# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Jul 31 03:31:53 2022
#   Inital geometry file: a 142 line input string
#   Ligand name: methyl (2R,3S)-3-[(methanesulfonyl)amino]-2-({[(1s,4S)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COC(=O)N1CCC[C@H](N[S](C)(=O)=O)[C@@H]1CO[C@@H]2CC[C@@H](CC2)c3ccccc3
#
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
 A6F  A6F  "methyl (2R,3S)-3-[(methanesulfonyl)amino]-2-({[(1s,4S)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate"  ligand  61  29  .  2022-09-16  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_A6F
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
 A6F  N1   N  NT    0  -0.505  128.9681  114.9336  89.2078
 A6F  C4   C  CH2   0  -0.437  129.2802  113.0814  91.4050
 A6F  C5   C  CH2   0  -0.451  127.9373  113.3106  90.7320
 A6F  C6   C  CH2   0  -0.307  127.8588  114.6989  90.1253
 A6F  C7   C  C     0   0.760  128.7094  115.5542  88.0305
 A6F  C10  C  CH3   0  -0.407  129.6483  116.4112  86.0522
 A6F  C13  C  CR16  0   0.052  130.7766  117.0591  92.5245
 A6F  C15  C  C     0  -0.418  128.7842  116.9091  94.0759
 A6F  C17  C  C     0  -0.414  128.7705  118.5600  92.1701
 A6F  C20  C  CR16  0  -0.339  126.2343  119.3614  94.5786
 A6F  C21  C  CR16  0  -0.235  124.8566  119.4874  94.7102
 A6F  C22  C  CR16  0  -0.274  124.0102  118.6589  93.9871
 A6F  C24  C  CR16  0  -0.328  125.9296  117.5848  93.0068
 A6F  C11  C  CH2   0  -0.138  130.9000  115.8856  90.4578
 A6F  C14  C  C     0  -0.458  130.2990  116.7867  93.9432
 A6F  C16  C  CR16  0  -0.340  128.2891  118.2787  93.5984
 A6F  C18  C  C     0  -0.475  130.2854  118.4279  92.0580
 A6F  C19  C  CR6   0   0.200  126.7930  118.4106  93.7282
 A6F  C2   C  CH1   0  -0.120  130.3305  114.7024  89.6845
 A6F  C23  C  CR16  0  -0.239  124.5533  117.7059  93.1333
 A6F  C29  C  CH3   0  -0.788  133.3349  112.0230  89.2299
 A6F  C3   C  CH1   0  -0.083  130.4025  113.3411  90.4090
 A6F  N25  N  NC1   0  -0.765  131.7232  113.1944  91.0058
 A6F  O12  O  O2    0  -0.491  130.2833  116.0097  91.7095
 A6F  O27  O  OS    0  -0.669  133.6033  111.8075  91.8490
 A6F  O28  O  OS    0  -0.663  131.6941  110.6391  90.7220
 A6F  O8   O  O     0  -0.517  127.6023  115.8691  87.6409
 A6F  O9   O  O2    0  -0.480  129.8159  115.7823  87.3170
 A6F  S26  S  S     0   1.340  132.5752  111.7970  90.8188
 A6F  H1   H  HCH2  0   0.244  129.3600  112.0529  91.7623
 A6F  H2   H  HCH2  0   0.237  129.3816  113.7363  92.2724
 A6F  H3   H  HCH2  0   0.244  127.1248  113.1933  91.4513
 A6F  H4   H  HCH2  0   0.227  127.7803  112.5618  89.9498
 A6F  H5   H  HCH2  0   0.249  127.8583  115.4521  90.9185
 A6F  H6   H  HCH2  0   0.260  126.9287  114.8101  89.5760
 A6F  H7   H  HCH3  0   0.245  130.6470  116.5060  85.6352
 A6F  H8   H  HCH3  0   0.232  129.0360  115.8107  85.3795
 A6F  H9   H  HCH3  0   0.232  129.2054  117.4024  86.1489
 A6F  H10  H  HCR6  0   0.220  131.8766  117.0444  92.5041
 A6F  H11  H  H     0   0.233  128.4922  116.7578  95.1180
 A6F  H12  H  H     0   0.226  128.2941  116.1178  93.5012
 A6F  H13  H  H     0   0.234  128.4653  119.5658  91.8713
 A6F  H14  H  H     0   0.226  128.2846  117.8726  91.4711
 A6F  H15  H  HCR6  0   0.243  126.8885  120.0131  95.1466
 A6F  H16  H  HCR6  0   0.249  124.4461  120.2341  95.3783
 A6F  H17  H  HCR6  0   0.249  122.9366  118.7537  94.0870
 A6F  H18  H  HCR6  0   0.256  126.3348  116.8356  92.3362
 A6F  H19  H  HCH2  0   0.209  131.9833  115.7425  90.5715
 A6F  H20  H  HCH2  0   0.219  130.7679  116.7847  89.8421
 A6F  H21  H  H     0   0.236  130.6322  115.7962  94.2635
 A6F  H22  H  H     0   0.225  130.7830  117.5086  94.6079
 A6F  H23  H  HCR6  0   0.231  128.7454  119.0352  94.2491
 A6F  H24  H  H     0   0.240  130.6103  118.6319  91.0347
 A6F  H25  H  H     0   0.228  130.7680  119.1865  92.6825
 A6F  H26  H  HCH1  0   0.285  130.9785  114.6008  88.8144
 A6F  H27  H  HCR6  0   0.249  123.9021  117.0545  92.5641
 A6F  H28  H  HCH3  0   0.290  133.9846  112.8933  89.2687
 A6F  H29  H  HCH3  0   0.297  133.9121  111.1284  89.0016
 A6F  H30  H  HCH3  0   0.291  132.5650  112.1640  88.4735
 A6F  H31  H  HCH1  0   0.269  130.3073  112.5880  89.6206
 A6F  H32  H  HNC1  0   0.416  131.8289  113.5799  91.9386

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
 A6F  C10  O9   single    1.422  0.020  1.422
 A6F  C29  S26  single    1.776  0.020  1.776
 A6F  O9   C7   single    1.336  0.020  1.336
 A6F  O8   C7   double    1.215  0.020  1.215
 A6F  O28  S26  double    1.458  0.020  1.458
 A6F  C7   N1   single    1.356  0.020  1.356
 A6F  S26  O27  double    1.455  0.020  1.455
 A6F  S26  N25  single    1.647  0.020  1.647
 A6F  C2   N1   single    1.462  0.020  1.462
 A6F  C2   C3   single    1.544  0.020  1.544
 A6F  C2   C11  single    1.524  0.020  1.524
 A6F  N1   C6   single    1.459  0.020  1.459
 A6F  C3   N25  single    1.457  0.020  1.457
 A6F  C3   C4   single    1.523  0.020  1.523
 A6F  C11  O12  single    1.401  0.020  1.401
 A6F  C6   C5   single    1.517  0.020  1.517
 A6F  C5   C4   single    1.520  0.020  1.520
 A6F  C23  C24  aromatic  1.387  0.020  1.387
 A6F  C23  C22  aromatic  1.390  0.020  1.390
 A6F  C24  C19  aromatic  1.396  0.020  1.396
 A6F  C22  C21  aromatic  1.388  0.020  1.388
 A6F  O12  C13  single    1.417  0.020  1.417
 A6F  C17  C18  single    1.525  0.020  1.525
 A6F  C17  C16  single    1.533  0.020  1.533
 A6F  C18  C13  single    1.527  0.020  1.527
 A6F  C19  C16  single    1.508  0.020  1.508
 A6F  C19  C20  aromatic  1.393  0.020  1.393
 A6F  C13  C14  single    1.522  0.020  1.522
 A6F  C21  C20  aromatic  1.390  0.020  1.390
 A6F  C16  C15  single    1.533  0.020  1.533
 A6F  C15  C14  single    1.526  0.020  1.526
 A6F  C4   H1   single    0.970  0.020  1.090
 A6F  C4   H2   single    0.970  0.020  1.090
 A6F  C5   H3   single    0.970  0.020  1.090
 A6F  C5   H4   single    0.970  0.020  1.090
 A6F  C6   H5   single    0.970  0.020  1.090
 A6F  C6   H6   single    0.970  0.020  1.090
 A6F  C10  H7   single    0.970  0.020  1.090
 A6F  C10  H8   single    0.970  0.020  1.090
 A6F  C10  H9   single    0.970  0.020  1.090
 A6F  C13  H10  single    0.970  0.020  1.090
 A6F  C15  H11  single    0.970  0.020  1.090
 A6F  C15  H12  single    0.970  0.020  1.090
 A6F  C17  H13  single    0.970  0.020  1.090
 A6F  C17  H14  single    0.970  0.020  1.090
 A6F  C20  H15  single    0.930  0.020  1.080
 A6F  C21  H16  single    0.930  0.020  1.080
 A6F  C22  H17  single    0.930  0.020  1.080
 A6F  C24  H18  single    0.930  0.020  1.080
 A6F  C11  H19  single    0.970  0.020  1.090
 A6F  C11  H20  single    0.970  0.020  1.090
 A6F  C14  H21  single    0.970  0.020  1.090
 A6F  C14  H22  single    0.970  0.020  1.090
 A6F  C16  H23  single    0.970  0.020  1.090
 A6F  C18  H24  single    0.970  0.020  1.090
 A6F  C18  H25  single    0.970  0.020  1.090
 A6F  C2   H26  single    0.970  0.020  1.090
 A6F  C23  H27  single    0.930  0.020  1.080
 A6F  C29  H28  single    0.970  0.020  1.090
 A6F  C29  H29  single    0.970  0.020  1.090
 A6F  C29  H30  single    0.970  0.020  1.090
 A6F  C3   H31  single    0.970  0.020  1.090
 A6F  N25  H32  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
 A6F  C2   N1   C7   122.24  3.000
 A6F  C2   N1   C6   118.57  3.000
 A6F  C7   N1   C6   118.34  3.000
 A6F  H2   C4   H1   107.36  3.000
 A6F  H2   C4   C3   110.42  3.000
 A6F  H1   C4   C3   108.71  3.000
 A6F  H2   C4   C5   110.10  3.000
 A6F  H1   C4   C5   110.59  3.000
 A6F  C3   C4   C5   109.63  3.000
 A6F  H4   C5   H3   106.91  3.000
 A6F  H4   C5   C6   109.45  3.000
 A6F  H3   C5   C6   108.87  3.000
 A6F  H4   C5   C4   109.89  3.000
 A6F  H3   C5   C4   110.47  3.000
 A6F  C6   C5   C4   111.15  3.000
 A6F  H6   C6   H5   107.21  3.000
 A6F  H6   C6   C5   109.89  3.000
 A6F  H5   C6   C5   109.89  3.000
 A6F  H6   C6   N1   108.47  3.000
 A6F  H5   C6   N1   110.23  3.000
 A6F  C5   C6   N1   111.06  3.000
 A6F  O9   C7   O8   122.62  3.000
 A6F  O8   C7   N1   124.81  3.000
 A6F  O9   C7   N1   112.57  3.000
 A6F  H9   C10  H8   109.12  3.000
 A6F  H9   C10  H7   109.16  3.000
 A6F  H8   C10  H7   109.12  3.000
 A6F  H9   C10  O9   111.78  3.000
 A6F  H8   C10  O9   111.80  3.000
 A6F  H7   C10  O9   105.76  3.000
 A6F  H10  C13  O12  109.11  3.000
 A6F  H10  C13  C18  109.14  3.000
 A6F  O12  C13  C18  112.09  3.000
 A6F  H10  C13  C14  109.19  3.000
 A6F  C18  C13  C14  110.14  3.000
 A6F  O12  C13  C14  107.12  3.000
 A6F  H12  C15  H11  106.33  3.000
 A6F  H12  C15  C16  109.76  3.000
 A6F  H11  C15  C16  109.55  3.000
 A6F  H12  C15  C14  109.95  3.000
 A6F  H11  C15  C14  109.70  3.000
 A6F  C16  C15  C14  111.43  3.000
 A6F  H14  C17  H13  106.23  3.000
 A6F  H14  C17  C18  109.86  3.000
 A6F  H13  C17  C18  109.70  3.000
 A6F  H14  C17  C16  109.90  3.000
 A6F  H13  C17  C16  109.63  3.000
 A6F  C18  C17  C16  111.38  3.000
 A6F  H15  C20  C19  119.23  3.000
 A6F  H15  C20  C21  119.62  3.000
 A6F  C19  C20  C21  121.16  3.000
 A6F  H16  C21  C22  120.13  3.000
 A6F  H16  C21  C20  119.79  3.000
 A6F  C22  C21  C20  120.08  3.000
 A6F  H17  C22  C23  120.28  3.000
 A6F  H17  C22  C21  120.31  3.000
 A6F  C23  C22  C21  119.42  3.000
 A6F  H18  C24  C23  119.18  3.000
 A6F  H18  C24  C19  119.84  3.000
 A6F  C23  C24  C19  120.99  3.000
 A6F  H20  C11  H19  106.46  3.000
 A6F  H20  C11  O12  112.06  3.000
 A6F  H19  C11  O12  110.68  3.000
 A6F  H20  C11  C2   107.84  3.000
 A6F  H19  C11  C2   108.66  3.000
 A6F  O12  C11  C2   110.96  3.000
 A6F  H22  C14  H21  106.56  3.000
 A6F  H22  C14  C15  109.48  3.000
 A6F  H21  C14  C15  110.48  3.000
 A6F  H22  C14  C13  108.02  3.000
 A6F  H21  C14  C13  109.87  3.000
 A6F  C15  C14  C13  112.23  3.000
 A6F  H23  C16  C19  107.54  3.000
 A6F  H23  C16  C17  107.17  3.000
 A6F  C19  C16  C17  112.07  3.000
 A6F  H23  C16  C15  107.28  3.000
 A6F  C19  C16  C15  111.84  3.000
 A6F  C17  C16  C15  110.66  3.000
 A6F  H25  C18  H24  105.89  3.000
 A6F  H25  C18  C17  109.63  3.000
 A6F  H24  C18  C17  110.37  3.000
 A6F  H25  C18  C13  107.76  3.000
 A6F  H24  C18  C13  110.96  3.000
 A6F  C17  C18  C13  112.01  3.000
 A6F  C16  C19  C24  121.17  3.000
 A6F  C16  C19  C20  120.69  3.000
 A6F  C24  C19  C20  118.13  3.000
 A6F  H26  C2   C3   105.36  3.000
 A6F  H26  C2   C11  104.79  3.000
 A6F  C3   C2   C11  115.41  3.000
 A6F  H26  C2   N1   107.98  3.000
 A6F  C11  C2   N1   113.02  3.000
 A6F  C3   C2   N1   109.63  3.000
 A6F  H27  C23  C24  119.74  3.000
 A6F  H27  C23  C22  120.03  3.000
 A6F  C24  C23  C22  120.23  3.000
 A6F  H30  C29  H29  109.61  3.000
 A6F  H30  C29  H28  110.12  3.000
 A6F  H29  C29  H28  110.40  3.000
 A6F  H30  C29  S26  109.61  3.000
 A6F  H29  C29  S26  108.05  3.000
 A6F  H28  C29  S26  109.01  3.000
 A6F  H31  C3   N25  107.74  3.000
 A6F  H31  C3   C2   105.35  3.000
 A6F  N25  C3   C2   108.87  3.000
 A6F  H31  C3   C4   106.84  3.000
 A6F  N25  C3   C4   112.52  3.000
 A6F  C2   C3   C4   115.02  3.000
 A6F  H32  N25  S26  111.88  3.000
 A6F  H32  N25  C3   115.64  3.000
 A6F  S26  N25  C3   120.52  3.000
 A6F  C11  O12  C13  115.22  3.000
 A6F  C10  O9   C7   116.92  3.000
 A6F  O28  S26  O27  118.66  3.000
 A6F  O27  S26  N25  106.19  3.000
 A6F  O28  S26  N25  111.63  3.000
 A6F  N25  S26  C29  102.41  3.000
 A6F  O27  S26  C29  109.28  3.000
 A6F  O28  S26  C29  107.47  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
 A6F  CONST_01  C23  C24  C19  C20     0.00   0.0  0
 A6F  CONST_02  C23  C22  C21  C20     0.00   0.0  0
 A6F  CONST_03  C24  C23  C22  C21     0.00   0.0  0
 A6F  CONST_04  C24  C19  C20  C21     0.00   0.0  0
 A6F  CONST_05  C19  C24  C23  C22     0.00   0.0  0
 A6F  CONST_06  C19  C20  C21  C22     0.00   0.0  0
 A6F  CONST_07  C16  C19  C20  C21   180.00   0.0  0
 A6F  CONST_08  C23  C24  C19  C16   180.00   0.0  0
 A6F  CONST_09  H18  C24  C19  C20   180.00   0.0  0
 A6F  CONST_10  H17  C22  C21  C20   180.00   0.0  0
 A6F  CONST_11  H27  C23  C22  C21   180.00   0.0  0
 A6F  CONST_12  H18  C24  C23  C22   180.00   0.0  0
 A6F  CONST_13  H15  C20  C21  C22   180.00   0.0  0
 A6F  CONST_14  H17  C22  C23  C24   180.00   0.0  0
 A6F  CONST_15  H15  C20  C19  C24   180.00   0.0  0
 A6F  CONST_16  H18  C24  C19  C16     0.00   0.0  0
 A6F  CONST_17  H15  C20  C19  C16     0.00   0.0  0
 A6F  CONST_18  H27  C23  C24  C19   180.00   0.0  0
 A6F  CONST_19  H16  C21  C20  C19   180.00   0.0  0
 A6F  CONST_20  H16  C21  C22  C23   180.00   0.0  0
 A6F  Var_01    C4   C5   C6   N1     55.02  30.0  1
 A6F  Var_02    C2   N1   C6   C5    -52.82  30.0  1
 A6F  Var_03    C3   C4   C5   C6    -55.25  30.0  1
 A6F  Var_04    C16  C17  C18  C13    55.85  30.0  1
 A6F  Var_05    C16  C15  C14  C13   -55.55  30.0  1
 A6F  Var_06    C7   N1   C6   C5    137.48  30.0  1
 A6F  Var_07    H3   C5   C6   N1    176.92  30.0  1
 A6F  Var_08    H4   C5   C6   N1    -66.55  30.0  1
 A6F  Var_09    H5   C6   C5   C4    -67.21  30.0  1
 A6F  Var_10    H6   C6   C5   C4    175.04  30.0  1
 A6F  Var_11    H1   C4   C5   C6   -175.11  30.0  1
 A6F  Var_12    H2   C4   C5   C6     66.41  30.0  1
 A6F  Var_13    H13  C17  C18  C13   177.41  30.0  1
 A6F  Var_14    H14  C17  C18  C13   -66.16  30.0  1
 A6F  Var_15    H11  C15  C14  C13  -177.04  30.0  1
 A6F  Var_16    H12  C15  C14  C13    66.37  30.0  1
 A6F  Var_17    H24  C18  C17  C16  -179.98  30.0  1
 A6F  Var_18    H25  C18  C17  C16   -63.72  30.0  1
 A6F  Var_19    H21  C14  C15  C16  -178.55  30.0  1
 A6F  Var_20    H22  C14  C15  C16    64.39  30.0  1
 A6F  Var_21    H5   C6   N1   C2     69.21  30.0  1
 A6F  Var_22    H6   C6   N1   C2   -173.69  30.0  1
 A6F  Var_23    H3   C5   C4   C3   -176.22  30.0  1
 A6F  Var_24    H4   C5   C4   C3     66.06  30.0  1
 A6F  Var_25    O9   C7   N1   C6    176.21  30.0  2
 A6F  Var_26    O8   C7   N1   C6     -4.31  30.0  2
 A6F  Var_27    C2   C11  O12  C13   178.05  30.0  2
 A6F  Var_28    O9   C7   N1   C2      6.92  30.0  2
 A6F  Var_29    O8   C7   N1   C2   -173.60  30.0  2
 A6F  Var_30    H5   C6   N1   C7   -100.48  30.0  1
 A6F  Var_31    H6   C6   N1   C7     16.61  30.0  1
 A6F  Var_32    C10  O9   C7   N1    179.00  30.0  1
 A6F  Var_33    C3   N25  S26  C29    83.13  30.0  3
 A6F  Var_34    O28  S26  N25  C3    -31.57  30.0  1
 A6F  Var_35    O27  S26  N25  C3   -162.29  30.0  1
 A6F  Var_36    H19  C11  O12  C13    57.34  30.0  2
 A6F  Var_37    H20  C11  O12  C13   -61.34  30.0  2
 A6F  Var_38    O8   C7   O9   C10    -0.49  30.0  3
 A6F  Var_39    H7   C10  O9   C7   -179.93  30.0  3
 A6F  Var_40    H8   C10  O9   C7    -61.29  30.0  3
 A6F  Var_41    H9   C10  O9   C7     61.38  30.0  3
 A6F  Var_42    H32  N25  S26  C29  -135.78  30.0  3
 A6F  Var_43    H28  C29  S26  N25    61.24  30.0  3
 A6F  Var_44    H29  C29  S26  N25  -178.75  30.0  3
 A6F  Var_45    H30  C29  S26  N25   -59.35  30.0  3
 A6F  Var_46    H28  C29  S26  O27   -51.06  30.0  3
 A6F  Var_47    H29  C29  S26  O27    68.95  30.0  3
 A6F  Var_48    H30  C29  S26  O27  -171.66  30.0  3
 A6F  Var_49    H32  N25  S26  O27   -21.20  30.0  3
 A6F  Var_50    H28  C29  S26  O28   178.95  30.0  3
 A6F  Var_51    H29  C29  S26  O28   -61.05  30.0  3
 A6F  Var_52    H30  C29  S26  O28    58.35  30.0  3
 A6F  Var_53    H32  N25  S26  O28   109.52  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
 A6F  chir_01  C13  O12  C18  C14  negativ
 A6F  chir_02  C16  C15  C19  C17  positiv
 A6F  chir_03  C2   N1   C3   C11  positiv
 A6F  chir_04  C3   N25  C2   C4   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
 A6F  plan-1  N1   0.020
 A6F  plan-1  C7   0.020
 A6F  plan-1  O8   0.020
 A6F  plan-1  O9   0.020
 A6F  plan-2  C20  0.020
 A6F  plan-2  C21  0.020
 A6F  plan-2  C22  0.020
 A6F  plan-2  C24  0.020
 A6F  plan-2  C16  0.020
 A6F  plan-2  C19  0.020
 A6F  plan-2  C23  0.020
 A6F  plan-2  H15  0.020
 A6F  plan-2  H16  0.020
 A6F  plan-2  H17  0.020
 A6F  plan-2  H18  0.020
 A6F  plan-2  H27  0.020

