# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Thu May 21 23:08:38 2020
#   Inital geometry file: a 162 line input string
#   Ligand name: (1S,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)(C)c1cccc(CN[C@H]2C[S@@](=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1
#
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
 1YU  1YU  '(1S,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide'  ligand  70  39  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_1YU
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
 1YU  F1   F  F     0  -0.293  -6.2228   2.9748  -0.2185
 1YU  C2   C  CT    0   0.999  -5.0023   2.6165  -0.6121
 1YU  F3   F  F     0  -0.292  -4.6943   3.3291  -1.6943
 1YU  F4   F  F     0  -0.296  -4.1517   2.9597   0.3561
 1YU  C5   C  CH1   0  -0.373  -4.8956   1.1133  -0.8719
 1YU  O7   O  O2    0  -0.513  -5.2821   0.4786   0.3116
 1YU  C8   C  CR6   0   0.337  -4.4964  -0.5465   0.7862
 1YU  C9   C  CR6   0   0.052  -5.1481  -1.7640   1.0125
 1YU  C10  C  CR6   0   0.517  -4.3460  -2.7739   1.5383
 1YU  C11  C  CR16  0  -0.486  -3.0052  -2.6215   1.8120
 1YU  C13  C  CR6   0   0.120  -2.3847  -1.3985   1.5821
 1YU  C14  C  CR16  0  -0.399  -3.1557  -0.3582   1.0734
 1YU  C16  C  CH2   0  -0.490  -0.9254  -1.2006   1.8792
 1YU  C19  C  CH1   0  -0.301  -0.0722  -0.9557   0.6242
 1YU  C21  C  CH1   0   0.119   1.3910  -0.7313   1.0009
 1YU  C23  C  CH1   0  -0.131   2.2759  -0.4407  -0.2189
 1YU  C25  C  CH2   0  -0.630   2.2717  -1.5963  -1.2165
 1YU  S28  S  S3    0   0.750   0.6176  -1.8217  -1.9203
 1YU  C29  C  CH2   0  -0.611  -0.2080  -2.1316  -0.3377
 1YU  O32  O  O     0  -0.784   0.6238  -3.1268  -2.6822
 1YU  N33  N  NH1   0  -0.613   3.5954  -0.0986   0.2767
 1YU  C35  C  CH2   0  -0.336   4.4486   0.6356  -0.6428
 1YU  C38  C  CR6   0   0.123   5.7073   1.0728   0.0568
 1YU  C39  C  CR16  0  -0.382   6.9461   0.5983  -0.3472
 1YU  C41  C  CR6   0   0.218   8.1335   0.9675   0.2952
 1YU  C42  C  CR16  0  -0.354   8.0339   1.8428   1.3710
 1YU  C44  C  CR16  0  -0.220   6.7971   2.3284   1.7891
 1YU  C46  C  CR16  0  -0.313   5.6372   1.9452   1.1426
 1YU  C48  C  CT    0  -0.171   9.4636   0.4010  -0.1913
 1YU  C49  C  CH3   0  -0.666  10.6459   0.9052   0.6365
 1YU  C53  C  CH3   0  -0.632   9.4257  -1.1302  -0.0958
 1YU  C57  C  CH3   0  -0.630   9.6903   0.8153  -1.6516
 1YU  O61  O  OH1   0  -0.679   1.4849   0.3440   1.8959
 1YU  F63  F  F     0  -0.322  -4.9325  -3.9636   1.7758
 1YU  N64  N  NH2   0  -0.839  -6.4709  -1.9721   0.6922
 1YU  C67  C  CT    0   1.027  -5.7911   0.5991  -2.0032
 1YU  F68  F  F     0  -0.294  -7.0855   0.7900  -1.7521
 1YU  F69  F  F     0  -0.293  -5.5081   1.1837  -3.1667
 1YU  F70  F  F     0  -0.295  -5.6003  -0.7125  -2.1502
 1YU  H1   H  HCH1  0   0.336  -3.8568   0.8977  -1.1526
 1YU  H2   H  HCR6  0   0.273  -2.4495  -3.4590   2.2154
 1YU  H3   H  HCR6  0   0.270  -2.7080   0.6166   0.9148
 1YU  H4   H  HCH2  0   0.270  -0.8042  -0.3517   2.5539
 1YU  H5   H  HCH2  0   0.248  -0.5376  -2.0775   2.4052
 1YU  H6   H  HCH1  0   0.255  -0.4380  -0.0483   0.1273
 1YU  H7   H  HCH1  0   0.194   1.7618  -1.6625   1.4669
 1YU  H8   H  HCH1  0   0.257   1.8812   0.4559  -0.7135
 1YU  H9   H  HCH2  0   0.306   2.9385  -1.3996  -2.0584
 1YU  H10  H  HCH2  0   0.288   2.5651  -2.5421  -0.7517
 1YU  H11  H  HCH2  0   0.288   0.2116  -3.0539   0.0761
 1YU  H12  H  HCH2  0   0.306  -1.2545  -2.3178  -0.5868
 1YU  H14  H  HNH1  0   0.359   4.0757  -0.9293   0.6072
 1YU  H16  H  HCH2  0   0.225   4.7124   0.0639  -1.5425
 1YU  H17  H  HCH2  0   0.248   3.8909   1.5125  -0.9832
 1YU  H18  H  HCR6  0   0.240   6.9785  -0.0857  -1.1884
 1YU  H19  H  HCR6  0   0.249   8.9189   2.1614   1.9048
 1YU  H20  H  HCR6  0   0.250   6.7491   3.0105   2.6285
 1YU  H21  H  HCR6  0   0.244   4.6762   2.3206   1.4735
 1YU  H22  H  HCH3  0   0.230  10.5608   0.6259   1.6880
 1YU  H23  H  HCH3  0   0.237  11.5708   0.4682   0.2568
 1YU  H24  H  HCH3  0   0.230  10.7509   1.9905   0.5816
 1YU  H25  H  HCH3  0   0.227   8.6468  -1.5592  -0.7272
 1YU  H26  H  HCH3  0   0.227  10.3798  -1.5549  -0.4161
 1YU  H27  H  HCH3  0   0.228   9.2420  -1.4571   0.9295
 1YU  H28  H  HCH3  0   0.228   9.7325   1.9016  -1.7498
 1YU  H29  H  HCH3  0   0.226  10.6351   0.4091  -2.0190
 1YU  H30  H  HCH3  0   0.227   8.9000   0.4505  -2.3091
 1YU  H31  H  HOH1  0   0.443   2.4115   0.6285   1.8400
 1YU  H32  H  HNH2  0   0.381  -7.0393  -1.1423   0.6489
 1YU  H33  H  HNH2  0   0.385  -6.9323  -2.7013   1.2119

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
 1YU  C53  C48  single    1.535  0.020  1.535
 1YU  C49  C48  single    1.529  0.020  1.529
 1YU  C48  C41  single    1.525  0.020  1.525
 1YU  C48  C57  single    1.535  0.020  1.535
 1YU  C42  C41  aromatic  1.390  0.020  1.390
 1YU  C42  C44  aromatic  1.393  0.020  1.393
 1YU  C41  C39  aromatic  1.400  0.020  1.400
 1YU  C44  C46  aromatic  1.382  0.020  1.382
 1YU  C39  C38  aromatic  1.387  0.020  1.387
 1YU  C46  C38  aromatic  1.395  0.020  1.395
 1YU  C38  C35  single    1.505  0.020  1.505
 1YU  C35  N33  single    1.453  0.020  1.453
 1YU  N33  C23  single    1.450  0.020  1.450
 1YU  O61  C21  single    1.402  0.020  1.402
 1YU  C23  C25  single    1.527  0.020  1.527
 1YU  C23  C21  single    1.535  0.020  1.535
 1YU  C25  S28  single    1.812  0.020  1.812
 1YU  C21  C19  single    1.527  0.020  1.527
 1YU  F63  C10  single    1.347  0.020  1.347
 1YU  S28  O32  double    1.511  0.020  1.511
 1YU  S28  C29  single    1.812  0.020  1.812
 1YU  C19  C16  single    1.537  0.020  1.537
 1YU  C19  C29  single    1.525  0.020  1.525
 1YU  C11  C10  aromatic  1.377  0.020  1.377
 1YU  C11  C13  aromatic  1.391  0.020  1.391
 1YU  C10  C9   aromatic  1.393  0.020  1.393
 1YU  C16  C13  single    1.502  0.020  1.502
 1YU  C13  C14  aromatic  1.391  0.020  1.391
 1YU  C9   N64  single    1.377  0.020  1.377
 1YU  C9   C8   aromatic  1.399  0.020  1.399
 1YU  C14  C8   aromatic  1.384  0.020  1.384
 1YU  C8   O7   single    1.376  0.020  1.376
 1YU  F3   C2   single    1.332  0.020  1.332
 1YU  O7   C5   single    1.397  0.020  1.397
 1YU  C5   C2   single    1.529  0.020  1.529
 1YU  C5   C67  single    1.532  0.020  1.532
 1YU  C2   F1   single    1.332  0.020  1.332
 1YU  C2   F4   single    1.334  0.020  1.334
 1YU  F70  C67  single    1.333  0.020  1.333
 1YU  C67  F69  single    1.333  0.020  1.333
 1YU  C67  F68  single    1.332  0.020  1.332
 1YU  C5   H1   single    0.970  0.020  1.090
 1YU  C11  H2   single    0.930  0.020  1.080
 1YU  C14  H3   single    0.930  0.020  1.080
 1YU  C16  H4   single    0.970  0.020  1.090
 1YU  C16  H5   single    0.970  0.020  1.090
 1YU  C19  H6   single    0.970  0.020  1.090
 1YU  C21  H7   single    0.970  0.020  1.090
 1YU  C23  H8   single    0.970  0.020  1.090
 1YU  C25  H9   single    0.970  0.020  1.090
 1YU  C25  H10  single    0.970  0.020  1.090
 1YU  C29  H11  single    0.970  0.020  1.090
 1YU  C29  H12  single    0.970  0.020  1.090
 1YU  N33  H14  single    0.890  0.020  1.040
 1YU  C35  H16  single    0.970  0.020  1.090
 1YU  C35  H17  single    0.970  0.020  1.090
 1YU  C39  H18  single    0.930  0.020  1.080
 1YU  C42  H19  single    0.930  0.020  1.080
 1YU  C44  H20  single    0.930  0.020  1.080
 1YU  C46  H21  single    0.930  0.020  1.080
 1YU  C49  H22  single    0.970  0.020  1.090
 1YU  C49  H23  single    0.970  0.020  1.090
 1YU  C49  H24  single    0.970  0.020  1.090
 1YU  C53  H25  single    0.970  0.020  1.090
 1YU  C53  H26  single    0.970  0.020  1.090
 1YU  C53  H27  single    0.970  0.020  1.090
 1YU  C57  H28  single    0.970  0.020  1.090
 1YU  C57  H29  single    0.970  0.020  1.090
 1YU  C57  H30  single    0.970  0.020  1.090
 1YU  O61  H31  single    0.850  0.020  0.980
 1YU  N64  H32  single    0.890  0.020  1.040
 1YU  N64  H33  single    0.890  0.020  1.040

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
 1YU  C5   C2   F4   109.37  3.000
 1YU  F4   C2   F3   107.74  3.000
 1YU  C5   C2   F3   111.82  3.000
 1YU  F4   C2   F1   107.51  3.000
 1YU  C5   C2   F1   112.25  3.000
 1YU  F3   C2   F1   107.95  3.000
 1YU  H1   C5   C67  107.37  3.000
 1YU  H1   C5   O7   112.91  3.000
 1YU  C67  C5   O7   108.14  3.000
 1YU  H1   C5   C2   107.61  3.000
 1YU  C67  C5   C2   114.50  3.000
 1YU  O7   C5   C2   106.46  3.000
 1YU  C8   O7   C5   118.20  3.000
 1YU  C14  C8   C9   122.40  3.000
 1YU  C14  C8   O7   121.56  3.000
 1YU  C9   C8   O7   115.98  3.000
 1YU  N64  C9   C10  122.11  3.000
 1YU  N64  C9   C8   122.77  3.000
 1YU  C10  C9   C8   115.07  3.000
 1YU  F63  C10  C11  119.11  3.000
 1YU  C11  C10  C9   123.75  3.000
 1YU  F63  C10  C9   117.13  3.000
 1YU  H2   C11  C13  120.85  3.000
 1YU  H2   C11  C10  119.21  3.000
 1YU  C13  C11  C10  119.94  3.000
 1YU  C16  C13  C14  120.81  3.000
 1YU  C14  C13  C11  118.09  3.000
 1YU  C16  C13  C11  121.11  3.000
 1YU  H3   C14  C13  119.80  3.000
 1YU  H3   C14  C8   119.46  3.000
 1YU  C13  C14  C8   120.73  3.000
 1YU  H5   C16  H4   106.68  3.000
 1YU  H5   C16  C19  108.88  3.000
 1YU  H4   C16  C19  108.62  3.000
 1YU  H5   C16  C13  109.51  3.000
 1YU  H4   C16  C13  109.43  3.000
 1YU  C19  C16  C13  113.50  3.000
 1YU  H6   C19  C29  108.80  3.000
 1YU  H6   C19  C21  108.03  3.000
 1YU  C29  C19  C21  110.73  3.000
 1YU  H6   C19  C16  108.45  3.000
 1YU  C29  C19  C16  110.03  3.000
 1YU  C21  C19  C16  110.72  3.000
 1YU  H7   C21  O61  110.76  3.000
 1YU  H7   C21  C23  107.53  3.000
 1YU  O61  C21  C23  108.88  3.000
 1YU  H7   C21  C19  107.55  3.000
 1YU  C23  C21  C19  112.59  3.000
 1YU  O61  C21  C19  109.52  3.000
 1YU  H8   C23  N33  106.77  3.000
 1YU  H8   C23  C25  108.84  3.000
 1YU  N33  C23  C25  113.85  3.000
 1YU  H8   C23  C21  107.79  3.000
 1YU  C25  C23  C21  111.99  3.000
 1YU  N33  C23  C21  107.32  3.000
 1YU  H10  C25  H9   108.64  3.000
 1YU  H10  C25  S28  107.61  3.000
 1YU  H9   C25  S28  106.28  3.000
 1YU  H10  C25  C23  112.09  3.000
 1YU  H9   C25  C23  111.46  3.000
 1YU  S28  C25  C23  110.52  3.000
 1YU  O32  S28  C29  107.13  3.000
 1YU  C29  S28  C25   95.62  3.000
 1YU  O32  S28  C25  107.43  3.000
 1YU  H12  C29  H11  108.06  3.000
 1YU  H12  C29  S28  105.46  3.000
 1YU  H11  C29  S28  107.44  3.000
 1YU  H12  C29  C19  111.15  3.000
 1YU  H11  C29  C19  112.16  3.000
 1YU  S28  C29  C19  112.23  3.000
 1YU  H14  N33  C35  109.98  3.000
 1YU  H14  N33  C23  110.41  3.000
 1YU  C35  N33  C23  115.91  3.000
 1YU  H17  C35  H16  106.56  3.000
 1YU  H17  C35  C38  109.77  3.000
 1YU  H16  C35  C38  109.34  3.000
 1YU  H17  C35  N33  107.62  3.000
 1YU  H16  C35  N33  113.35  3.000
 1YU  C38  C35  N33  110.10  3.000
 1YU  C46  C38  C39  119.07  3.000
 1YU  C46  C38  C35  120.10  3.000
 1YU  C39  C38  C35  120.82  3.000
 1YU  H18  C39  C41  119.80  3.000
 1YU  H18  C39  C38  117.93  3.000
 1YU  C41  C39  C38  122.27  3.000
 1YU  C48  C41  C42  122.89  3.000
 1YU  C42  C41  C39  117.41  3.000
 1YU  C48  C41  C39  119.69  3.000
 1YU  H19  C42  C44  118.41  3.000
 1YU  H19  C42  C41  120.58  3.000
 1YU  C44  C42  C41  121.02  3.000
 1YU  H20  C44  C46  120.01  3.000
 1YU  H20  C44  C42  119.45  3.000
 1YU  C46  C44  C42  120.54  3.000
 1YU  H21  C46  C44  120.36  3.000
 1YU  H21  C46  C38  119.95  3.000
 1YU  C44  C46  C38  119.69  3.000
 1YU  C57  C48  C53  109.40  3.000
 1YU  C57  C48  C49  108.17  3.000
 1YU  C53  C48  C49  108.33  3.000
 1YU  C57  C48  C41  109.39  3.000
 1YU  C49  C48  C41  112.28  3.000
 1YU  C53  C48  C41  109.22  3.000
 1YU  H24  C49  H23  107.41  3.000
 1YU  H24  C49  H22  108.08  3.000
 1YU  H23  C49  H22  107.39  3.000
 1YU  H24  C49  C48  112.02  3.000
 1YU  H23  C49  C48  109.57  3.000
 1YU  H22  C49  C48  112.14  3.000
 1YU  H27  C53  H26  107.82  3.000
 1YU  H27  C53  H25  107.80  3.000
 1YU  H26  C53  H25  107.52  3.000
 1YU  H27  C53  C48  111.19  3.000
 1YU  H26  C53  C48  110.37  3.000
 1YU  H25  C53  C48  111.96  3.000
 1YU  H30  C57  H29  107.44  3.000
 1YU  H30  C57  H28  107.86  3.000
 1YU  H29  C57  H28  107.85  3.000
 1YU  H30  C57  C48  112.10  3.000
 1YU  H29  C57  C48  110.33  3.000
 1YU  H28  C57  C48  111.09  3.000
 1YU  H31  O61  C21  104.59  3.000
 1YU  H33  N64  H32  111.12  3.000
 1YU  H33  N64  C9   115.43  3.000
 1YU  H32  N64  C9   115.33  3.000
 1YU  F70  C67  F69  107.75  3.000
 1YU  F69  C67  F68  107.94  3.000
 1YU  F70  C67  F68  107.51  3.000
 1YU  F68  C67  C5   112.37  3.000
 1YU  F69  C67  C5   111.93  3.000
 1YU  F70  C67  C5   109.14  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
 1YU  CONST_01  C11  C10  C9   C8      0.00   0.0  0
 1YU  CONST_02  C11  C13  C14  C8      0.00   0.0  0
 1YU  CONST_03  C13  C11  C10  C9      0.00   0.0  0
 1YU  CONST_04  C13  C14  C8   C9      0.00   0.0  0
 1YU  CONST_05  C14  C13  C11  C10     0.00   0.0  0
 1YU  CONST_06  C14  C8   C9   C10     0.00   0.0  0
 1YU  CONST_07  C42  C41  C39  C38     0.00   0.0  0
 1YU  CONST_08  C42  C44  C46  C38     0.00   0.0  0
 1YU  CONST_09  C44  C42  C41  C39     0.00   0.0  0
 1YU  CONST_10  C44  C46  C38  C39     0.00   0.0  0
 1YU  CONST_11  C46  C44  C42  C41     0.00   0.0  0
 1YU  CONST_12  C46  C38  C39  C41     0.00   0.0  0
 1YU  CONST_13  C10  C9   C8   O7    180.00   0.0  0
 1YU  CONST_14  C13  C14  C8   O7    180.00   0.0  0
 1YU  CONST_15  F63  C10  C9   C8    180.00   0.0  0
 1YU  CONST_16  C16  C13  C14  C8    180.00   0.0  0
 1YU  CONST_17  C16  C13  C11  C10   180.00   0.0  0
 1YU  CONST_18  N64  C9   C10  C11   180.00   0.0  0
 1YU  CONST_19  F63  C10  C11  C13   180.00   0.0  0
 1YU  CONST_20  N64  C9   C8   C14   180.00   0.0  0
 1YU  CONST_21  C41  C39  C38  C35   180.00   0.0  0
 1YU  CONST_22  C44  C46  C38  C35   180.00   0.0  0
 1YU  CONST_23  C48  C41  C39  C38   180.00   0.0  0
 1YU  CONST_24  C48  C41  C42  C44   180.00   0.0  0
 1YU  CONST_25  H2   C11  C10  C9    180.00   0.0  0
 1YU  CONST_26  H3   C14  C8   C9    180.00   0.0  0
 1YU  CONST_27  H20  C44  C46  C38   180.00   0.0  0
 1YU  CONST_28  H19  C42  C41  C39   180.00   0.0  0
 1YU  CONST_29  H21  C46  C38  C39   180.00   0.0  0
 1YU  CONST_30  H18  C39  C41  C42   180.00   0.0  0
 1YU  Var_01    C25  S28  C29  C19    60.09  30.0  1
 1YU  Var_02    C29  S28  C25  C23   -59.40  30.0  1
 1YU  Var_03    C19  C16  C13  C11   113.80  30.0  2
 1YU  Var_04    C9   C8   O7   C5   -124.96  30.0  1
 1YU  Var_05    C38  C35  N33  C23   172.82  30.0  2
 1YU  Var_06    C39  C38  C35  N33   116.50  30.0  1
 1YU  Var_07    C53  C48  C41  C39   -59.31  30.0  2
 1YU  Var_08    C67  C5   O7   C8    103.21  30.0  3
 1YU  Var_09    H25  C53  C48  C41    61.70  30.0  3
 1YU  Var_10    H22  C49  C48  C41    60.41  30.0  3
 1YU  Var_11    H28  C57  C48  C41    61.00  30.0  3
 1YU  Var_12    O7   C5   C2   F1    -56.57  30.0  3
 1YU  Var_13    F70  C67  C5   C2    179.11  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
 1YU  chir_01  C19  C21  C16  C29  positiv
 1YU  chir_02  C21  O61  C19  C23  negativ
 1YU  chir_03  C23  N33  C21  C25  positiv

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
 1YU  plan-1  O7   0.020
 1YU  plan-1  C8   0.020
 1YU  plan-1  C9   0.020
 1YU  plan-1  C10  0.020
 1YU  plan-1  C11  0.020
 1YU  plan-1  C13  0.020
 1YU  plan-1  C14  0.020
 1YU  plan-1  C16  0.020
 1YU  plan-1  F63  0.020
 1YU  plan-1  N64  0.020
 1YU  plan-1  H2   0.020
 1YU  plan-1  H3   0.020
 1YU  plan-2  C35  0.020
 1YU  plan-2  C38  0.020
 1YU  plan-2  C39  0.020
 1YU  plan-2  C41  0.020
 1YU  plan-2  C42  0.020
 1YU  plan-2  C44  0.020
 1YU  plan-2  C46  0.020
 1YU  plan-2  C48  0.020
 1YU  plan-2  H18  0.020
 1YU  plan-2  H19  0.020
 1YU  plan-2  H20  0.020
 1YU  plan-2  H21  0.020
 1YU  plan-3  C9   0.020
 1YU  plan-3  N64  0.020
 1YU  plan-3  H32  0.020
 1YU  plan-3  H33  0.020

