# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Fri May 22 02:50:18 2020
#   Inital geometry file: a 162 line input string
#   Ligand name: (1R,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
 1YS  1YS  '(1R,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_1YS
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
 1YS  F1   F  F     0  -0.293  -4.2303   3.2466  -2.2845
 1YS  C2   C  CT    0   0.999  -4.5625   2.7891  -1.0785
 1YS  F3   F  F     0  -0.295  -3.6453   3.2207  -0.2122
 1YS  F4   F  F     0  -0.293  -5.7264   3.3390  -0.7362
 1YS  C5   C  CH1   0  -0.372  -4.6095   1.2611  -1.0483
 1YS  O7   O  O2    0  -0.513  -4.9596   0.8966   0.2542
 1YS  C8   C  CR6   0   0.337  -4.2273  -0.0906   0.8722
 1YS  C9   C  CR6   0   0.050  -4.9594  -1.1642   1.3906
 1YS  C10  C  CR6   0   0.514  -4.2056  -2.1249   2.0615
 1YS  C11  C  CR16  0  -0.485  -2.8378  -2.0610   2.2070
 1YS  C13  C  CR6   0   0.125  -2.1350  -0.9838   1.6772
 1YS  C14  C  CR16  0  -0.400  -2.8543   0.0067   1.0172
 1YS  C16  C  CH2   0  -0.500  -0.6402  -0.8879   1.7945
 1YS  C19  C  CH1   0  -0.261   0.0925  -1.2298   0.4855
 1YS  C21  C  CH1   0   0.112   1.6013  -1.0586   0.6456
 1YS  C23  C  CH1   0  -0.095   2.3740  -1.3371  -0.6504
 1YS  C25  C  CH2   0  -0.645   2.1779  -2.7694  -1.1323
 1YS  S28  S  S3    0   0.755   0.4462  -3.1094  -1.5523
 1YS  C29  C  CH2   0  -0.626  -0.2366  -2.6556   0.0655
 1YS  O32  O  O     0  -0.783   0.0188  -2.0351  -2.5279
 1YS  N33  N  NH1   0  -0.622   3.7650  -0.9950  -0.4082
 1YS  C35  C  CH2   0  -0.314   4.5619  -0.7136  -1.5890
 1YS  C38  C  CR6   0   0.102   5.9670  -0.3197  -1.2114
 1YS  C39  C  CR16  0  -0.360   6.1952   0.5992  -0.1933
 1YS  C41  C  CR6   0   0.220   7.4809   0.9934   0.1797
 1YS  C42  C  CR16  0  -0.355   8.5543   0.4346  -0.5116
 1YS  C44  C  CR16  0  -0.219   8.3438  -0.4826  -1.5335
 1YS  C46  C  CR16  0  -0.338   7.0579  -0.8646  -1.8817
 1YS  C48  C  CT    0  -0.173   7.6578   2.0008   1.3118
 1YS  C49  C  CH3   0  -0.631   6.9528   3.3122   0.9400
 1YS  C53  C  CH3   0  -0.629   7.0371   1.4334   2.5960
 1YS  C57  C  CH3   0  -0.665   9.1287   2.3100   1.5906
 1YS  O61  O  OH1   0  -0.682   1.8835   0.2503   1.0665
 1YS  F63  F  F     0  -0.322  -4.8715  -3.1744   2.5826
 1YS  N64  N  NH2   0  -0.839  -6.3193  -1.2951   1.2128
 1YS  C67  C  CT    0   1.027  -5.6303   0.6363  -2.0043
 1YS  F68  F  F     0  -0.292  -5.3949   0.9689  -3.2727
 1YS  F69  F  F     0  -0.295  -5.5568  -0.6921  -1.9104
 1YS  F70  F  F     0  -0.294  -6.8806   0.9899  -1.7109
 1YS  H1   H  HCH1  0   0.336  -3.6181   0.8941  -1.3425
 1YS  H2   H  HCR6  0   0.273  -2.3227  -2.8533   2.7364
 1YS  H3   H  HCR6  0   0.270  -2.3321   0.8746   0.6308
 1YS  H4   H  HCH2  0   0.267  -0.3691   0.1255   2.0943
 1YS  H5   H  HCH2  0   0.247  -0.2878  -1.5551   2.5869
 1YS  H6   H  HCH1  0   0.252  -0.2554  -0.5487  -0.2995
 1YS  H7   H  HCH1  0   0.189   1.9418  -1.7911   1.4015
 1YS  H8   H  HCH1  0   0.253   2.0016  -0.6565  -1.4234
 1YS  H9   H  HCH2  0   0.307   2.7532  -2.9791  -2.0357
 1YS  H10  H  HCH2  0   0.285   2.4662  -3.5008  -0.3720
 1YS  H11  H  HCH2  0   0.282   0.1454  -3.3909   0.7795
 1YS  H12  H  HCH2  0   0.309  -1.3131  -2.8090  -0.0233
 1YS  H14  H  HNH1  0   0.357   4.2125  -1.7169   0.1467
 1YS  H16  H  HCH2  0   0.224   4.6083  -1.5528  -2.2962
 1YS  H17  H  HCH2  0   0.248   4.0815   0.1103  -2.1259
 1YS  H18  H  HCR6  0   0.240   5.3371   1.0127   0.3235
 1YS  H19  H  HCR6  0   0.249   9.5708   0.7037  -0.2592
 1YS  H20  H  HCR6  0   0.250   9.1923  -0.9062  -2.0558
 1YS  H21  H  HCR6  0   0.247   6.9019  -1.5899  -2.6715
 1YS  H22  H  HCH3  0   0.228   5.8866   3.1690   0.7611
 1YS  H23  H  HCH3  0   0.226   7.0551   4.0389   1.7484
 1YS  H24  H  HCH3  0   0.228   7.3856   3.7502   0.0386
 1YS  H25  H  HCH3  0   0.228   7.5377   0.5118   2.8978
 1YS  H26  H  HCH3  0   0.227   7.1339   2.1515   3.4131
 1YS  H27  H  HCH3  0   0.225   5.9756   1.2128   2.4765
 1YS  H28  H  HCH3  0   0.230   9.6318   2.7374   0.7214
 1YS  H29  H  HCH3  0   0.237   9.2039   3.0370   2.4009
 1YS  H30  H  HCH3  0   0.230   9.6830   1.4213   1.8988
 1YS  H31  H  HOH1  0   0.444   2.8229   0.3715   0.8546
 1YS  H32  H  HNH2  0   0.380  -6.8104  -0.4384   1.0163
 1YS  H33  H  HNH2  0   0.384  -6.7962  -1.8305   1.9205

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
 1YS  F69  C67  single    1.334  0.020  1.334
 1YS  F68  C67  single    1.332  0.020  1.332
 1YS  C67  F70  single    1.332  0.020  1.332
 1YS  C67  C5   single    1.532  0.020  1.532
 1YS  O61  C21  single    1.404  0.020  1.404
 1YS  N33  C35  single    1.452  0.020  1.452
 1YS  N33  C23  single    1.453  0.020  1.453
 1YS  C21  C23  single    1.534  0.020  1.534
 1YS  C21  C19  single    1.527  0.020  1.527
 1YS  C5   O7   single    1.397  0.020  1.397
 1YS  C5   C2   single    1.529  0.020  1.529
 1YS  C16  C19  single    1.539  0.020  1.539
 1YS  C16  C13  single    1.503  0.020  1.503
 1YS  C35  C38  single    1.507  0.020  1.507
 1YS  F4   C2   single    1.332  0.020  1.332
 1YS  C14  C13  aromatic  1.391  0.020  1.391
 1YS  C14  C8   aromatic  1.384  0.020  1.384
 1YS  C23  C25  single    1.524  0.020  1.524
 1YS  O7   C8   single    1.376  0.020  1.376
 1YS  C19  C29  single    1.522  0.020  1.522
 1YS  C25  S28  single    1.814  0.020  1.814
 1YS  C2   F3   single    1.333  0.020  1.333
 1YS  C2   F1   single    1.332  0.020  1.332
 1YS  C29  S28  single    1.814  0.020  1.814
 1YS  C13  C11  aromatic  1.391  0.020  1.391
 1YS  C8   C9   aromatic  1.399  0.020  1.399
 1YS  C49  C48  single    1.535  0.020  1.535
 1YS  C39  C38  aromatic  1.390  0.020  1.390
 1YS  C39  C41  aromatic  1.396  0.020  1.396
 1YS  C38  C46  aromatic  1.391  0.020  1.391
 1YS  S28  O32  double    1.513  0.020  1.513
 1YS  C57  C48  single    1.529  0.020  1.529
 1YS  C11  C10  aromatic  1.377  0.020  1.377
 1YS  C9   C10  aromatic  1.393  0.020  1.393
 1YS  C9   N64  single    1.378  0.020  1.378
 1YS  C48  C41  single    1.526  0.020  1.526
 1YS  C48  C53  single    1.535  0.020  1.535
 1YS  C41  C42  aromatic  1.394  0.020  1.394
 1YS  C46  C44  aromatic  1.386  0.020  1.386
 1YS  C10  F63  single    1.348  0.020  1.348
 1YS  C42  C44  aromatic  1.389  0.020  1.389
 1YS  C5   H1   single    0.970  0.020  1.090
 1YS  C11  H2   single    0.930  0.020  1.080
 1YS  C14  H3   single    0.930  0.020  1.080
 1YS  C16  H4   single    0.970  0.020  1.090
 1YS  C16  H5   single    0.970  0.020  1.090
 1YS  C19  H6   single    0.970  0.020  1.090
 1YS  C21  H7   single    0.970  0.020  1.090
 1YS  C23  H8   single    0.970  0.020  1.090
 1YS  C25  H9   single    0.970  0.020  1.090
 1YS  C25  H10  single    0.970  0.020  1.090
 1YS  C29  H11  single    0.970  0.020  1.090
 1YS  C29  H12  single    0.970  0.020  1.090
 1YS  N33  H14  single    0.890  0.020  1.040
 1YS  C35  H16  single    0.970  0.020  1.090
 1YS  C35  H17  single    0.970  0.020  1.090
 1YS  C39  H18  single    0.930  0.020  1.080
 1YS  C42  H19  single    0.930  0.020  1.080
 1YS  C44  H20  single    0.930  0.020  1.080
 1YS  C46  H21  single    0.930  0.020  1.080
 1YS  C49  H22  single    0.970  0.020  1.090
 1YS  C49  H23  single    0.970  0.020  1.090
 1YS  C49  H24  single    0.970  0.020  1.090
 1YS  C53  H25  single    0.970  0.020  1.090
 1YS  C53  H26  single    0.970  0.020  1.090
 1YS  C53  H27  single    0.970  0.020  1.090
 1YS  C57  H28  single    0.970  0.020  1.090
 1YS  C57  H29  single    0.970  0.020  1.090
 1YS  C57  H30  single    0.970  0.020  1.090
 1YS  O61  H31  single    0.850  0.020  0.980
 1YS  N64  H32  single    0.890  0.020  1.040
 1YS  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
 1YS  C5   C2   F4   112.38  3.000
 1YS  F4   C2   F3   107.48  3.000
 1YS  C5   C2   F3   109.38  3.000
 1YS  F3   C2   F1   107.79  3.000
 1YS  F4   C2   F1   107.98  3.000
 1YS  C5   C2   F1   111.64  3.000
 1YS  H1   C5   C67  107.36  3.000
 1YS  H1   C5   O7   112.90  3.000
 1YS  C67  C5   O7   107.97  3.000
 1YS  H1   C5   C2   107.53  3.000
 1YS  O7   C5   C2   106.67  3.000
 1YS  C67  C5   C2   114.57  3.000
 1YS  C8   O7   C5   118.20  3.000
 1YS  C14  C8   C9   122.29  3.000
 1YS  C9   C8   O7   116.01  3.000
 1YS  C14  C8   O7   121.64  3.000
 1YS  N64  C9   C10  122.05  3.000
 1YS  N64  C9   C8   122.79  3.000
 1YS  C10  C9   C8   115.11  3.000
 1YS  F63  C10  C11  119.08  3.000
 1YS  F63  C10  C9   117.12  3.000
 1YS  C11  C10  C9   123.80  3.000
 1YS  H2   C11  C13  120.82  3.000
 1YS  H2   C11  C10  119.35  3.000
 1YS  C13  C11  C10  119.84  3.000
 1YS  C16  C13  C14  120.41  3.000
 1YS  C14  C13  C11  118.10  3.000
 1YS  C16  C13  C11  121.49  3.000
 1YS  H3   C14  C13  119.36  3.000
 1YS  H3   C14  C8   119.79  3.000
 1YS  C13  C14  C8   120.84  3.000
 1YS  H5   C16  H4   106.70  3.000
 1YS  H5   C16  C19  109.10  3.000
 1YS  H4   C16  C19  108.78  3.000
 1YS  H5   C16  C13  109.76  3.000
 1YS  H4   C16  C13  109.14  3.000
 1YS  C19  C16  C13  113.15  3.000
 1YS  H6   C19  C29  108.41  3.000
 1YS  H6   C19  C21  108.61  3.000
 1YS  C29  C19  C21  110.34  3.000
 1YS  H6   C19  C16  108.67  3.000
 1YS  C29  C19  C16  109.87  3.000
 1YS  C21  C19  C16  110.88  3.000
 1YS  H7   C21  O61  110.53  3.000
 1YS  H7   C21  C23  107.58  3.000
 1YS  O61  C21  C23  108.74  3.000
 1YS  H7   C21  C19  107.55  3.000
 1YS  C23  C21  C19  112.87  3.000
 1YS  O61  C21  C19  109.56  3.000
 1YS  H8   C23  N33  107.26  3.000
 1YS  H8   C23  C25  108.49  3.000
 1YS  N33  C23  C25  113.41  3.000
 1YS  H8   C23  C21  108.19  3.000
 1YS  C25  C23  C21  111.90  3.000
 1YS  N33  C23  C21  107.38  3.000
 1YS  H10  C25  H9   107.94  3.000
 1YS  H10  C25  S28  106.69  3.000
 1YS  H9   C25  S28  106.00  3.000
 1YS  H10  C25  C23  112.01  3.000
 1YS  H9   C25  C23  112.00  3.000
 1YS  S28  C25  C23  111.85  3.000
 1YS  O32  S28  C29  106.93  3.000
 1YS  O32  S28  C25  106.61  3.000
 1YS  C29  S28  C25   96.08  3.000
 1YS  H12  C29  H11  107.65  3.000
 1YS  H12  C29  S28  105.29  3.000
 1YS  H11  C29  S28  106.41  3.000
 1YS  H12  C29  C19  111.56  3.000
 1YS  H11  C29  C19  111.96  3.000
 1YS  S28  C29  C19  113.52  3.000
 1YS  H14  N33  C35  109.91  3.000
 1YS  H14  N33  C23  110.23  3.000
 1YS  C35  N33  C23  115.82  3.000
 1YS  H17  C35  H16  106.13  3.000
 1YS  H17  C35  C38  109.59  3.000
 1YS  H16  C35  C38  108.76  3.000
 1YS  H17  C35  N33  107.69  3.000
 1YS  H16  C35  N33  113.49  3.000
 1YS  C38  C35  N33  111.01  3.000
 1YS  C46  C38  C39  118.87  3.000
 1YS  C46  C38  C35  120.52  3.000
 1YS  C39  C38  C35  120.61  3.000
 1YS  H18  C39  C41  119.62  3.000
 1YS  H18  C39  C38  118.12  3.000
 1YS  C41  C39  C38  122.26  3.000
 1YS  C48  C41  C42  122.92  3.000
 1YS  C42  C41  C39  117.62  3.000
 1YS  C48  C41  C39  119.45  3.000
 1YS  H19  C42  C44  118.59  3.000
 1YS  H19  C42  C41  120.56  3.000
 1YS  C44  C42  C41  120.86  3.000
 1YS  H20  C44  C46  119.88  3.000
 1YS  H20  C44  C42  119.63  3.000
 1YS  C46  C44  C42  120.49  3.000
 1YS  H21  C46  C44  120.08  3.000
 1YS  H21  C46  C38  120.02  3.000
 1YS  C44  C46  C38  119.90  3.000
 1YS  C57  C48  C53  108.14  3.000
 1YS  C53  C48  C49  109.44  3.000
 1YS  C57  C48  C49  108.26  3.000
 1YS  C53  C48  C41  109.26  3.000
 1YS  C57  C48  C41  112.36  3.000
 1YS  C49  C48  C41  109.34  3.000
 1YS  H24  C49  H23  107.89  3.000
 1YS  H24  C49  H22  107.75  3.000
 1YS  H23  C49  H22  107.49  3.000
 1YS  H24  C49  C48  111.15  3.000
 1YS  H23  C49  C48  110.26  3.000
 1YS  H22  C49  C48  112.13  3.000
 1YS  H27  C53  H26  107.53  3.000
 1YS  H27  C53  H25  107.82  3.000
 1YS  H26  C53  H25  107.93  3.000
 1YS  H27  C53  C48  112.12  3.000
 1YS  H26  C53  C48  110.31  3.000
 1YS  H25  C53  C48  110.97  3.000
 1YS  H30  C57  H29  107.31  3.000
 1YS  H30  C57  H28  108.03  3.000
 1YS  H29  C57  H28  107.38  3.000
 1YS  H30  C57  C48  112.05  3.000
 1YS  H29  C57  C48  109.67  3.000
 1YS  H28  C57  C48  112.18  3.000
 1YS  H31  O61  C21  104.22  3.000
 1YS  H33  N64  H32  111.00  3.000
 1YS  H33  N64  C9   115.28  3.000
 1YS  H32  N64  C9   115.21  3.000
 1YS  F70  C67  F69  107.50  3.000
 1YS  F70  C67  F68  108.02  3.000
 1YS  F69  C67  F68  107.82  3.000
 1YS  F70  C67  C5   112.32  3.000
 1YS  F68  C67  C5   112.00  3.000
 1YS  F69  C67  C5   109.00  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
 1YS  CONST_01  C11  C13  C14  C8     0.00   0.0  0
 1YS  CONST_02  C11  C10  C9   C8     0.00   0.0  0
 1YS  CONST_03  C13  C14  C8   C9     0.00   0.0  0
 1YS  CONST_04  C13  C11  C10  C9     0.00   0.0  0
 1YS  CONST_05  C14  C13  C11  C10    0.00   0.0  0
 1YS  CONST_06  C14  C8   C9   C10    0.00   0.0  0
 1YS  CONST_07  C42  C41  C39  C38    0.00   0.0  0
 1YS  CONST_08  C42  C44  C46  C38    0.00   0.0  0
 1YS  CONST_09  C44  C46  C38  C39    0.00   0.0  0
 1YS  CONST_10  C44  C42  C41  C39    0.00   0.0  0
 1YS  CONST_11  C46  C38  C39  C41    0.00   0.0  0
 1YS  CONST_12  C46  C44  C42  C41    0.00   0.0  0
 1YS  CONST_13  C13  C14  C8   O7   180.00   0.0  0
 1YS  CONST_14  C10  C9   C8   O7   180.00   0.0  0
 1YS  CONST_15  C16  C13  C14  C8   180.00   0.0  0
 1YS  CONST_16  F63  C10  C9   C8   180.00   0.0  0
 1YS  CONST_17  C16  C13  C11  C10  180.00   0.0  0
 1YS  CONST_18  N64  C9   C10  C11  180.00   0.0  0
 1YS  CONST_19  F63  C10  C11  C13  180.00   0.0  0
 1YS  CONST_20  N64  C9   C8   C14  180.00   0.0  0
 1YS  CONST_21  C41  C39  C38  C35  180.00   0.0  0
 1YS  CONST_22  C44  C46  C38  C35  180.00   0.0  0
 1YS  CONST_23  C48  C41  C39  C38  180.00   0.0  0
 1YS  CONST_24  C48  C41  C42  C44  180.00   0.0  0
 1YS  CONST_25  H3   C14  C8   C9   180.00   0.0  0
 1YS  CONST_26  H2   C11  C10  C9   180.00   0.0  0
 1YS  CONST_27  H20  C44  C46  C38  180.00   0.0  0
 1YS  CONST_28  H21  C46  C38  C39  180.00   0.0  0
 1YS  CONST_29  H19  C42  C41  C39  180.00   0.0  0
 1YS  CONST_30  H18  C39  C41  C42  180.00   0.0  0
 1YS  Var_01    C25  S28  C29  C19   57.64  30.0  1
 1YS  Var_02    C29  S28  C25  C23  -56.58  30.0  1
 1YS  Var_03    C19  C16  C13  C11  103.81  30.0  3
 1YS  Var_04    C14  C8   O7   C5    56.22  30.0  2
 1YS  Var_05    C38  C35  N33  C23  177.76  30.0  3
 1YS  Var_06    C39  C38  C35  N33  -45.82  30.0  2
 1YS  Var_07    C49  C48  C41  C39  -60.11  30.0  2
 1YS  Var_08    C67  C5   O7   C8   103.56  30.0  2
 1YS  Var_09    H22  C49  C48  C41   59.28  30.0  3
 1YS  Var_10    H28  C57  C48  C41   60.44  30.0  3
 1YS  Var_11    H25  C53  C48  C41   61.75  30.0  3
 1YS  Var_12    F69  C67  C5   C2   178.60  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
 1YS  chir_01  C19  C21  C16  C29  positiv
 1YS  chir_02  C21  O61  C19  C23  negativ
 1YS  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
 1YS  plan-1  O7   0.020
 1YS  plan-1  C8   0.020
 1YS  plan-1  C9   0.020
 1YS  plan-1  C10  0.020
 1YS  plan-1  C11  0.020
 1YS  plan-1  C13  0.020
 1YS  plan-1  C14  0.020
 1YS  plan-1  C16  0.020
 1YS  plan-1  F63  0.020
 1YS  plan-1  N64  0.020
 1YS  plan-1  H2   0.020
 1YS  plan-1  H3   0.020
 1YS  plan-2  C35  0.020
 1YS  plan-2  C38  0.020
 1YS  plan-2  C39  0.020
 1YS  plan-2  C41  0.020
 1YS  plan-2  C42  0.020
 1YS  plan-2  C44  0.020
 1YS  plan-2  C46  0.020
 1YS  plan-2  C48  0.020
 1YS  plan-2  H18  0.020
 1YS  plan-2  H19  0.020
 1YS  plan-2  H20  0.020
 1YS  plan-2  H21  0.020
 1YS  plan-3  C9   0.020
 1YS  plan-3  N64  0.020
 1YS  plan-3  H32  0.020
 1YS  plan-3  H33  0.020

