# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Mon May 25 23:00:23 2020
#   Inital geometry file: a 173 line input string
#   Ligand name: [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@@H](C[S](=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c2cccc(Cl)c2)c3ccc(Cl)cc3
#
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
 2SW  2SW  '[(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid'  ligand  71  37  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_2SW
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
 2SW  C17  C   CR16   0  -0.279  -3.8228   1.0621   0.8061
 2SW  C16  C   CR6    0  -0.023  -5.1479   0.6636   0.8467
 2SW  CL2  CL  CL     0  -0.132  -6.0064   0.7436   2.3529
 2SW  C15  C   CR16   0  -0.232  -5.8046   0.2035  -0.2847
 2SW  C14  C   CR16   0  -0.243  -5.1010   0.1474  -1.4780
 2SW  C13  C   CR16   0  -0.307  -3.7724   0.5449  -1.5326
 2SW  C6   C   CR6    0   0.208  -3.1195   1.0075  -0.3951
 2SW  C2   C   CH1    0  -0.401  -1.6692   1.4161  -0.4688
 2SW  C3   C   CH2    0  -0.394  -1.3811   2.7913   0.0999
 2SW  C4   C   CT     0  -0.244   0.0905   3.1670  -0.0862
 2SW  C21  C   CH2    0  -0.515   0.3941   3.3891  -1.5848
 2SW  C23  C   C      0   0.408   1.8827   3.4977  -1.9517
 2SW  O3   O   OC    -1  -0.591   2.3998   2.4724  -2.4365
 2SW  O2   O   O      0  -0.618   2.4495   4.5946  -1.7603
 2SW  C24  C   CH3    0  -0.639   0.3460   4.4671   0.6837
 2SW  C5   C   C      0   0.651   0.9859   2.0890   0.5313
 2SW  O1   O   O      0  -0.487   2.1048   2.3796   0.9170
 2SW  N1   N   NT     0  -0.501   0.4681   0.8424   0.7529
 2SW  C18  C   CH1    0  -0.091   1.1438  -0.0004   1.7465
 2SW  C19  C   CH2    0  -0.464   0.2074  -0.4126   2.8909
 2SW  C22  C   CH3    0  -0.671  -0.4704   0.7653   3.5722
 2SW  C20  C   CH2    0  -0.610   1.8284  -1.2604   1.2003
 2SW  C1   C   CH1    0  -0.131  -0.7885   0.3395   0.2058
 2SW  C7   C   CR6    0   0.115  -0.5784  -0.7847  -0.7854
 2SW  C8   C   CR16   0  -0.296  -1.3048  -1.9627  -0.6777
 2SW  C9   C   CR16   0  -0.205  -1.1449  -2.9896  -1.5995
 2SW  C10  C   CR6    0  -0.051  -0.2479  -2.8186  -2.6392
 2SW  CL1  CL  CL     0  -0.136  -0.0060  -4.1022  -3.7810
 2SW  C11  C   CR16   0  -0.204   0.4769  -1.6435  -2.7766
 2SW  C12  C   CR16   0  -0.292   0.3093  -0.6300  -1.8486
 2SW  S1   S   S      0   1.229   3.4301  -0.9313   0.4564
 2SW  O4   O   OS     0  -0.647   3.2638  -0.1703  -0.7794
 2SW  O5   O   OS     0  -0.695   4.2797  -0.3551   1.5068
 2SW  C25  C   CT     0  -0.265   4.1184  -2.5754   0.0180
 2SW  C26  C   CH3    0  -0.647   3.2209  -3.2284  -1.0266
 2SW  C27  C   CH3    0  -0.647   5.5021  -2.2818  -0.5616
 2SW  C28  C   CH3    0  -0.655   4.2326  -3.4376   1.2695
 2SW  H1   H   HCR6   0   0.267  -3.3456   1.4139   1.7117
 2SW  H2   H   HCR6   0   0.279  -6.8403  -0.1034  -0.2367
 2SW  H3   H   HCR6   0   0.267  -5.5951  -0.2106  -2.3714
 2SW  H4   H   HCR6   0   0.255  -3.2332   0.4935  -2.4705
 2SW  H5   H   HCH1   0   0.280  -1.4171   1.4403  -1.5302
 2SW  H6   H   HCH2   0   0.255  -2.0124   3.5329  -0.3966
 2SW  H7   H   HCH2   0   0.239  -1.6334   2.8346   1.1648
 2SW  H8   H   HCH2   0   0.221  -0.0341   2.5815  -2.1779
 2SW  H9   H   HCH2   0   0.219  -0.1334   4.3047  -1.8717
 2SW  H11  H   HCH3   0   0.217   0.1648   4.3411   1.7529
 2SW  H12  H   HCH3   0   0.247   1.3591   4.8285   0.5386
 2SW  H13  H   HCH3   0   0.219  -0.3385   5.2364   0.3208
 2SW  H14  H   HCH1   0   0.286   1.9135   0.6274   2.1917
 2SW  H15  H   HCH2   0   0.234  -0.5338  -1.1458   2.5603
 2SW  H16  H   HCH2   0   0.260   0.8226  -0.9383   3.6243
 2SW  H17  H   HCH3   0   0.232   0.2659   1.4594   3.9801
 2SW  H18  H   HCH3   0   0.222  -1.1101   1.3294   2.8925
 2SW  H19  H   HCH3   0   0.243  -1.0945   0.4215   4.3967
 2SW  H20  H   HCH2   0   0.304   2.0364  -1.9337   2.0324
 2SW  H21  H   HCH2   0   0.308   1.2149  -1.8015   0.4860
 2SW  H22  H   HCH1   0   0.267  -1.3645  -0.0535   1.0487
 2SW  H23  H   HCR6   0   0.257  -2.0043  -2.0967   0.1389
 2SW  H24  H   HCR6   0   0.277  -1.7079  -3.9078  -1.5000
 2SW  H25  H   HCR6   0   0.277   1.1792  -1.5255  -3.5909
 2SW  H26  H   HCR6   0   0.294   0.9035   0.2725  -1.9457
 2SW  H27  H   HCH3   0   0.255   3.1084  -2.6067  -1.9124
 2SW  H28  H   HCH3   0   0.257   3.6744  -4.1725  -1.3316
 2SW  H29  H   HCH3   0   0.243   2.2276  -3.4584  -0.6394
 2SW  H30  H   HCH3   0   0.250   6.1635  -1.8275   0.1754
 2SW  H31  H   HCH3   0   0.256   5.9524  -3.2236  -0.8765
 2SW  H32  H   HCH3   0   0.251   5.4513  -1.6335  -1.4358
 2SW  H33  H   HCH3   0   0.247   3.2588  -3.7236   1.6672
 2SW  H34  H   HCH3   0   0.258   4.7539  -4.3595   1.0080
 2SW  H35  H   HCH3   0   0.253   4.8033  -2.9449   2.0555

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
 2SW  C28  C25  single    1.524  0.020  1.524
 2SW  C26  C25  single    1.524  0.020  1.524
 2SW  C27  C25  single    1.529  0.020  1.529
 2SW  C25  S1   single    1.836  0.020  1.836
 2SW  O4   S1   double    1.461  0.020  1.461
 2SW  S1   C20  single    1.796  0.020  1.796
 2SW  S1   O5   double    1.469  0.020  1.469
 2SW  C20  C18  single    1.534  0.020  1.534
 2SW  C22  C19  single    1.520  0.020  1.520
 2SW  C18  C19  single    1.535  0.020  1.535
 2SW  C18  N1   single    1.468  0.020  1.468
 2SW  C11  C12  aromatic  1.384  0.020  1.384
 2SW  C11  C10  aromatic  1.388  0.020  1.388
 2SW  C12  C7   aromatic  1.394  0.020  1.394
 2SW  N1   C1   single    1.460  0.020  1.460
 2SW  N1   C5   single    1.368  0.020  1.368
 2SW  CL1  C10  single    1.735  0.020  1.735
 2SW  C10  C9   aromatic  1.384  0.020  1.384
 2SW  C7   C1   single    1.513  0.020  1.513
 2SW  C7   C8   aromatic  1.388  0.020  1.388
 2SW  O1   C5   double    1.219  0.020  1.219
 2SW  C1   C2   single    1.546  0.020  1.546
 2SW  C5   C4   single    1.531  0.020  1.531
 2SW  C9   C8   aromatic  1.389  0.020  1.389
 2SW  C13  C14  aromatic  1.388  0.020  1.388
 2SW  C13  C6   aromatic  1.391  0.020  1.391
 2SW  C24  C4   single    1.532  0.020  1.532
 2SW  C14  C15  aromatic  1.386  0.020  1.386
 2SW  C2   C3   single    1.516  0.020  1.516
 2SW  C2   C6   single    1.509  0.020  1.509
 2SW  C4   C3   single    1.530  0.020  1.530
 2SW  C4   C21  single    1.545  0.020  1.545
 2SW  C6   C17  aromatic  1.393  0.020  1.393
 2SW  C15  C16  aromatic  1.387  0.020  1.387
 2SW  C17  C16  aromatic  1.384  0.020  1.384
 2SW  C21  C23  single    1.537  0.020  1.537
 2SW  C16  CL2  single    1.735  0.020  1.735
 2SW  C23  O2   deloc     1.249  0.020  1.249
 2SW  C23  O3   deloc     1.246  0.020  1.246
 2SW  C17  H1   single    0.930  0.020  1.080
 2SW  C15  H2   single    0.930  0.020  1.080
 2SW  C14  H3   single    0.930  0.020  1.080
 2SW  C13  H4   single    0.930  0.020  1.080
 2SW  C2   H5   single    0.970  0.020  1.090
 2SW  C3   H6   single    0.970  0.020  1.090
 2SW  C3   H7   single    0.970  0.020  1.090
 2SW  C21  H8   single    0.970  0.020  1.090
 2SW  C21  H9   single    0.970  0.020  1.090
 2SW  C24  H11  single    0.970  0.020  1.090
 2SW  C24  H12  single    0.970  0.020  1.090
 2SW  C24  H13  single    0.970  0.020  1.090
 2SW  C18  H14  single    0.970  0.020  1.090
 2SW  C19  H15  single    0.970  0.020  1.090
 2SW  C19  H16  single    0.970  0.020  1.090
 2SW  C22  H17  single    0.970  0.020  1.090
 2SW  C22  H18  single    0.970  0.020  1.090
 2SW  C22  H19  single    0.970  0.020  1.090
 2SW  C20  H20  single    0.970  0.020  1.090
 2SW  C20  H21  single    0.970  0.020  1.090
 2SW  C1   H22  single    0.970  0.020  1.090
 2SW  C8   H23  single    0.930  0.020  1.080
 2SW  C9   H24  single    0.930  0.020  1.080
 2SW  C11  H25  single    0.930  0.020  1.080
 2SW  C12  H26  single    0.930  0.020  1.080
 2SW  C26  H27  single    0.970  0.020  1.090
 2SW  C26  H28  single    0.970  0.020  1.090
 2SW  C26  H29  single    0.970  0.020  1.090
 2SW  C27  H30  single    0.970  0.020  1.090
 2SW  C27  H31  single    0.970  0.020  1.090
 2SW  C27  H32  single    0.970  0.020  1.090
 2SW  C28  H33  single    0.970  0.020  1.090
 2SW  C28  H34  single    0.970  0.020  1.090
 2SW  C28  H35  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
 2SW  H1   C17  C6   120.77  3.000
 2SW  H1   C17  C16  119.40  3.000
 2SW  C6   C17  C16  119.82  3.000
 2SW  C15  C16  CL2  119.28  3.000
 2SW  CL2  C16  C17  119.06  3.000
 2SW  C15  C16  C17  121.66  3.000
 2SW  H2   C15  C14  120.85  3.000
 2SW  H2   C15  C16  120.77  3.000
 2SW  C14  C15  C16  118.38  3.000
 2SW  H3   C14  C13  119.96  3.000
 2SW  H3   C14  C15  119.50  3.000
 2SW  C13  C14  C15  120.54  3.000
 2SW  H4   C13  C6   119.37  3.000
 2SW  H4   C13  C14  119.80  3.000
 2SW  C6   C13  C14  120.83  3.000
 2SW  C2   C6   C13  120.09  3.000
 2SW  C2   C6   C17  121.12  3.000
 2SW  C13  C6   C17  118.77  3.000
 2SW  H5   C2   C1   107.96  3.000
 2SW  H5   C2   C3   107.51  3.000
 2SW  C1   C2   C3   111.09  3.000
 2SW  H5   C2   C6   106.00  3.000
 2SW  C3   C2   C6   114.21  3.000
 2SW  C1   C2   C6   109.74  3.000
 2SW  H7   C3   H6   106.36  3.000
 2SW  H7   C3   C4   109.28  3.000
 2SW  H6   C3   C4   109.48  3.000
 2SW  H7   C3   C2   110.91  3.000
 2SW  H6   C3   C2   109.59  3.000
 2SW  C4   C3   C2   111.10  3.000
 2SW  C5   C4   C24  107.29  3.000
 2SW  C24  C4   C21  109.43  3.000
 2SW  C5   C4   C21  112.17  3.000
 2SW  C21  C4   C3   110.01  3.000
 2SW  C24  C4   C3   107.92  3.000
 2SW  C5   C4   C3   109.90  3.000
 2SW  H9   C21  H8   106.73  3.000
 2SW  H9   C21  C23  110.18  3.000
 2SW  H8   C21  C23  107.64  3.000
 2SW  H9   C21  C4   106.24  3.000
 2SW  H8   C21  C4   110.13  3.000
 2SW  C23  C21  C4   115.60  3.000
 2SW  O2   C23  O3   126.41  3.000
 2SW  O3   C23  C21  115.89  3.000
 2SW  O2   C23  C21  117.70  3.000
 2SW  H13  C24  H12  107.82  3.000
 2SW  H13  C24  H11  107.63  3.000
 2SW  H12  C24  H11  108.92  3.000
 2SW  H13  C24  C4   109.04  3.000
 2SW  H12  C24  C4   111.78  3.000
 2SW  H11  C24  C4   111.49  3.000
 2SW  N1   C5   O1   120.90  3.000
 2SW  O1   C5   C4   119.78  3.000
 2SW  N1   C5   C4   119.04  3.000
 2SW  C1   N1   C18  116.89  3.000
 2SW  C1   N1   C5   125.38  3.000
 2SW  C18  N1   C5   117.30  3.000
 2SW  H14  C18  C20  107.68  3.000
 2SW  H14  C18  C19  106.33  3.000
 2SW  C20  C18  C19  108.48  3.000
 2SW  H14  C18  N1   105.74  3.000
 2SW  C19  C18  N1   112.21  3.000
 2SW  C20  C18  N1   115.85  3.000
 2SW  H16  C19  H15  105.19  3.000
 2SW  H16  C19  C22  108.86  3.000
 2SW  H15  C19  C22  110.66  3.000
 2SW  H16  C19  C18  106.63  3.000
 2SW  H15  C19  C18  111.59  3.000
 2SW  C22  C19  C18  113.45  3.000
 2SW  H19  C22  H18  107.38  3.000
 2SW  H19  C22  H17  107.72  3.000
 2SW  H18  C22  H17  107.44  3.000
 2SW  H19  C22  C19  110.49  3.000
 2SW  H18  C22  C19  112.52  3.000
 2SW  H17  C22  C19  111.08  3.000
 2SW  H21  C20  H20  107.58  3.000
 2SW  H21  C20  S1   108.82  3.000
 2SW  H20  C20  S1   105.01  3.000
 2SW  H21  C20  C18  113.03  3.000
 2SW  H20  C20  C18  108.69  3.000
 2SW  S1   C20  C18  113.25  3.000
 2SW  H22  C1   C7   108.11  3.000
 2SW  H22  C1   N1   106.75  3.000
 2SW  C7   C1   N1   112.44  3.000
 2SW  H22  C1   C2   106.65  3.000
 2SW  C7   C1   C2   108.10  3.000
 2SW  N1   C1   C2   114.46  3.000
 2SW  C12  C7   C8   119.13  3.000
 2SW  C8   C7   C1   120.45  3.000
 2SW  C12  C7   C1   120.37  3.000
 2SW  H23  C8   C9   118.88  3.000
 2SW  H23  C8   C7   120.09  3.000
 2SW  C9   C8   C7   121.04  3.000
 2SW  H24  C9   C10  120.75  3.000
 2SW  H24  C9   C8   120.44  3.000
 2SW  C10  C9   C8   118.81  3.000
 2SW  C11  C10  CL1  119.25  3.000
 2SW  CL1  C10  C9   119.57  3.000
 2SW  C11  C10  C9   121.17  3.000
 2SW  H25  C11  C12  120.22  3.000
 2SW  H25  C11  C10  120.40  3.000
 2SW  C12  C11  C10  119.37  3.000
 2SW  H26  C12  C11  118.86  3.000
 2SW  H26  C12  C7   120.63  3.000
 2SW  C11  C12  C7   120.48  3.000
 2SW  C25  S1   O5   107.77  3.000
 2SW  O5   S1   O4   117.81  3.000
 2SW  C25  S1   O4   107.89  3.000
 2SW  O5   S1   C20  106.94  3.000
 2SW  O4   S1   C20  110.14  3.000
 2SW  C25  S1   C20  105.62  3.000
 2SW  C28  C25  C27  110.62  3.000
 2SW  C27  C25  C26  110.82  3.000
 2SW  C28  C25  C26  111.38  3.000
 2SW  C27  C25  S1   104.95  3.000
 2SW  C26  C25  S1   109.06  3.000
 2SW  C28  C25  S1   109.80  3.000
 2SW  H29  C26  H28  107.18  3.000
 2SW  H29  C26  H27  108.38  3.000
 2SW  H28  C26  H27  108.05  3.000
 2SW  H29  C26  C25  112.54  3.000
 2SW  H28  C26  C25  108.52  3.000
 2SW  H27  C26  C25  111.96  3.000
 2SW  H32  C27  H31  107.55  3.000
 2SW  H32  C27  H30  108.84  3.000
 2SW  H31  C27  H30  107.75  3.000
 2SW  H32  C27  C25  112.10  3.000
 2SW  H31  C27  C25  108.51  3.000
 2SW  H30  C27  C25  111.91  3.000
 2SW  H35  C28  H34  107.75  3.000
 2SW  H35  C28  H33  108.87  3.000
 2SW  H34  C28  H33  107.01  3.000
 2SW  H35  C28  C25  112.09  3.000
 2SW  H34  C28  C25  108.49  3.000
 2SW  H33  C28  C25  112.40  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
 2SW  CONST_01  C14  C13  C6   C17    0.00   0.0  0
 2SW  CONST_02  C14  C15  C16  C17    0.00   0.0  0
 2SW  CONST_03  C13  C14  C15  C16    0.00   0.0  0
 2SW  CONST_04  C13  C6   C17  C16    0.00   0.0  0
 2SW  CONST_05  C6   C13  C14  C15    0.00   0.0  0
 2SW  CONST_06  C6   C17  C16  C15    0.00   0.0  0
 2SW  CONST_07  C10  C11  C12  C7     0.00   0.0  0
 2SW  CONST_08  C10  C9   C8   C7     0.00   0.0  0
 2SW  CONST_09  C11  C12  C7   C8     0.00   0.0  0
 2SW  CONST_10  C11  C10  C9   C8     0.00   0.0  0
 2SW  CONST_11  C12  C11  C10  C9     0.00   0.0  0
 2SW  CONST_12  C12  C7   C8   C9     0.00   0.0  0
 2SW  CONST_13  C2   C6   C17  C16  180.00   0.0  0
 2SW  CONST_14  C2   C6   C13  C14  180.00   0.0  0
 2SW  CONST_15  C11  C12  C7   C1   180.00   0.0  0
 2SW  CONST_16  C9   C8   C7   C1   180.00   0.0  0
 2SW  CONST_17  C1   N1   C5   C4     0.00   0.0  0
 2SW  CONST_18  C14  C15  C16  CL2  180.00   0.0  0
 2SW  CONST_19  C6   C17  C16  CL2  180.00   0.0  0
 2SW  CONST_20  CL1  C10  C9   C8   180.00   0.0  0
 2SW  CONST_21  C12  C11  C10  CL1  180.00   0.0  0
 2SW  CONST_23  C1   N1   C5   O1   180.00   0.0  0
 2SW  CONST_24  H4   C13  C6   C17  180.00   0.0  0
 2SW  CONST_25  H2   C15  C16  C17  180.00   0.0  0
 2SW  CONST_26  H3   C14  C15  C16  180.00   0.0  0
 2SW  CONST_27  H1   C17  C16  C15  180.00   0.0  0
 2SW  CONST_28  H26  C12  C7   C1     0.00   0.0  0
 2SW  CONST_29  H23  C8   C7   C1     0.00   0.0  0
 2SW  CONST_30  H25  C11  C12  C7   180.00   0.0  0
 2SW  CONST_31  H24  C9   C8   C7   180.00   0.0  0
 2SW  Var_01    O2   C23  C21  C4   -80.33  30.0  3
 2SW  Var_02    C25  S1   C20  C18  175.05  30.0  1
 2SW  Var_03    C28  C25  S1   C20  -58.90  30.0  2
 2SW  Var_04    H17  C22  C19  C18  -58.52  30.0  3
 2SW  Var_05    H33  C28  C25  S1    68.68  30.0  3
 2SW  Var_06    H27  C26  C25  S1    56.93  30.0  3
 2SW  Var_07    H30  C27  C25  S1    63.23  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
 2SW  chir_01  C2   C1  C3   C6   positiv
 2SW  chir_02  C4   C5  C3   C21  positiv
 2SW  chir_03  C18  N1  C19  C20  negativ
 2SW  chir_04  C1   N1  C2   C7   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
 2SW  plan-1  C17  0.020
 2SW  plan-1  C16  0.020
 2SW  plan-1  CL2  0.020
 2SW  plan-1  C15  0.020
 2SW  plan-1  C14  0.020
 2SW  plan-1  C13  0.020
 2SW  plan-1  C6   0.020
 2SW  plan-1  C2   0.020
 2SW  plan-1  H1   0.020
 2SW  plan-1  H2   0.020
 2SW  plan-1  H3   0.020
 2SW  plan-1  H4   0.020
 2SW  plan-2  C1   0.020
 2SW  plan-2  C7   0.020
 2SW  plan-2  C8   0.020
 2SW  plan-2  C9   0.020
 2SW  plan-2  C10  0.020
 2SW  plan-2  CL1  0.020
 2SW  plan-2  C11  0.020
 2SW  plan-2  C12  0.020
 2SW  plan-2  H23  0.020
 2SW  plan-2  H24  0.020
 2SW  plan-2  H25  0.020
 2SW  plan-2  H26  0.020
 2SW  plan-3  C21  0.020
 2SW  plan-3  C23  0.020
 2SW  plan-3  O3   0.020
 2SW  plan-3  O2   0.020
 2SW  plan-4  C4   0.020
 2SW  plan-4  C5   0.020
 2SW  plan-4  O1   0.020
 2SW  plan-4  N1   0.020
 2SW  plan-4  C18  0.020
 2SW  plan-4  C1   0.020

