C30  C25  aromatic  1.415  0.020  1.415
 OB8  C23  C22  aromatic  1.364  0.020  1.364
 OB8  C25  C26  aromatic  1.413  0.020  1.413
 OB8  C22  C19  aromatic  1.419  0.020  1.419
 OB8  C26  C19  aromatic  1.374  0.020  1.374
 OB8  C19  N01  single    1.416  0.020  1.416
 OB8  O05  S01  double    1.455  0.020  1.455
 OB8  N01  S01  single    1.669  0.020  1.669
 OB8  N01  C20  single    1.473  0.020  1.473
 OB8  S01  O04  double    1.454  0.020  1.454
 OB8  S01  C17  single    1.796  0.020  1.796
 OB8  C20  C21  single    1.521  0.020  1.521
 OB8  C17  C18  single    1.537  0.020  1.537
 OB8  C17  C11  single    1.565  0.020  1.565
 OB8  C18  C09  single    1.551  0.020  1.551
 OB8  C11  O03  single    1.405  0.020  1.405
 OB8  C11  C07  single    1.520  0.020  1.520
 OB8  O03  C09  single    1.416  0.020  1.416
 OB8  C07  C05  single    1.461  0.020  1.461
 OB8  C07  C08  double    1.345  0.020  1.345
 OB8  C04  C05  aromatic  1.398  0.020  1.398
 OB8  C04  C03  aromatic  1.382  0.020  1.382
 OB8  C05  C06  aromatic  1.395  0.020  1.395
 OB8  C03  C02  aromatic  1.395  0.020  1.395
 OB8  C06  C01  aromatic  1.385  0.020  1.385
 OB8  C09  C08  single    1.521  0.020  1.521
 OB8  C02  C01  aromatic  1.393  0.020  1.393
 OB8  C02  O01  single    1.345  0.020  1.345
 OB8  C08  C10  single    1.456  0.020  1.456
 OB8  C10  C12  aromatic  1.398  0.020  1.398
 OB8  C10  C16  aromatic  1.398  0.020  1.398
 OB8  C12  C13  aromatic  1.382  0.020  1.382
 OB8  C16  C15  aromatic  1.384  0.020  1.384
 OB8  C13  C14  aromatic  1.395  0.020  1.395
 OB8  C15  C14  aromatic  1.392  0.020  1.392
 OB8  C14  O02  single    1.346  0.020  1.346
 OB8  C01  H1   single    0.930  0.020  1.080
 OB8  C03  H2   single    0.930  0.020  1.080
 OB8  C04  H3   single    0.930  0.020  1.080
 OB8  C06  H4   single    0.930  0.020  1.080
 OB8  O01  H5   single    0.850  0.020  0.980
 OB8  C09  H6   single    0.970  0.020  1.090
 OB8  C11  H7   single    0.970  0.020  1.090
 OB8  C12  H8   single    0.930  0.020  1.080
 OB8  C13  H9   single    0.930  0.020  1.080
 OB8  C15  H10  single    0.930  0.020  1.080
 OB8  C16  H11  single    0.930  0.020  1.080
 OB8  O02  H12  single    0.850  0.020  0.980
 OB8  C17  H13  single    0.970  0.020  1.090
 OB8  C18  H14  single    0.970  0.020  1.090
 OB8  C18  H15  single    0.970  0.020  1.090
 OB8  C20  H16  single    0.970  0.020  1.090
 OB8  C20  H17  single    0.970  0.020  1.090
 OB8  C21  H18  single    0.970  0.020  1.090
 OB8  C21  H19  single    0.970  0.020  1.090
 OB8  C21  H20  single    0.970  0.020  1.090
 OB8  C22  H21  single    0.930  0.020  1.080
 OB8  C23  H22  single    0.930  0.020  1.080
 OB8  C26  H23  single    0.930  0.020  1.080
 OB8  C27  H24  single    0.930  0.020  1.080
 OB8  C28  H25  single    0.930  0.020  1.080
 OB8  C29  H26  single    0.930  0.020  1.080
 OB8  C30  H27  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
 OB8  H1   C01  C06  119.72  3.000
 OB8  H1   C01  C02  120.29  3.000
 OB8  C06  C01  C02  119.98  3.000
 OB8  O01  C02  C03  117.87  3.000
 OB8  O01  C02  C01  122.73  3.000
 OB8  C03  C02  C01  119.41  3.000
 OB8  H2   C03  C04  120.29  3.000
 OB8  H2   C03  C02  119.75  3.000
 OB8  C04  C03  C02  119.96  3.000
 OB8  H3   C04  C05  119.62  3.000
 OB8  H3   C04  C03  118.92  3.000
 OB8  C05  C04  C03  121.45  3.000
 OB8  C07  C05  C06  120.63  3.000
 OB8  C06  C05  C04  117.77  3.000
 OB8  C07  C05  C04  121.57  3.000
 OB8  H4   C06  C05  119.99  3.000
 OB8  H4   C06  C01  118.61  3.000
 OB8  C05  C06  C01  121.40  3.000
 OB8  H5   O01  C02  110.45  3.000
 OB8  C11  C07  C08  104.46  3.000
 OB8  C08  C07  C05  132.29  3.000
 OB8  C11  C07  C05  122.52  3.000
 OB8  C10  C08  C09  123.53  3.000
 OB8  C10  C08  C07  131.81  3.000
 OB8  C09  C08  C07  104.59  3.000
 OB8  H6   C09  O03  111.65  3.000
 OB8  H6   C09  C18  115.07  3.000
 OB8  O03  C09  C18  101.37  3.000
 OB8  H6   C09  C08  117.16  3.000
 OB8  O03  C09  C08  102.22  3.000
 OB8  C18  C09  C08  107.49  3.000
 OB8  C16  C10  C12  117.57  3.000
 OB8  C16  C10  C08  120.73  3.000
 OB8  C12  C10  C08  121.67  3.000
 OB8  H7   C11  O03  112.53  3.000
 OB8  H7   C11  C17  116.36  3.000
 OB8  O03  C11  C17  102.26  3.000
 OB8  H7   C11  C07  117.26  3.000
 OB8  O03  C11  C07  103.16  3.000
 OB8  C17  C11  C07  103.37  3.000
 OB8  H8   C12  C13  118.71  3.000
 OB8  H8   C12  C10  119.87  3.000
 OB8  C13  C12  C10  121.41  3.000
 OB8  H9   C13  C14  120.19  3.000
 OB8  H9   C13  C12  119.63  3.000
 OB8  C14  C13  C12  120.18  3.000
 OB8  O02  C14  C15  118.10  3.000
 OB8  O02  C14  C13  122.62  3.000
 OB8  C15  C14  C13  119.28  3.000
 OB8  H10  C15  C16  120.18  3.000
 OB8  H10  C15  C14  119.87  3.000
 OB8  C16  C15  C14  119.95  3.000
 OB8  H11  C16  C15  118.23  3.000
 OB8  H11  C16  C10  120.19  3.000
 OB8  C15  C16  C10  121.58  3.000
 OB8  H12  O02  C14  110.40  3.000
 OB8  H13  C17  S01  106.42  3.000
 OB8  H13  C17  C18  113.51  3.000
 OB8  S01  C17  C18  114.72  3.000
 OB8  H13  C17  C11  111.22  3.000
 OB8  C18  C17  C11  100.86  3.000
 OB8  S01  C17  C11  110.14  3.000
 OB8  H15  C18  H14  107.82  3.000
 OB8  H15  C18  C17  113.37  3.000
 OB8  H14  C18  C17  112.17  3.000
 OB8  H15  C18  C09  109.84  3.000
 OB8  H14  C18  C09  113.48  3.000
 OB8  C17  C18  C09  100.13  3.000
 OB8  O05  S01  O04  119.27  3.000
 OB8  O04  S01  N01  107.09  3.000
 OB8  O05  S01  N01  108.53  3.000
 OB8  O04  S01  C17  107.42  3.000
 OB8  N01  S01  C17  106.91  3.000
 OB8  O05  S01  C17  107.02  3.000
 OB8  C11  O03  C09   96.69  3.000
 OB8  C20  N01  C19  119.76  3.000
 OB8  C20  N01  S01  118.21  3.000
 OB8  C19  N01  S01  120.25  3.000
 OB8  C26  C19  C22  118.51  3.000
 OB8  C26  C19  N01  120.71  3.000
 OB8  C22  C19  N01  120.69  3.000
 OB8  H17  C20  H16  105.78  3.000
 OB8  H17  C20  C21  109.60  3.000
 OB8  H16  C20  C21  110.54  3.000
 OB8  H17  C20  N01  108.84  3.000
 OB8  H16  C20  N01  105.57  3.000
 OB8  C21  C20  N01  115.98  3.000
 OB8  H20  C21  H19  107.89  3.000
 OB8  H20  C21  H18  107.61  3.000
 OB8  H19  C21  H18  107.95  3.000
 OB8  H20  C21  C20  112.65  3.000
 OB8  H19  C21  C20  111.63  3.000
 OB8  H18  C21  C20  108.92  3.000
 OB8  H21  C22  C23  117.89  3.000
 OB8  H21  C22  C19  121.06  3.000
 OB8  C23  C22  C19  121.03  3.000
 OB8  H22  C23  C24  119.23  3.000
 OB8  H22  C23  C22  119.39  3.000
 OB8  C24  C23  C22  121.36  3.000
 OB8  C27  C24  C25  119.43  3.000
 OB8  C25  C24  C23  117.97  3.000
 OB8  C27  C24  C23  122.60  3.000
 OB8  C30  C25  C26  121.44  3.000
 OB8  C26  C25  C24  119.67  3.000
 OB8  C30  C25  C24  118.88  3.000
 OB8  H23  C26  C25  117.37  3.000
 OB8  H23  C26  C19  121.19  3.000
 OB8  C25  C26  C19  121.44  3.000
 OB8  H24  C27  C28  120.43  3.000
 OB8  H24  C27  C24  119.09  3.000
 OB8  C28  C27  C24  120.48  3.000
 OB8  H25  C28  C29  119.69  3.000
 OB8  H25  C28  C27  120.13  3.000
 OB8  C29  C28  C27  120.18  3.000
 OB8  H26  C29  C30  119.96  3.000
 OB8  H26  C29  C28  119.56  3.000
 OB8  C30  C29  C28  120.48  3.000
 OB8  H27  C30  C29  120.36  3.000
 OB8  H27  C30  C25  119.09  3.000
 OB8  C29  C30  C25  120.55  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
 OB8  CONST_01  C04  C05  C06  C01     0.00   0.0  0
 OB8  CONST_02  C04  C03  C02  C01     0.00   0.0  0
 OB8  CONST_03  C05  C04  C03  C02     0.00   0.0  0
 OB8  CONST_04  C05  C06  C01  C02     0.00   0.0  0
 OB8  CONST_05  C06  C05  C04  C03     0.00   0.0  0
 OB8  CONST_06  C06  C01  C02  C03     0.00   0.0  0
 OB8  CONST_07  C14  C13  C12  C10     0.00   0.0  0
 OB8  CONST_08  C14  C15  C16  C10     0.00   0.0  0
 OB8  CONST_09  C15  C16  C10  C12     0.00   0.0  0
 OB8  CONST_10  C15  C14  C13  C12     0.00   0.0  0
 OB8  CONST_11  C16  C10  C12  C13     0.00   0.0  0
 OB8  CONST_12  C16  C15  C14  C13     0.00   0.0  0
 OB8  CONST_13  C24  C23  C22  C19     0.00   0.0  0
 OB8  CONST_14  C24  C25  C26  C19     0.00   0.0  0
 OB8  CONST_15  C30  C25  C26  C19   180.00   0.0  0
 OB8  CONST_16  C27  C24  C23  C22   180.00   0.0  0
 OB8  CONST_17  C25  C24  C23  C22     0.00   0.0  0
 OB8  CONST_18  C25  C26  C19  C22     0.00   0.0  0
 OB8  CONST_19  C28  C27  C24  C23   180.00   0.0  0
 OB8  CONST_20  C30  C25  C24  C23   180.00   0.0  0
 OB8  CONST_21  C26  C25  C24  C23     0.00   0.0  0
 OB8  CONST_22  C26  C19  C22  C23     0.00   0.0  0
 OB8  CONST_23  C29  C28  C27  C24     0.00   0.0  0
 OB8  CONST_24  C29  C30  C25  C24     0.00   0.0  0
 OB8  CONST_25  C28  C27  C24  C25     0.00   0.0  0
 OB8  CONST_26  C28  C29  C30  C25     0.00   0.0  0
 OB8  CONST_27  C27  C24  C25  C26   180.00   0.0  0
 OB8  CONST_28  C29  C30  C25  C26   180.00   0.0  0
 OB8  CONST_29  C30  C29  C28  C27     0.00   0.0  0
 OB8  CONST_30  C30  C25  C24  C27     0.00   0.0  0
 OB8  CONST_31  C07  C05  C06  C01   180.00   0.0  0
 OB8  CONST_32  C07  C05  C04  C03   180.00   0.0  0
 OB8  CONST_33  C13  C12  C10  C08   180.00   0.0  0
 OB8  CONST_34  C15  C16  C10  C08   180.00   0.0  0
 OB8  CONST_35  O01  C02  C03  C04   180.00   0.0  0
 OB8  CONST_36  O01  C02  C01  C06   180.00   0.0  0
 OB8  CONST_37  O02  C14  C13  C12   180.00   0.0  0
 OB8  CONST_38  O02  C14  C15  C16   180.00   0.0  0
 OB8  CONST_39  C23  C22  C19  N01   180.00   0.0  0
 OB8  CONST_40  C25  C26  C19  N01   180.00   0.0  0
 OB8  CONST_41  H2   C03  C02  C01   180.00   0.0  0
 OB8  CONST_42  H3   C04  C03  C02   180.00   0.0  0
 OB8  CONST_43  H4   C06  C01  C02   180.00   0.0  0
 OB8  CONST_44  H1   C01  C02  C03   180.00   0.0  0
 OB8  CONST_45  H8   C12  C10  C08     0.00   0.0  0
 OB8  CONST_46  H11  C16  C10  C08     0.00   0.0  0
 OB8  CONST_47  H9   C13  C12  C10   180.00   0.0  0
 OB8  CONST_48  H10  C15  C16  C10   180.00   0.0  0
 OB8  CONST_49  H22  C23  C22  C19   180.00   0.0  0
 OB8  CONST_50  H23  C26  C19  C22   180.00   0.0  0
 OB8  CONST_51  H24  C27  C24  C23     0.00   0.0  0
 OB8  CONST_52  H25  C28  C27  C24   180.00   0.0  0
 OB8  CONST_53  H21  C22  C23  C24   180.00   0.0  0
 OB8  CONST_54  H27  C30  C25  C24   180.00   0.0  0
 OB8  CONST_55  H26  C29  C30  C25   180.00   0.0  0
 OB8  Var_01    C11  C07  C05  C04  -129.70  30.0  2
 OB8  Var_02    C09  C08  C07  C05  -168.46  30.0  1
 OB8  Var_03    C12  C10  C08  C07    29.46  30.0  2
 OB8  Var_04    C19  N01  S01  C17   -89.49  30.0  2
 OB8  Var_05    C21  C20  N01  C19   -88.72  30.0  3
 OB8  Var_06    H18  C21  C20  N01   172.97  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
 OB8  chir_01  C09  C18  O03  C08  positiv
 OB8  chir_02  C11  O03  C17  C07  positiv
 OB8  chir_03  C17  S01  C11  C18  negativ

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
 OB8  plan-1  C01  0.020
 OB8  plan-1  C02  0.020
 OB8  plan-1  C03  0.020
 OB8  plan-1  C04  0.020
 OB8  plan-1  C05  0.020
 OB8  plan-1  C06  0.020
 OB8  plan-1  O01  0.020
 OB8  plan-1  C07  0.020
 OB8  plan-1  H1   0.020
 OB8  plan-1  H2   0.020
 OB8  plan-1  H3   0.020
 OB8  plan-1  H4   0.020
 OB8  plan-2  C08  0.020
 OB8  plan-2  C10  0.020
 OB8  plan-2  C12  0.020
 OB8  plan-2  C13  0.020
 OB8  plan-2  C14  0.020
 OB8  plan-2  C15  0.020
 OB8  plan-2  C16  0.020
 OB8  plan-2  O02  0.020
 OB8  plan-2  H8   0.020
 OB8  plan-2  H9   0.020
 OB8  plan-2  H10  0.020
 OB8  plan-2  H11  0.020
 OB8  plan-3  N01  0.020
 OB8  plan-3  C19  0.020
 OB8  plan-3  C22  0.020
 OB8  plan-3  C23  0.020
 OB8  plan-3  C24  0.020
 OB8  plan-3  C25  0.020
 OB8  plan-3  C26  0.020
 OB8  plan-3  C27  0.020
 OB8  plan-3  C28  0.020
 OB8  plan-3  C29  0.020
 OB8  plan-3  C30  0.020
 OB8  plan-3  H21  0.020
 OB8  plan-3  H22  0.020
 OB8  plan-3  H23  0.020
 OB8  plan-3  H24  0.020
 OB8  plan-3  H25  0.020
 OB8  plan-3  H26  0.020
 OB8  plan-3  H27  0.020
 OB8  plan-4  S01  0.020
 OB8  plan-4  N01  0.020
 OB8  plan-4  C19  0.020
 OB8  plan-4  C20  0.020

