# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 25 06:05:18 2022
#   Inital geometry file: a 160 line input string
#   Ligand name: 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[S](=O)(=O)c1ccc(CNC(=O)c2sc3c(CCOC34CCN(CC4)Cc5ccccc5Cl)c2)cc1
#
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
 WB7  WB7  1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide  ligand  65  36  .  2022-08-11  2022-08-11
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_WB7
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
 WB7  O1   O   O     0  -0.476  -18.8980  12.3770  17.0361
 WB7  C7   C   C     0  -0.520  -19.5289  13.3668  23.0102
 WB7  O2   O   OS    0  -0.665  -24.5850  17.8545  14.6143
 WB7  C6   C   C     0  -0.203  -18.4760  12.8345  23.9691
 WB7  C1   C   CR6   0   0.192  -12.2052  10.2665  23.6304
 WB7  N1   N   NH1   0  -0.661  -21.0512  12.3839  17.7449
 WB7  C5   C   CR6   0   0.169  -16.7242  12.6095  22.3463
 WB7  C4   C   CH2   0  -0.437  -15.4919  13.4081  21.9163
 WB7  C3   C   CH2   0  -0.284  -14.3309  13.2294  22.8828
 WB7  C2   C   CH2   0  -0.345  -12.7918  11.6393  23.8161
 WB7  O3   O   OS    0  -0.664  -25.0704  16.3784  12.6395
 WB7  C18  C   CH3   0  -0.789  -22.7539  17.6314  12.7372
 WB7  C17  C   CR6   0  -0.217  -23.3784  15.5197  14.4605
 WB7  C16  C   CR16  0  -0.210  -22.7892  15.7103  15.7009
 WB7  C15  C   CR16  0  -0.284  -22.2126  14.6296  16.3544
 WB7  C19  C   CR16  0  -0.220  -23.4015  14.2634  13.8672
 WB7  C20  C   CR16  0  -0.269  -22.8285  13.1959  14.5328
 WB7  C14  C   CR6   0   0.089  -22.2306  13.3641  15.7812
 WB7  C13  C   CH2   0  -0.326  -21.6484  12.1466  16.4590
 WB7  C12  C   C     0   0.543  -19.7201  12.4620  17.9381
 WB7  C10  C   CR5   0  -0.295  -19.2768  12.6336  19.3332
 WB7  C11  C   CR15  0  -0.249  -19.9510  12.9948  20.4650
 WB7  C8   C   CR56  0   0.182  -19.1182  13.0286  21.6128
 WB7  O    O   O     0  -0.500  -17.1780  13.2028  23.5495
 WB7  S    S   S2    0   0.260  -17.6104  12.3454  19.6589
 WB7  C9   C   CR56  0  -0.226  -17.8255  12.6916  21.3241
 WB7  C21  C   CH2   0  -0.437  -16.2939  11.1516  22.5726
 WB7  C22  C   CH2   0  -0.278  -15.1086  11.0537  23.5186
 WB7  N    N   NT    0  -0.414  -13.9879  11.8268  23.0205
 WB7  C23  C   CR16  0  -0.316  -12.2302   9.3372  24.6667
 WB7  C24  C   CR16  0  -0.231  -11.7127   8.0587  24.5150
 WB7  C25  C   CR16  0  -0.276  -11.1525   7.6848  23.3029
 WB7  C26  C   CR16  0  -0.199  -11.1055   8.5916  22.2536
 WB7  C    C   CR6   0  -0.108  -11.6298   9.8635  22.4266
 WB7  CL   CL  CL    0  -0.133  -11.5244  10.9764  21.0978
 WB7  H1   H   H     0   0.254  -19.6376  14.4494  23.1226
 WB7  H2   H   H     0   0.253  -20.5000  12.9269  23.2473
 WB7  H3   H   H     0   0.244  -18.6081  13.2560  24.9658
 WB7  H4   H   H     0   0.216  -18.5753  11.7465  24.0602
 WB7  H5   H   HNH1  0   0.416  -21.6642  12.3861  18.5438
 WB7  H6   H   HCH2  0   0.234  -15.1742  13.0687  20.9267
 WB7  H7   H   HCH2  0   0.250  -15.7482  14.4662  21.8280
 WB7  H8   H   HCH2  0   0.239  -13.4628  13.7615  22.4860
 WB7  H9   H   HCH2  0   0.201  -14.5683  13.6949  23.8530
 WB7  H10  H   HCH2  0   0.252  -12.0576  12.3895  23.5106
 WB7  H11  H   HCH2  0   0.226  -12.9757  11.8056  24.8898
 WB7  H12  H   HCH3  0   0.294  -21.9947  17.9494  13.4485
 WB7  H13  H   HCH3  0   0.294  -22.3391  16.9070  12.0396
 WB7  H14  H   HCH3  0   0.307  -23.1433  18.4933  12.1953
 WB7  H15  H   HCR6  0   0.282  -22.7744  16.6869  16.1668
 WB7  H16  H   HCR6  0   0.261  -21.7551  14.7840  17.3230
 WB7  H17  H   HCR6  0   0.281  -23.8624  14.1113  12.9005
 WB7  H18  H   HCR6  0   0.265  -22.8515  12.2138  14.0756
 WB7  H19  H   HCH2  0   0.283  -22.4409  11.4052  16.5831
 WB7  H20  H   HCH2  0   0.277  -20.9059  11.6920  15.8027
 WB7  H21  H   HCR5  0   0.270  -21.0047  13.2418  20.4960
 WB7  H22  H   HCH2  0   0.250  -17.1259  10.5566  22.9556
 WB7  H23  H   HCH2  0   0.235  -16.0192  10.7128  21.6097
 WB7  H24  H   HCH2  0   0.197  -15.4032  11.3704  24.5336
 WB7  H25  H   HCH2  0   0.245  -14.8136  10.0050  23.5962
 WB7  H27  H   HCR6  0   0.259  -12.6717   9.6296  25.6121
 WB7  H28  H   HCR6  0   0.260  -11.7501   7.3587  25.3391
 WB7  H29  H   HCR6  0   0.264  -10.7469   6.6909  23.1681
 WB7  H30  H   HCR6  0   0.276  -10.6626   8.3104  21.3075
 WB7  S1   S   S     0   1.213  -24.1152  16.8954  13.6171

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
 WB7  O3   S1   double    1.461  0.020  1.461
 WB7  C19  C20  aromatic  1.382  0.020  1.382
 WB7  C19  C17  aromatic  1.390  0.020  1.390
 WB7  C18  S1   single    1.780  0.020  1.780
 WB7  S1   C17  single    1.774  0.020  1.774
 WB7  S1   O2   double    1.461  0.020  1.461
 WB7  C20  C14  aromatic  1.394  0.020  1.394
 WB7  C17  C16  aromatic  1.386  0.020  1.386
 WB7  C14  C13  single    1.510  0.020  1.510
 WB7  C14  C15  aromatic  1.389  0.020  1.389
 WB7  C16  C15  aromatic  1.388  0.020  1.388
 WB7  C13  N1   single    1.437  0.020  1.437
 WB7  O1   C12  double    1.223  0.020  1.223
 WB7  N1   C12  single    1.347  0.020  1.347
 WB7  C12  C10  single    1.474  0.020  1.474
 WB7  C10  S    aromatic  1.722  0.020  1.722
 WB7  C10  C11  aromatic  1.366  0.020  1.366
 WB7  S    C9   aromatic  1.714  0.020  1.714
 WB7  C11  C8   aromatic  1.419  0.020  1.419
 WB7  CL   C    single    1.737  0.020  1.737
 WB7  C9   C8   aromatic  1.367  0.020  1.367
 WB7  C9   C5   single    1.505  0.020  1.505
 WB7  C4   C5   single    1.530  0.020  1.530
 WB7  C4   C3   single    1.521  0.020  1.521
 WB7  C8   C7   single    1.495  0.020  1.495
 WB7  C5   C21  single    1.537  0.020  1.537
 WB7  C5   O    single    1.416  0.020  1.416
 WB7  C3   N    single    1.450  0.020  1.450
 WB7  C21  C22  single    1.520  0.020  1.520
 WB7  N    C2   single    1.449  0.020  1.449
 WB7  N    C22  single    1.450  0.020  1.450
 WB7  C    C26  aromatic  1.387  0.020  1.387
 WB7  C    C1   aromatic  1.394  0.020  1.394
 WB7  C2   C1   single    1.504  0.020  1.504
 WB7  C7   C6   single    1.520  0.020  1.520
 WB7  C26  C25  aromatic  1.388  0.020  1.388
 WB7  O    C6   single    1.413  0.020  1.413
 WB7  C1   C23  aromatic  1.392  0.020  1.392
 WB7  C25  C24  aromatic  1.387  0.020  1.387
 WB7  C23  C24  aromatic  1.388  0.020  1.388
 WB7  C7   H1   single    0.970  0.020  1.090
 WB7  C7   H2   single    0.970  0.020  1.090
 WB7  C6   H3   single    0.970  0.020  1.090
 WB7  C6   H4   single    0.970  0.020  1.090
 WB7  N1   H5   single    0.860  0.020  1.020
 WB7  C4   H6   single    0.970  0.020  1.090
 WB7  C4   H7   single    0.970  0.020  1.090
 WB7  C3   H8   single    0.970  0.020  1.090
 WB7  C3   H9   single    0.970  0.020  1.090
 WB7  C2   H10  single    0.970  0.020  1.090
 WB7  C2   H11  single    0.970  0.020  1.090
 WB7  C18  H12  single    0.970  0.020  1.090
 WB7  C18  H13  single    0.970  0.020  1.090
 WB7  C18  H14  single    0.970  0.020  1.090
 WB7  C16  H15  single    0.930  0.020  1.080
 WB7  C15  H16  single    0.930  0.020  1.080
 WB7  C19  H17  single    0.930  0.020  1.080
 WB7  C20  H18  single    0.930  0.020  1.080
 WB7  C13  H19  single    0.970  0.020  1.090
 WB7  C13  H20  single    0.970  0.020  1.090
 WB7  C11  H21  single    0.930  0.020  1.080
 WB7  C21  H22  single    0.970  0.020  1.090
 WB7  C21  H23  single    0.970  0.020  1.090
 WB7  C22  H24  single    0.970  0.020  1.090
 WB7  C22  H25  single    0.970  0.020  1.090
 WB7  C23  H27  single    0.930  0.020  1.080
 WB7  C24  H28  single    0.930  0.020  1.080
 WB7  C25  H29  single    0.930  0.020  1.080
 WB7  C26  H30  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
 WB7  H2   C7   H1   106.74  3.000
 WB7  H2   C7   C8   110.85  3.000
 WB7  H1   C7   C8   110.32  3.000
 WB7  H2   C7   C6   109.75  3.000
 WB7  H1   C7   C6   110.52  3.000
 WB7  C8   C7   C6   108.66  3.000
 WB7  H4   C6   H3   107.26  3.000
 WB7  H4   C6   O    111.51  3.000
 WB7  H3   C6   O    106.38  3.000
 WB7  H4   C6   C7   109.70  3.000
 WB7  H3   C6   C7   110.93  3.000
 WB7  O    C6   C7   110.96  3.000
 WB7  C    C1   C23  117.21  3.000
 WB7  C23  C1   C2   120.68  3.000
 WB7  C    C1   C2   122.10  3.000
 WB7  H5   N1   C12  119.17  3.000
 WB7  H5   N1   C13  117.21  3.000
 WB7  C12  N1   C13  123.25  3.000
 WB7  C21  C5   C9   110.90  3.000
 WB7  C21  C5   O    111.23  3.000
 WB7  C9   C5   O    108.65  3.000
 WB7  O    C5   C4   106.15  3.000
 WB7  C21  C5   C4   108.12  3.000
 WB7  C9   C5   C4   111.72  3.000
 WB7  H7   C4   H6   107.20  3.000
 WB7  H7   C4   C3   110.13  3.000
 WB7  H6   C4   C3   108.47  3.000
 WB7  H7   C4   C5   109.84  3.000
 WB7  H6   C4   C5   109.05  3.000
 WB7  C3   C4   C5   112.01  3.000
 WB7  H9   C3   H8   106.57  3.000
 WB7  H9   C3   N    112.08  3.000
 WB7  H8   C3   N    108.51  3.000
 WB7  H9   C3   C4   110.20  3.000
 WB7  H8   C3   C4   108.56  3.000
 WB7  N    C3   C4   110.75  3.000
 WB7  H11  C2   H10  106.30  3.000
 WB7  H11  C2   N    112.19  3.000
 WB7  H10  C2   N    108.19  3.000
 WB7  H11  C2   C1   108.85  3.000
 WB7  H10  C2   C1   109.26  3.000
 WB7  N    C2   C1   111.86  3.000
 WB7  H14  C18  H13  110.12  3.000
 WB7  H14  C18  H12  110.07  3.000
 WB7  H13  C18  H12  110.36  3.000
 WB7  H14  C18  S1   107.43  3.000
 WB7  H13  C18  S1   109.47  3.000
 WB7  H12  C18  S1   109.35  3.000
 WB7  C19  C17  C16  120.89  3.000
 WB7  C16  C17  S1   119.69  3.000
 WB7  C19  C17  S1   119.43  3.000
 WB7  H15  C16  C15  119.62  3.000
 WB7  H15  C16  C17  121.00  3.000
 WB7  C15  C16  C17  119.38  3.000
 WB7  H16  C15  C14  120.30  3.000
 WB7  H16  C15  C16  119.07  3.000
 WB7  C14  C15  C16  120.63  3.000
 WB7  H17  C19  C20  119.89  3.000
 WB7  H17  C19  C17  121.05  3.000
 WB7  C20  C19  C17  119.06  3.000
 WB7  H18  C20  C14  119.75  3.000
 WB7  H18  C20  C19  119.20  3.000
 WB7  C14  C20  C19  121.05  3.000
 WB7  C13  C14  C20  118.03  3.000
 WB7  C13  C14  C15  122.97  3.000
 WB7  C20  C14  C15  119.00  3.000
 WB7  H20  C13  H19  106.23  3.000
 WB7  H20  C13  C14  109.18  3.000
 WB7  H19  C13  C14  108.57  3.000
 WB7  H20  C13  N1   108.93  3.000
 WB7  H19  C13  N1   108.17  3.000
 WB7  C14  C13  N1   115.38  3.000
 WB7  C10  C12  N1   116.08  3.000
 WB7  C10  C12  O1   120.26  3.000
 WB7  N1   C12  O1   123.65  3.000
 WB7  S    C10  C11  111.42  3.000
 WB7  C11  C10  C12  131.81  3.000
 WB7  S    C10  C12  116.78  3.000
 WB7  H21  C11  C8   122.87  3.000
 WB7  H21  C11  C10  124.36  3.000
 WB7  C8   C11  C10  112.77  3.000
 WB7  C9   C8   C11  112.24  3.000
 WB7  C9   C8   C7   120.86  3.000
 WB7  C11  C8   C7   126.90  3.000
 WB7  C5   O    C6   115.94  3.000
 WB7  C9   S    C10   91.63  3.000
 WB7  S    C9   C8   111.94  3.000
 WB7  C8   C9   C5   124.21  3.000
 WB7  S    C9   C5   123.85  3.000
 WB7  H23  C21  H22  106.35  3.000
 WB7  H23  C21  C22  109.05  3.000
 WB7  H22  C21  C22  109.92  3.000
 WB7  H23  C21  C5   108.75  3.000
 WB7  H22  C21  C5   110.80  3.000
 WB7  C22  C21  C5   111.79  3.000
 WB7  H25  C22  H24  106.40  3.000
 WB7  H25  C22  N    109.13  3.000
 WB7  H24  C22  N    111.67  3.000
 WB7  H25  C22  C21  108.47  3.000
 WB7  H24  C22  C21  110.24  3.000
 WB7  N    C22  C21  110.77  3.000
 WB7  C22  N    C2   112.37  3.000
 WB7  C22  N    C3   111.44  3.000
 WB7  C2   N    C3   111.87  3.000
 WB7  H27  C23  C24  119.73  3.000
 WB7  H27  C23  C1   118.47  3.000
 WB7  C24  C23  C1   121.80  3.000
 WB7  H28  C24  C25  120.36  3.000
 WB7  H28  C24  C23  120.00  3.000
 WB7  C25  C24  C23  119.65  3.000
 WB7  H29  C25  C26  119.56  3.000
 WB7  H29  C25  C24  120.53  3.000
 WB7  C26  C25  C24  119.90  3.000
 WB7  H30  C26  C    120.16  3.000
 WB7  H30  C26  C25  120.35  3.000
 WB7  C    C26  C25  119.49  3.000
 WB7  CL   C    C26  118.00  3.000
 WB7  C26  C    C1   121.95  3.000
 WB7  CL   C    C1   120.04  3.000
 WB7  C17  S1   C18  103.77  3.000
 WB7  C17  S1   O3   108.37  3.000
 WB7  C18  S1   O3   108.39  3.000
 WB7  C17  S1   O2   108.55  3.000
 WB7  C18  S1   O2   108.17  3.000
 WB7  O3   S1   O2   118.59  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
 WB7  CONST_01  C25  C26  C    C1      0.00   0.0  0
 WB7  CONST_02  C25  C24  C23  C1      0.00   0.0  0
 WB7  CONST_03  C14  C20  C19  C17     0.00   0.0  0
 WB7  CONST_04  C14  C15  C16  C17     0.00   0.0  0
 WB7  CONST_05  C20  C19  C17  C16     0.00   0.0  0
 WB7  CONST_06  C20  C14  C15  C16     0.00   0.0  0
 WB7  CONST_07  C19  C20  C14  C15     0.00   0.0  0
 WB7  CONST_08  C19  C17  C16  C15     0.00   0.0  0
 WB7  CONST_09  C8   C9   S    C10     0.00   0.0  0
 WB7  CONST_10  C9   C8   C11  C10     0.00   0.0  0
 WB7  CONST_11  C9   S    C10  C11     0.00   0.0  0
 WB7  CONST_12  S    C9   C8   C11     0.00   0.0  0
 WB7  CONST_13  S    C10  C11  C8      0.00   0.0  0
 WB7  CONST_14  C26  C    C1   C23     0.00   0.0  0
 WB7  CONST_15  C26  C25  C24  C23     0.00   0.0  0
 WB7  CONST_16  C    C26  C25  C24     0.00   0.0  0
 WB7  CONST_17  C    C1   C23  C24     0.00   0.0  0
 WB7  CONST_18  C5   C9   C8   C7      0.00   0.0  0
 WB7  CONST_19  C10  S    C9   C5    180.00   0.0  0
 WB7  CONST_20  C11  C8   C9   C5    180.00   0.0  0
 WB7  CONST_21  C26  C    C1   C2    180.00   0.0  0
 WB7  CONST_22  C24  C23  C1   C2    180.00   0.0  0
 WB7  CONST_23  C20  C19  C17  S1    180.00   0.0  0
 WB7  CONST_24  C15  C16  C17  S1    180.00   0.0  0
 WB7  CONST_25  C13  C14  C15  C16   180.00   0.0  0
 WB7  CONST_26  C13  C14  C20  C19   180.00   0.0  0
 WB7  CONST_27  C9   S    C10  C12   180.00   0.0  0
 WB7  CONST_28  C8   C11  C10  C12   180.00   0.0  0
 WB7  CONST_29  CL   C    C1   C23   180.00   0.0  0
 WB7  CONST_30  CL   C    C26  C25   180.00   0.0  0
 WB7  CONST_31  H21  C11  C8   C7      0.00   0.0  0
 WB7  CONST_32  H30  C26  C    C1    180.00   0.0  0
 WB7  CONST_33  H28  C24  C23  C1    180.00   0.0  0
 WB7  CONST_34  H18  C20  C19  C17   180.00   0.0  0
 WB7  CONST_35  H16  C15  C16  C17   180.00   0.0  0
 WB7  CONST_36  H17  C19  C17  C16   180.00   0.0  0
 WB7  CONST_37  H15  C16  C17  C19   180.00   0.0  0
 WB7  CONST_38  H29  C25  C24  C23   180.00   0.0  0
 WB7  CONST_39  H27  C23  C24  C25   180.00   0.0  0
 WB7  CONST_40  C10  C12  N1   C13   180.00   0.0  0
 WB7  CONST_41  H5   N1   C12  C10     0.00   0.0  0
 WB7  CONST_42  C13  N1   C12  O1      0.00   0.0  0
 WB7  Var_01    C11  C8   C7   C6    161.02  30.0  1
 WB7  Var_02    C9   C5   O    C6     45.59  30.0  1
 WB7  Var_03    N    C3   C4   C5     56.87  30.0  1
 WB7  Var_04    N    C22  C21  C5    -57.09  30.0  1
 WB7  Var_05    S    C9   C5   C4     52.03  30.0  1
 WB7  Var_06    C22  C21  C5   C4     52.68  30.0  3
 WB7  Var_07    C22  N    C3   C4    -59.74  30.0  1
 WB7  Var_08    C21  C22  N    C3     59.97  30.0  1
 WB7  Var_09    O    C6   C7   C8     48.58  30.0  1
 WB7  Var_10    C3   N    C2   C1   -163.12  30.0  1
 WB7  Var_11    C    C1   C2   N      68.05  30.0  2
 WB7  Var_12    H3   C6   O    C5    171.91  30.0  1
 WB7  Var_13    S    C10  C12  O1    -13.63  30.0  2
 WB7  Var_14    C19  C17  S1   O2    151.15  30.0  2
 WB7  Var_15    C20  C14  C13  N1   -179.76  30.0  2
 WB7  Var_16    C12  N1   C13  C14  -102.50  30.0  3
 WB7  Var_17    H12  C18  S1   C17   -60.38  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
 WB7  plan-1  C17  0.020
 WB7  plan-1  C16  0.020
 WB7  plan-1  C15  0.020
 WB7  plan-1  C19  0.020
 WB7  plan-1  C20  0.020
 WB7  plan-1  C14  0.020
 WB7  plan-1  C13  0.020
 WB7  plan-1  H15  0.020
 WB7  plan-1  H16  0.020
 WB7  plan-1  H17  0.020
 WB7  plan-1  H18  0.020
 WB7  plan-1  S1   0.020
 WB7  plan-2  C7   0.020
 WB7  plan-2  C5   0.020
 WB7  plan-2  C12  0.020
 WB7  plan-2  C10  0.020
 WB7  plan-2  C11  0.020
 WB7  plan-2  C8   0.020
 WB7  plan-2  S    0.020
 WB7  plan-2  C9   0.020
 WB7  plan-2  H21  0.020
 WB7  plan-3  C1   0.020
 WB7  plan-3  C2   0.020
 WB7  plan-3  C23  0.020
 WB7  plan-3  C24  0.020
 WB7  plan-3  C25  0.020
 WB7  plan-3  C26  0.020
 WB7  plan-3  C    0.020
 WB7  plan-3  CL   0.020
 WB7  plan-3  H27  0.020
 WB7  plan-3  H28  0.020
 WB7  plan-3  H29  0.020
 WB7  plan-3  H30  0.020
 WB7  plan-4  O1   0.020
 WB7  plan-4  N1   0.020
 WB7  plan-4  C13  0.020
 WB7  plan-4  C12  0.020
 WB7  plan-4  C10  0.020
 WB7  plan-4  H5   0.020

