# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Sun May 24 19:02:21 2020
#   Inital geometry file: a 165 line input string
#   Ligand name: [(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)(C)[S](=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@H](CC(O)=O)C2=O)c3cccc(Cl)c3)c4ccc(Cl)cc4
#
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
 2TW  2TW  '[(2R,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid'  ligand  67  37  .  2022-09-22  2023-02-02
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_2TW
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
 2TW  C14  C   C1     0  -0.264   3.1867   0.8663  -1.0903
 2TW  C13  C   C      0  -0.022   3.9301   0.7993  -2.2589
 2TW  CL2  CL  CL     0  -0.129   5.6117   0.3865  -2.1658
 2TW  C12  C   C1     0  -0.224   3.3593   1.0579  -3.4935
 2TW  C11  C   C1     0  -0.247   2.0105   1.3855  -3.5485
 2TW  C10  C   C1     0  -0.287   1.2509   1.4505  -2.3915
 2TW  C9   C   C      0   0.117   1.8398   1.1930  -1.1563
 2TW  C8   C   CH1    0  -0.028   1.0121   1.2381   0.0990
 2TW  O1   O   O2     0  -0.478   0.2563   2.4133   0.0926
 2TW  C23  C   CH1    0  -0.101  -0.4793   2.5855   1.2815
 2TW  C25  C   CH2    0  -0.618   0.3909   2.9773   2.4702
 2TW  C26  C   C      0   0.424   1.1424   4.3058   2.2485
 2TW  O4   O   O      0  -0.608   0.5256   5.1993   1.6368
 2TW  O3   O   OC    -1  -0.611   2.2876   4.3837   2.7315
 2TW  C24  C   C      0   0.563  -1.3465   1.3848   1.6077
 2TW  O2   O   O      0  -0.502  -2.2967   1.5303   2.3645
 2TW  N1   N   NT     0  -0.486  -1.0402   0.1970   1.0448
 2TW  C15  C   CH1    0  -0.101  -2.0135  -0.9002   1.0879
 2TW  C16  C   CH1    0  -0.222  -2.2138  -1.5002   2.4604
 2TW  C22  C   CH2    0  -0.478  -1.3628  -2.6438   2.9149
 2TW  C27  C   CH2    0  -0.489  -2.7954  -2.8793   2.5506
 2TW  C17  C   CH2    0  -0.620  -3.3763  -0.5121   0.4975
 2TW  S1   S   S      0   1.235  -3.2261   0.1111  -1.1838
 2TW  O5   O   OS     0  -0.668  -2.7474   1.4966  -1.1296
 2TW  O6   O   OS     0  -0.681  -2.4193  -0.8512  -1.9470
 2TW  C18  C   CT     0  -0.265  -4.9171   0.1187  -1.8855
 2TW  C20  C   CH3    0  -0.659  -5.8277   0.9236  -0.9661
 2TW  C21  C   CH3    0  -0.646  -4.7817   0.8008  -3.2468
 2TW  C19  C   CH3    0  -0.645  -5.4006  -1.3170  -2.0483
 2TW  C7   C   CH1    0  -0.199   0.0998   0.0002   0.1511
 2TW  C5   C   CR6    0   0.145   0.9290  -1.1928   0.5586
 2TW  C4   C   CR16   0  -0.301   1.1819  -2.2141  -0.3468
 2TW  C3   C   CR16   0  -0.198   1.9766  -3.2986  -0.0010
 2TW  C2   C   CR6    0  -0.051   2.5228  -3.3496   1.2700
 2TW  CL1  CL  CL     0  -0.128   3.5194  -4.6953   1.7170
 2TW  C1   C   CR16   0  -0.200   2.2862  -2.3419   2.1941
 2TW  C6   C   CR16   0  -0.287   1.4879  -1.2709   1.8311
 2TW  H1   H   H      0   0.275   3.6527   0.6629  -0.1343
 2TW  H2   H   H      0   0.281   3.9508   1.0034  -4.3973
 2TW  H3   H   H      0   0.269   1.5534   1.5893  -4.5076
 2TW  H4   H   H      0   0.261   0.1973   1.6944  -2.4516
 2TW  H5   H   HCH1   0   0.256   1.6860   1.2191   0.9646
 2TW  H6   H   HCH1   0   0.272  -1.1714   3.4062   1.0833
 2TW  H7   H   HCH2   0   0.258  -0.2641   3.0973   3.3389
 2TW  H8   H   HCH2   0   0.229   1.0926   2.1822   2.7359
 2TW  H10  H   HCH1   0   0.284  -1.6053  -1.6876   0.4484
 2TW  H11  H   HCH1   0   0.271  -2.5311  -0.8029   3.2240
 2TW  H12  H   HCH2   0   0.249  -0.6084  -3.0244   2.2384
 2TW  H13  H   HCH2   0   0.253  -1.0770  -2.6779   3.9582
 2TW  H14  H   HCH2   0   0.256  -3.5141  -3.0778   3.3350
 2TW  H15  H   HCH2   0   0.248  -2.9907  -3.4082   1.6245
 2TW  H16  H   HCH2   0   0.313  -4.0044  -1.4031   0.4630
 2TW  H17  H   HCH2   0   0.314  -3.8835   0.2435   1.0926
 2TW  H18  H   HCH3   0   0.255  -5.4227   1.9123  -0.7523
 2TW  H19  H   HCH3   0   0.263  -6.7874   1.0622  -1.4650
 2TW  H20  H   HCH3   0   0.253  -6.0259   0.4136  -0.0236
 2TW  H21  H   HCH3   0   0.251  -4.0854   0.2763  -3.9015
 2TW  H22  H   HCH3   0   0.259  -5.7584   0.7944  -3.7317
 2TW  H23  H   HCH3   0   0.255  -4.4641   1.8382  -3.1542
 2TW  H24  H   HCH3   0   0.246  -5.4551  -1.8550  -1.1017
 2TW  H25  H   HCH3   0   0.258  -6.4091  -1.2959  -2.4630
 2TW  H26  H   HCH3   0   0.255  -4.7697  -1.8815  -2.7326
 2TW  H27  H   HCH1   0   0.286  -0.2877  -0.1826  -0.8555
 2TW  H28  H   HCR6   0   0.263   0.7546  -2.1705  -1.3413
 2TW  H29  H   HCR6   0   0.281   2.1640  -4.0882  -0.7157
 2TW  H30  H   HCR6   0   0.281   2.7126  -2.3931   3.1866
 2TW  H31  H   HCR6   0   0.264   1.2952  -0.4971   2.5651

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
 2TW  O4   C26  deloc     1.246  0.020  1.246
 2TW  C26  O3   deloc     1.245  0.020  1.245
 2TW  C26  C25  single    1.542  0.020  1.542
 2TW  CL2  C13  single    1.734  0.020  1.734
 2TW  C25  C23  single    1.524  0.020  1.524
 2TW  C13  C14  aromatic  1.387  0.020  1.387
 2TW  C13  C12  aromatic  1.384  0.020  1.384
 2TW  C14  C9   aromatic  1.388  0.020  1.388
 2TW  C12  C11  aromatic  1.389  0.020  1.389
 2TW  C9   C8   single    1.504  0.020  1.504
 2TW  C9   C10  aromatic  1.392  0.020  1.392
 2TW  O1   C23  single    1.409  0.020  1.409
 2TW  O1   C8   single    1.397  0.020  1.397
 2TW  C23  C24  single    1.517  0.020  1.517
 2TW  C8   C7   single    1.539  0.020  1.539
 2TW  C11  C10  aromatic  1.386  0.020  1.386
 2TW  C6   C1   aromatic  1.384  0.020  1.384
 2TW  C6   C5   aromatic  1.392  0.020  1.392
 2TW  C1   C2   aromatic  1.388  0.020  1.388
 2TW  C24  O2   double    1.224  0.020  1.224
 2TW  C24  N1   single    1.350  0.020  1.350
 2TW  C7   C5   single    1.509  0.020  1.509
 2TW  C7   N1   single    1.462  0.020  1.462
 2TW  C5   C4   aromatic  1.388  0.020  1.388
 2TW  C2   CL1  single    1.733  0.020  1.733
 2TW  C2   C3   aromatic  1.384  0.020  1.384
 2TW  N1   C15  single    1.467  0.020  1.467
 2TW  C22  C16  single    1.496  0.020  1.496
 2TW  C22  C27  single    1.497  0.020  1.497
 2TW  C16  C15  single    1.511  0.020  1.511
 2TW  C16  C27  single    1.499  0.020  1.499
 2TW  C4   C3   aromatic  1.388  0.020  1.388
 2TW  C15  C17  single    1.535  0.020  1.535
 2TW  O5   S1   double    1.467  0.020  1.467
 2TW  C17  S1   single    1.799  0.020  1.799
 2TW  S1   O6   double    1.469  0.020  1.469
 2TW  S1   C18  single    1.831  0.020  1.831
 2TW  C18  C20  single    1.524  0.020  1.524
 2TW  C18  C21  single    1.529  0.020  1.529
 2TW  C18  C19  single    1.524  0.020  1.524
 2TW  C14  H1   single    0.930  0.020  1.080
 2TW  C12  H2   single    0.930  0.020  1.080
 2TW  C11  H3   single    0.930  0.020  1.080
 2TW  C10  H4   single    0.930  0.020  1.080
 2TW  C8   H5   single    0.970  0.020  1.090
 2TW  C23  H6   single    0.970  0.020  1.090
 2TW  C25  H7   single    0.970  0.020  1.090
 2TW  C25  H8   single    0.970  0.020  1.090
 2TW  C15  H10  single    0.970  0.020  1.090
 2TW  C16  H11  single    0.970  0.020  1.090
 2TW  C22  H12  single    0.970  0.020  1.090
 2TW  C22  H13  single    0.970  0.020  1.090
 2TW  C27  H14  single    0.970  0.020  1.090
 2TW  C27  H15  single    0.970  0.020  1.090
 2TW  C17  H16  single    0.970  0.020  1.090
 2TW  C17  H17  single    0.970  0.020  1.090
 2TW  C20  H18  single    0.970  0.020  1.090
 2TW  C20  H19  single    0.970  0.020  1.090
 2TW  C20  H20  single    0.970  0.020  1.090
 2TW  C21  H21  single    0.970  0.020  1.090
 2TW  C21  H22  single    0.970  0.020  1.090
 2TW  C21  H23  single    0.970  0.020  1.090
 2TW  C19  H24  single    0.970  0.020  1.090
 2TW  C19  H25  single    0.970  0.020  1.090
 2TW  C19  H26  single    0.970  0.020  1.090
 2TW  C7   H27  single    0.970  0.020  1.090
 2TW  C4   H28  single    0.930  0.020  1.080
 2TW  C3   H29  single    0.930  0.020  1.080
 2TW  C1   H30  single    0.930  0.020  1.080
 2TW  C6   H31  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
 2TW  H1   C14  C9   120.27  3.000
 2TW  H1   C14  C13  120.29  3.000
 2TW  C9   C14  C13  119.45  3.000
 2TW  C12  C13  CL2  119.48  3.000
 2TW  C12  C13  C14  121.44  3.000
 2TW  CL2  C13  C14  119.08  3.000
 2TW  H2   C12  C11  120.66  3.000
 2TW  H2   C12  C13  120.69  3.000
 2TW  C11  C12  C13  118.66  3.000
 2TW  H3   C11  C10  119.99  3.000
 2TW  H3   C11  C12  119.32  3.000
 2TW  C10  C11  C12  120.68  3.000
 2TW  H4   C10  C9   120.15  3.000
 2TW  H4   C10  C11  119.83  3.000
 2TW  C9   C10  C11  120.02  3.000
 2TW  C8   C9   C10  120.14  3.000
 2TW  C10  C9   C14  119.75  3.000
 2TW  C8   C9   C14  120.10  3.000
 2TW  H5   C8   C7   108.88  3.000
 2TW  H5   C8   O1   110.51  3.000
 2TW  C7   C8   O1   110.86  3.000
 2TW  H5   C8   C9   108.66  3.000
 2TW  C7   C8   C9   109.30  3.000
 2TW  O1   C8   C9   108.60  3.000
 2TW  C23  O1   C8   112.42  3.000
 2TW  H6   C23  C24  105.77  3.000
 2TW  H6   C23  C25  108.07  3.000
 2TW  C24  C23  C25  111.24  3.000
 2TW  H6   C23  O1   105.65  3.000
 2TW  C24  C23  O1   112.54  3.000
 2TW  C25  C23  O1   113.04  3.000
 2TW  H8   C25  H7   105.72  3.000
 2TW  H8   C25  C26  110.41  3.000
 2TW  H7   C25  C26  108.14  3.000
 2TW  H8   C25  C23  111.65  3.000
 2TW  H7   C25  C23  107.78  3.000
 2TW  C26  C25  C23  112.79  3.000
 2TW  O3   C26  O4   126.92  3.000
 2TW  O3   C26  C25  116.50  3.000
 2TW  O4   C26  C25  116.55  3.000
 2TW  N1   C24  O2   122.62  3.000
 2TW  N1   C24  C23  118.51  3.000
 2TW  O2   C24  C23  118.87  3.000
 2TW  C7   N1   C15  115.76  3.000
 2TW  C15  N1   C24  119.68  3.000
 2TW  C7   N1   C24  123.40  3.000
 2TW  H10  C15  C17  106.77  3.000
 2TW  H10  C15  C16  107.14  3.000
 2TW  C17  C15  C16  109.39  3.000
 2TW  H10  C15  N1   105.88  3.000
 2TW  C17  C15  N1   112.87  3.000
 2TW  C16  C15  N1   114.30  3.000
 2TW  H11  C16  C27  115.89  3.000
 2TW  H11  C16  C22  116.43  3.000
 2TW  C27  C16  C22   59.95  3.000
 2TW  H11  C16  C15  115.09  3.000
 2TW  C27  C16  C15  118.11  3.000
 2TW  C22  C16  C15  120.26  3.000
 2TW  H13  C22  H12  114.04  3.000
 2TW  H13  C22  C27  118.84  3.000
 2TW  H12  C22  C27  117.37  3.000
 2TW  H13  C22  C16  117.84  3.000
 2TW  H12  C22  C16  118.38  3.000
 2TW  C27  C22  C16   60.13  3.000
 2TW  H15  C27  H14  114.20  3.000
 2TW  H15  C27  C22  117.20  3.000
 2TW  H14  C27  C22  119.21  3.000
 2TW  H15  C27  C16  117.85  3.000
 2TW  H14  C27  C16  118.03  3.000
 2TW  C22  C27  C16   59.92  3.000
 2TW  H17  C17  H16  108.45  3.000
 2TW  H17  C17  S1   108.03  3.000
 2TW  H16  C17  S1   107.55  3.000
 2TW  H17  C17  C15  112.29  3.000
 2TW  H16  C17  C15  108.48  3.000
 2TW  S1   C17  C15  111.89  3.000
 2TW  C18  S1   O6   108.11  3.000
 2TW  C18  S1   O5   108.16  3.000
 2TW  O6   S1   O5   117.29  3.000
 2TW  C18  S1   C17  106.40  3.000
 2TW  O6   S1   C17  107.71  3.000
 2TW  O5   S1   C17  108.65  3.000
 2TW  C19  C18  C21  110.69  3.000
 2TW  C19  C18  C20  111.88  3.000
 2TW  C21  C18  C20  110.76  3.000
 2TW  C19  C18  S1   109.28  3.000
 2TW  C21  C18  S1   105.15  3.000
 2TW  C20  C18  S1   108.84  3.000
 2TW  H20  C20  H19  107.16  3.000
 2TW  H20  C20  H18  108.82  3.000
 2TW  H19  C20  H18  107.55  3.000
 2TW  H20  C20  C18  112.54  3.000
 2TW  H19  C20  C18  108.48  3.000
 2TW  H18  C20  C18  112.06  3.000
 2TW  H23  C21  H22  107.74  3.000
 2TW  H23  C21  H21  108.85  3.000
 2TW  H22  C21  H21  107.59  3.000
 2TW  H23  C21  C18  112.04  3.000
 2TW  H22  C21  C18  108.30  3.000
 2TW  H21  C21  C18  112.13  3.000
 2TW  H26  C19  H25  107.87  3.000
 2TW  H26  C19  H24  108.59  3.000
 2TW  H25  C19  H24  107.07  3.000
 2TW  H26  C19  C18  111.83  3.000
 2TW  H25  C19  C18  108.41  3.000
 2TW  H24  C19  C18  112.84  3.000
 2TW  H27  C7   C5   108.11  3.000
 2TW  H27  C7   N1   107.99  3.000
 2TW  C5   C7   N1   111.71  3.000
 2TW  H27  C7   C8   108.26  3.000
 2TW  N1   C7   C8   112.01  3.000
 2TW  C5   C7   C8   108.63  3.000
 2TW  C6   C5   C4   118.81  3.000
 2TW  C4   C5   C7   120.38  3.000
 2TW  C6   C5   C7   120.78  3.000
 2TW  H28  C4   C3   119.07  3.000
 2TW  H28  C4   C5   119.82  3.000
 2TW  C3   C4   C5   121.10  3.000
 2TW  H29  C3   C2   120.76  3.000
 2TW  H29  C3   C4   120.33  3.000
 2TW  C2   C3   C4   118.91  3.000
 2TW  C1   C2   CL1  119.35  3.000
 2TW  CL1  C2   C3   119.49  3.000
 2TW  C1   C2   C3   121.16  3.000
 2TW  H30  C1   C6   120.31  3.000
 2TW  H30  C1   C2   120.64  3.000
 2TW  C6   C1   C2   119.05  3.000
 2TW  H31  C6   C1   118.52  3.000
 2TW  H31  C6   C5   120.51  3.000
 2TW  C1   C6   C5   120.97  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
 2TW  CONST_01  C11  C12  C13  C14     0.00   0.0  0
 2TW  CONST_02  C11  C10  C9   C14     0.00   0.0  0
 2TW  CONST_03  C10  C9   C14  C13     0.00   0.0  0
 2TW  CONST_04  C10  C11  C12  C13     0.00   0.0  0
 2TW  CONST_05  C9   C14  C13  C12     0.00   0.0  0
 2TW  CONST_06  C9   C10  C11  C12     0.00   0.0  0
 2TW  CONST_07  C2   C1   C6   C5      0.00   0.0  0
 2TW  CONST_08  C2   C3   C4   C5      0.00   0.0  0
 2TW  CONST_09  C1   C6   C5   C4      0.00   0.0  0
 2TW  CONST_10  C1   C2   C3   C4      0.00   0.0  0
 2TW  CONST_11  C6   C1   C2   C3      0.00   0.0  0
 2TW  CONST_12  C6   C5   C4   C3      0.00   0.0  0
 2TW  CONST_13  C8   C9   C14  C13   180.00   0.0  0
 2TW  CONST_14  C8   C9   C10  C11   180.00   0.0  0
 2TW  CONST_15  C1   C6   C5   C7    180.00   0.0  0
 2TW  CONST_16  C3   C4   C5   C7    180.00   0.0  0
 2TW  CONST_17  C7   N1   C24  C23     0.00   0.0  0
 2TW  CONST_18  C9   C14  C13  CL2   180.00   0.0  0
 2TW  CONST_19  C11  C12  C13  CL2   180.00   0.0  0
 2TW  CONST_20  CL1  C2   C3   C4    180.00   0.0  0
 2TW  CONST_21  C6   C1   C2   CL1   180.00   0.0  0
 2TW  CONST_22  C15  N1   C24  C23   180.00   0.0  0
 2TW  CONST_23  C7   N1   C24  O2    180.00   0.0  0
 2TW  CONST_24  H2   C12  C13  C14   180.00   0.0  0
 2TW  CONST_25  H4   C10  C9   C14   180.00   0.0  0
 2TW  CONST_26  H3   C11  C12  C13   180.00   0.0  0
 2TW  CONST_27  H1   C14  C13  C12   180.00   0.0  0
 2TW  CONST_28  H31  C6   C5   C7      0.00   0.0  0
 2TW  CONST_29  H28  C4   C5   C7      0.00   0.0  0
 2TW  CONST_30  H30  C1   C6   C5    180.00   0.0  0
 2TW  CONST_31  H29  C3   C4   C5    180.00   0.0  0
 2TW  CONST_32  C15  N1   C24  O2      0.00   0.0  0
 2TW  Var_01    C27  C22  C16  C15  -107.02  30.0  1
 2TW  Var_02    H14  C27  C22  C16  -107.35  30.0  1
 2TW  Var_03    O4   C26  C25  C23    37.51  30.0  3
 2TW  Var_04    O5   S1   C17  C15   -77.89  30.0  3
 2TW  Var_05    C20  C18  S1   C17    54.92  30.0  3
 2TW  Var_06    H18  C20  C18  S1     52.33  30.0  3
 2TW  Var_07    H21  C21  C18  S1     59.02  30.0  3
 2TW  Var_08    H24  C19  C18  S1     61.37  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
 2TW  chir_01  C8   C9   O1   C7   negativ
 2TW  chir_02  C23  O1   C24  C25  negativ
 2TW  chir_03  C15  N1   C16  C17  negativ
 2TW  chir_05  C7   C8   C5   N1   negativ
 2TW  chir_06  C16  C22  C15  C27  both

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
 2TW  plan-1  C14  0.020
 2TW  plan-1  C13  0.020
 2TW  plan-1  CL2  0.020
 2TW  plan-1  C12  0.020
 2TW  plan-1  C11  0.020
 2TW  plan-1  C10  0.020
 2TW  plan-1  C9   0.020
 2TW  plan-1  C8   0.020
 2TW  plan-1  H1   0.020
 2TW  plan-1  H2   0.020
 2TW  plan-1  H3   0.020
 2TW  plan-1  H4   0.020
 2TW  plan-2  C23  0.020
 2TW  plan-2  C24  0.020
 2TW  plan-2  O2   0.020
 2TW  plan-2  N1   0.020
 2TW  plan-2  C15  0.020
 2TW  plan-2  C7   0.020
 2TW  plan-3  C7   0.020
 2TW  plan-3  C5   0.020
 2TW  plan-3  C4   0.020
 2TW  plan-3  C3   0.020
 2TW  plan-3  C2   0.020
 2TW  plan-3  CL1  0.020
 2TW  plan-3  C1   0.020
 2TW  plan-3  C6   0.020
 2TW  plan-3  H28  0.020
 2TW  plan-3  H29  0.020
 2TW  plan-3  H30  0.020
 2TW  plan-3  H31  0.020
 2TW  plan-4  C25  0.020
 2TW  plan-4  C26  0.020
 2TW  plan-4  O4   0.020
 2TW  plan-4  O3   0.020

