# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri May  8 02:17:49 2020
#   Inital geometry file: a 169 line input string
#   Ligand name: (2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCC(CCC)(c1ccc(OC[C@@H](O)CO)cc1)c2ccc(OC[C@H](O)C(C)(C)C)cc2
#
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
 W12  W12  (2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol  ligand  75  33  .  2021-08-24  2021-08-24  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_W12
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
 W12  C4   C  CR6   0   0.367   3.6358  -0.5761   0.3564
 W12  C5   C  CR16  0  -0.338   2.6763  -0.3049   1.3357
 W12  C6   C  CR16  0  -0.273   1.7309   0.6773   1.1271
 W12  C7   C  CR6   0   0.166   1.6945   1.4366  -0.0479
 W12  C8   C  CR16  0  -0.326   2.6523   1.1490  -1.0084
 W12  C10  C  CT    0  -0.207   0.6321   2.5287  -0.1899
 W12  C13  C  CR6   0   0.168  -0.7342   1.8759   0.0282
 W12  C15  C  CR16  0  -0.337  -2.9005   1.6945   1.1092
 W12  C11  C  CH2   0  -0.426   0.9205   3.6119   0.8704
 W12  C20  C  CH1   0   0.043  -6.1174  -1.6346   0.3940
 W12  C21  C  CT    0  -0.134  -6.7026  -2.8274  -0.3992
 W12  C22  C  CH3   0  -0.652  -7.0259  -2.3895  -1.8311
 W12  C24  C  CH3   0  -0.670  -5.7340  -4.0135  -0.4376
 W12  C26  C  CH2   0  -0.425  -0.3650   4.2636  -1.8364
 W12  C28  C  CH3   0  -0.660  -0.3355   4.7499  -3.2794
 W12  C1   C  CH2   0  -0.164   7.5373  -3.2449  -0.7025
 W12  C2   C  CH1   0  -0.041   6.3714  -2.9887   0.2403
 W12  O02  O  OH1   0  -0.655   5.6184  -4.1477   0.5009
 W12  C3   C  CH2   0  -0.193   5.5163  -1.8605  -0.3128
 W12  O03  O  O2    0  -0.474   4.5224  -1.5525   0.6414
 W12  C9   C  CR16  0  -0.367   3.6153   0.1572  -0.8220
 W12  C25  C  CH2   0  -0.424   2.2519   4.3355   0.7059
 W12  C27  C  CH3   0  -0.661   2.5268   5.2813   1.8672
 W12  C12  C  CH2   0  -0.424   0.6485   3.1497  -1.6016
 W12  C18  C  CR16  0  -0.278  -1.0920   0.7778  -0.7495
 W12  C17  C  CR16  0  -0.371  -2.3174   0.1405  -0.6198
 W12  C14  C  CR16  0  -0.321  -1.6710   2.3185   0.9589
 W12  C16  C  CR6   0   0.367  -3.2376   0.5967   0.3226
 W12  O04  O  O2    0  -0.475  -4.4499   0.0459   0.5366
 W12  C19  C  CH2   0  -0.200  -4.7869  -1.1404  -0.1581
 W12  O05  O  OH1   0  -0.661  -6.0020  -1.8967   1.7749
 W12  C23  C  CH3   0  -0.633  -8.0091  -3.2702   0.2660
 W12  H1   H  HCR6  0   0.256   2.6771  -0.8759   2.2564
 W12  H2   H  HCR6  0   0.245   0.9915   0.8519   1.9001
 W12  H3   H  HCR6  0   0.253   2.6796   1.6963  -1.9407
 W12  H4   H  HCR6  0   0.255  -3.6053   2.0617   1.8453
 W12  H5   H  HCH2  0   0.230   0.1189   4.3558   0.8714
 W12  H6   H  HCH2  0   0.229   0.8948   3.1508   1.8633
 W12  H7   H  HCH1  0   0.232  -6.8408  -0.8140   0.3169
 W12  H8   H  HCH3  0   0.229  -6.1368  -2.1326  -2.4081
 W12  H9   H  HCH3  0   0.233  -7.5304  -3.1967  -2.3649
 W12  H10  H  HCH3  0   0.228  -7.6915  -1.5231  -1.8399
 W12  H11  H  HCH3  0   0.223  -5.4681  -4.3670   0.5616
 W12  H12  H  HCH3  0   0.239  -6.1925  -4.8561  -0.9576
 W12  H13  H  HCH3  0   0.232  -4.8078  -3.7749  -0.9633
 W12  H14  H  HCH2  0   0.218  -0.1613   5.1063  -1.1709
 W12  H15  H  HCH2  0   0.223  -1.3713   3.9160  -1.5877
 W12  H16  H  HCH3  0   0.216   0.6557   5.1177  -3.5518
 W12  H17  H  HCH3  0   0.217  -0.5888   3.9450  -3.9723
 W12  H18  H  HCH3  0   0.228  -1.0454   5.5614  -3.4428
 W12  H19  H  HOH1  0   0.456   9.0911  -4.3931  -0.7517
 W12  H21  H  HCH2  0   0.197   7.1487  -3.5626  -1.6814
 W12  H22  H  HCH1  0   0.238   6.7752  -2.6720   1.2081
 W12  H23  H  HOH1  0   0.444   5.2952  -4.5011  -0.3353
 W12  H24  H  HCH2  0   0.227   6.1447  -0.9847  -0.5121
 W12  H25  H  HCH2  0   0.224   5.0600  -2.1624  -1.2652
 W12  H26  H  HCR6  0   0.273   4.3350  -0.0177  -1.6102
 W12  H27  H  HCH2  0   0.223   3.0641   3.6079   0.6275
 W12  H28  H  HCH2  0   0.217   2.2588   4.9048  -0.2277
 W12  H29  H  HCH3  0   0.228   3.4788   5.7987   1.7432
 W12  H30  H  HCH3  0   0.217   1.7477   6.0412   1.9542
 W12  H31  H  HCH3  0   0.217   2.5654   4.7413   2.8150
 W12  H32  H  HCH2  0   0.230   1.6458   3.5440  -1.8184
 W12  H33  H  HCH2  0   0.228   0.4750   2.3589  -2.3392
 W12  H34  H  HCR6  0   0.246  -0.3940   0.3870  -1.4810
 W12  H35  H  HCR6  0   0.274  -2.5303  -0.7069  -1.2574
 W12  H36  H  HCR6  0   0.250  -1.4599   3.1648   1.5986
 W12  H37  H  HCH2  0   0.222  -4.0080  -1.8993  -0.0110
 W12  H38  H  HCH2  0   0.232  -4.8537  -0.9445  -1.2325
 W12  H39  H  HOH1  0   0.441  -5.3633  -2.6056   1.9070
 W12  H40  H  HCH3  0   0.222  -8.7340  -2.4534   0.3011
 W12  H41  H  HCH3  0   0.224  -8.4586  -4.0860  -0.3037
 W12  H42  H  HCH3  0   0.228  -7.8553  -3.6242   1.2851
 W12  H20  H  HCH2  0   0.203   8.0692  -2.2987  -0.8663
 W12  O01  O  OH1   0  -0.667   8.3740  -4.2221  -0.1350

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
 W12  C28  C26  single    1.523  0.020  1.523
 W12  C15  C14  aromatic  1.387  0.020  1.387
 W12  C15  C16  aromatic  1.392  0.020  1.392
 W12  C14  C13  aromatic  1.393  0.020  1.393
 W12  C12  C26  single    1.524  0.020  1.524
 W12  C12  C10  single    1.542  0.020  1.542
 W12  C27  C25  single    1.523  0.020  1.523
 W12  C11  C10  single    1.543  0.020  1.543
 W12  C11  C25  single    1.524  0.020  1.524
 W12  C10  C13  single    1.530  0.020  1.530
 W12  C10  C7   single    1.530  0.020  1.530
 W12  C13  C18  aromatic  1.392  0.020  1.392
 W12  O04  C16  single    1.349  0.020  1.349
 W12  O04  C19  single    1.415  0.020  1.415
 W12  C16  C17  aromatic  1.394  0.020  1.394
 W12  O05  C20  single    1.410  0.020  1.410
 W12  C20  C19  single    1.523  0.020  1.523
 W12  C20  C21  single    1.547  0.020  1.547
 W12  C18  C17  aromatic  1.387  0.020  1.387
 W12  C7   C8   aromatic  1.387  0.020  1.387
 W12  C7   C6   aromatic  1.399  0.020  1.399
 W12  C8   C9   aromatic  1.395  0.020  1.395
 W12  C22  C21  single    1.532  0.020  1.532
 W12  C6   C5   aromatic  1.379  0.020  1.379
 W12  C21  C24  single    1.532  0.020  1.532
 W12  C21  C23  single    1.532  0.020  1.532
 W12  C9   C4   aromatic  1.388  0.020  1.388
 W12  C5   C4   aromatic  1.398  0.020  1.398
 W12  C4   O03  single    1.349  0.020  1.349
 W12  O01  C1   single    1.406  0.020  1.406
 W12  C2   O02  single    1.406  0.020  1.406
 W12  C2   C1   single    1.521  0.020  1.521
 W12  C2   C3   single    1.520  0.020  1.520
 W12  O03  C3   single    1.412  0.020  1.412
 W12  C5   H1   single    0.930  0.020  1.080
 W12  C6   H2   single    0.930  0.020  1.080
 W12  C8   H3   single    0.930  0.020  1.080
 W12  C15  H4   single    0.930  0.020  1.080
 W12  C11  H5   single    0.970  0.020  1.090
 W12  C11  H6   single    0.970  0.020  1.090
 W12  C20  H7   single    0.970  0.020  1.090
 W12  C22  H8   single    0.970  0.020  1.090
 W12  C22  H9   single    0.970  0.020  1.090
 W12  C22  H10  single    0.970  0.020  1.090
 W12  C24  H11  single    0.970  0.020  1.090
 W12  C24  H12  single    0.970  0.020  1.090
 W12  C24  H13  single    0.970  0.020  1.090
 W12  C26  H14  single    0.970  0.020  1.090
 W12  C26  H15  single    0.970  0.020  1.090
 W12  C28  H16  single    0.970  0.020  1.090
 W12  C28  H17  single    0.970  0.020  1.090
 W12  C28  H18  single    0.970  0.020  1.090
 W12  O01  H19  single    0.850  0.020  0.980
 W12  C1   H20  single    0.970  0.020  1.090
 W12  C1   H21  single    0.970  0.020  1.090
 W12  C2   H22  single    0.970  0.020  1.090
 W12  O02  H23  single    0.850  0.020  0.980
 W12  C3   H24  single    0.970  0.020  1.090
 W12  C3   H25  single    0.970  0.020  1.090
 W12  C9   H26  single    0.930  0.020  1.080
 W12  C25  H27  single    0.970  0.020  1.090
 W12  C25  H28  single    0.970  0.020  1.090
 W12  C27  H29  single    0.970  0.020  1.090
 W12  C27  H30  single    0.970  0.020  1.090
 W12  C27  H31  single    0.970  0.020  1.090
 W12  C12  H32  single    0.970  0.020  1.090
 W12  C12  H33  single    0.970  0.020  1.090
 W12  C18  H34  single    0.930  0.020  1.080
 W12  C17  H35  single    0.930  0.020  1.080
 W12  C14  H36  single    0.930  0.020  1.080
 W12  C19  H37  single    0.970  0.020  1.090
 W12  C19  H38  single    0.970  0.020  1.090
 W12  O05  H39  single    0.850  0.020  0.980
 W12  C23  H40  single    0.970  0.020  1.090
 W12  C23  H41  single    0.970  0.020  1.090
 W12  C23  H42  single    0.970  0.020  1.090

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
 W12  C9   C4   O03  124.85  3.000
 W12  O03  C4   C5   116.33  3.000
 W12  C9   C4   C5   118.83  3.000
 W12  H1   C5   C6   120.29  3.000
 W12  H1   C5   C4   119.52  3.000
 W12  C6   C5   C4   120.19  3.000
 W12  H2   C6   C7   119.58  3.000
 W12  H2   C6   C5   118.33  3.000
 W12  C7   C6   C5   122.09  3.000
 W12  C10  C7   C8   124.28  3.000
 W12  C8   C7   C6   116.81  3.000
 W12  C10  C7   C6   118.90  3.000
 W12  H3   C8   C9   117.23  3.000
 W12  H3   C8   C7   120.64  3.000
 W12  C9   C8   C7   122.12  3.000
 W12  C12  C10  C11  110.14  3.000
 W12  C11  C10  C13  111.63  3.000
 W12  C12  C10  C13  108.17  3.000
 W12  C13  C10  C7   107.60  3.000
 W12  C11  C10  C7   107.91  3.000
 W12  C12  C10  C7   111.40  3.000
 W12  C14  C13  C18  116.81  3.000
 W12  C18  C13  C10  119.11  3.000
 W12  C14  C13  C10  124.08  3.000
 W12  H4   C15  C16  119.59  3.000
 W12  H4   C15  C14  119.87  3.000
 W12  C16  C15  C14  120.55  3.000
 W12  H6   C11  H5   105.57  3.000
 W12  H6   C11  C25  108.56  3.000
 W12  H5   C11  C25  108.51  3.000
 W12  H6   C11  C10  108.85  3.000
 W12  H5   C11  C10  109.95  3.000
 W12  C25  C11  C10  114.99  3.000
 W12  H7   C20  O05  105.19  3.000
 W12  H7   C20  C19  107.94  3.000
 W12  O05  C20  C19  110.11  3.000
 W12  H7   C20  C21  106.93  3.000
 W12  C19  C20  C21  113.25  3.000
 W12  O05  C20  C21  112.93  3.000
 W12  C23  C21  C24  109.05  3.000
 W12  C23  C21  C22  107.98  3.000
 W12  C24  C21  C22  109.35  3.000
 W12  C23  C21  C20  108.83  3.000
 W12  C24  C21  C20  111.75  3.000
 W12  C22  C21  C20  109.80  3.000
 W12  H10  C22  H9   107.52  3.000
 W12  H10  C22  H8   107.79  3.000
 W12  H9   C22  H8   107.00  3.000
 W12  H10  C22  C21  111.27  3.000
 W12  H9   C22  C21  110.08  3.000
 W12  H8   C22  C21  112.94  3.000
 W12  H13  C24  H12  107.21  3.000
 W12  H13  C24  H11  107.74  3.000
 W12  H12  C24  H11  106.75  3.000
 W12  H13  C24  C21  112.30  3.000
 W12  H12  C24  C21  110.13  3.000
 W12  H11  C24  C21  112.42  3.000
 W12  H15  C26  H14  106.15  3.000
 W12  H15  C26  C12  110.16  3.000
 W12  H14  C26  C12  110.22  3.000
 W12  H15  C26  C28  109.57  3.000
 W12  H14  C26  C28  109.10  3.000
 W12  C12  C26  C28  111.49  3.000
 W12  H18  C28  H17  107.60  3.000
 W12  H18  C28  H16  107.63  3.000
 W12  H17  C28  H16  107.50  3.000
 W12  H18  C28  C26  111.52  3.000
 W12  H17  C28  C26  111.18  3.000
 W12  H16  C28  C26  111.20  3.000
 W12  H21  C1   H20  106.70  3.000
 W12  H21  C1   C2   109.23  3.000
 W12  H20  C1   C2   108.58  3.000
 W12  H21  C1   O01  111.64  3.000
 W12  H20  C1   O01  111.77  3.000
 W12  C2   C1   O01  108.85  3.000
 W12  H22  C2   C3   108.32  3.000
 W12  H22  C2   O02  105.78  3.000
 W12  C3   C2   O02  112.21  3.000
 W12  H22  C2   C1   108.29  3.000
 W12  C3   C2   C1   109.31  3.000
 W12  O02  C2   C1   112.73  3.000
 W12  H23  O02  C2   108.72  3.000
 W12  H25  C3   H24  107.47  3.000
 W12  H25  C3   O03  110.71  3.000
 W12  H24  C3   O03  110.62  3.000
 W12  H25  C3   C2   110.20  3.000
 W12  H24  C3   C2   109.67  3.000
 W12  O03  C3   C2   108.18  3.000
 W12  C3   O03  C4   118.53  3.000
 W12  H26  C9   C8   118.49  3.000
 W12  H26  C9   C4   121.56  3.000
 W12  C8   C9   C4   119.95  3.000
 W12  H28  C25  H27  106.29  3.000
 W12  H28  C25  C27  109.06  3.000
 W12  H27  C25  C27  109.51  3.000
 W12  H28  C25  C11  110.17  3.000
 W12  H27  C25  C11  109.92  3.000
 W12  C27  C25  C11  111.73  3.000
 W12  H31  C27  H30  107.48  3.000
 W12  H31  C27  H29  107.61  3.000
 W12  H30  C27  H29  107.57  3.000
 W12  H31  C27  C25  111.18  3.000
 W12  H30  C27  C25  111.36  3.000
 W12  H29  C27  C25  111.45  3.000
 W12  H33  C12  H32  105.73  3.000
 W12  H33  C12  C26  108.57  3.000
 W12  H32  C12  C26  108.19  3.000
 W12  H33  C12  C10  108.91  3.000
 W12  H32  C12  C10  109.65  3.000
 W12  C26  C12  C10  115.35  3.000
 W12  H34  C18  C17  117.79  3.000
 W12  H34  C18  C13  119.72  3.000
 W12  C17  C18  C13  122.49  3.000
 W12  H35  C17  C16  121.66  3.000
 W12  H35  C17  C18  118.60  3.000
 W12  C16  C17  C18  119.73  3.000
 W12  H36  C14  C15  117.44  3.000
 W12  H36  C14  C13  120.84  3.000
 W12  C15  C14  C13  121.72  3.000
 W12  O04  C16  C17  124.55  3.000
 W12  C17  C16  C15  118.70  3.000
 W12  O04  C16  C15  116.75  3.000
 W12  C19  O04  C16  118.58  3.000
 W12  H38  C19  H37  107.38  3.000
 W12  H38  C19  O04  110.27  3.000
 W12  H37  C19  O04  110.17  3.000
 W12  H38  C19  C20  111.15  3.000
 W12  H37  C19  C20  110.31  3.000
 W12  O04  C19  C20  107.58  3.000
 W12  H39  O05  C20  108.99  3.000
 W12  H42  C23  H41  107.66  3.000
 W12  H42  C23  H40  107.85  3.000
 W12  H41  C23  H40  107.58  3.000
 W12  H42  C23  C21  112.32  3.000
 W12  H41  C23  C21  109.91  3.000
 W12  H40  C23  C21  111.33  3.000
 W12  H19  O01  C1   107.98  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
 W12  CONST_01  C7   C8   C9   C4      0.00   0.0  0
 W12  CONST_02  C7   C6   C5   C4      0.00   0.0  0
 W12  CONST_03  C8   C7   C6   C5      0.00   0.0  0
 W12  CONST_04  C8   C9   C4   C5      0.00   0.0  0
 W12  CONST_05  C9   C8   C7   C6      0.00   0.0  0
 W12  CONST_06  C9   C4   C5   C6      0.00   0.0  0
 W12  CONST_07  C16  C15  C14  C13     0.00   0.0  0
 W12  CONST_08  C16  C17  C18  C13     0.00   0.0  0
 W12  CONST_09  C18  C13  C14  C15     0.00   0.0  0
 W12  CONST_10  C18  C17  C16  C15     0.00   0.0  0
 W12  CONST_11  C14  C15  C16  C17     0.00   0.0  0
 W12  CONST_12  C14  C13  C18  C17     0.00   0.0  0
 W12  CONST_13  C10  C7   C6   C5    180.00   0.0  0
 W12  CONST_14  O03  C4   C5   C6    180.00   0.0  0
 W12  CONST_15  O03  C4   C9   C8    180.00   0.0  0
 W12  CONST_16  C15  C14  C13  C10   180.00   0.0  0
 W12  CONST_17  C17  C18  C13  C10   180.00   0.0  0
 W12  CONST_18  C9   C8   C7   C10   180.00   0.0  0
 W12  CONST_19  O04  C16  C17  C18   180.00   0.0  0
 W12  CONST_20  O04  C16  C15  C14   180.00   0.0  0
 W12  CONST_21  H3   C8   C9   C4    180.00   0.0  0
 W12  CONST_22  H2   C6   C5   C4    180.00   0.0  0
 W12  CONST_23  H26  C9   C4   C5    180.00   0.0  0
 W12  CONST_24  H1   C5   C6   C7    180.00   0.0  0
 W12  CONST_25  H4   C15  C14  C13   180.00   0.0  0
 W12  CONST_26  H35  C17  C18  C13   180.00   0.0  0
 W12  CONST_27  H36  C14  C13  C18   180.00   0.0  0
 W12  CONST_28  H34  C18  C13  C14   180.00   0.0  0
 W12  Var_01    C13  C10  C7   C6    -55.39  30.0  2
 W12  Var_02    C14  C13  C10  C7    125.85  30.0  2
 W12  Var_03    C9   C4   O03  C3      0.44  30.0  1
 W12  Var_04    C2   C3   O03  C4   -179.61  30.0  3
 W12  Var_05    C26  C12  C10  C7   -179.23  30.0  1
 W12  Var_06    C25  C11  C10  C7     63.30  30.0  1
 W12  Var_07    H37  C19  O04  C16    52.72  30.0  3
 W12  Var_08    C28  C26  C12  C10  -176.29  30.0  3
 W12  Var_09    C27  C25  C11  C10  -174.06  30.0  3
 W12  Var_10    H29  C27  C25  C11  -179.83  30.0  3
 W12  Var_11    H8   C22  C21  C20    66.13  30.0  3
 W12  Var_12    H11  C24  C21  C20    58.17  30.0  3
 W12  Var_13    H40  C23  C21  C20    58.61  30.0  3
 W12  Var_14    H16  C28  C26  C12   -58.64  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
 W12  chir_01  C20  O05  C19  C21  negativ
 W12  chir_02  C2   O02  C1   C3   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
 W12  plan-1  C4   0.020
 W12  plan-1  C5   0.020
 W12  plan-1  C6   0.020
 W12  plan-1  C7   0.020
 W12  plan-1  C8   0.020
 W12  plan-1  C10  0.020
 W12  plan-1  O03  0.020
 W12  plan-1  C9   0.020
 W12  plan-1  H1   0.020
 W12  plan-1  H2   0.020
 W12  plan-1  H3   0.020
 W12  plan-1  H26  0.020
 W12  plan-2  C10  0.020
 W12  plan-2  C13  0.020
 W12  plan-2  C15  0.020
 W12  plan-2  C18  0.020
 W12  plan-2  C17  0.020
 W12  plan-2  C14  0.020
 W12  plan-2  C16  0.020
 W12  plan-2  O04  0.020
 W12  plan-2  H4   0.020
 W12  plan-2  H34  0.020
 W12  plan-2  H35  0.020
 W12  plan-2  H36  0.020

