# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr  7 19:18:52 2020
#   Inital geometry file: a 154 line input string
#   Ligand name: N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O=C(NCc1ccc(cc1)[S](=O)(=O)C2CCN(CC2)C3CCOCC3)n4cc5ccncc5c4
#
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
 1R7  1R7  N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide  ligand  64  34  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_1R7
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
 1R7  C4   C  CR16  0  -0.213  -0.2014  -2.2349   0.9309
 1R7  C5   C  CR16  0  -0.284  -1.5142  -2.1621   0.4963
 1R7  C6   C  CR6   0   0.127  -1.8774  -2.6597  -0.7523
 1R7  C7   C  CH2   0  -0.362  -3.3089  -2.6240  -1.2266
 1R7  C13  C  CR56  0   0.093  -6.6087   1.6990   1.0274
 1R7  C15  C  CR16  0  -0.105  -7.7244   3.7931   1.1160
 1R7  C17  C  CR16  0  -0.094  -6.9217   3.1344  -0.9386
 1R7  C24  C  CH2   0  -0.430   4.7141  -1.4666   0.1842
 1R7  C28  C  CH2   0  -0.435   2.6328  -0.1414   0.4978
 1R7  C1   C  CR16  0  -0.293  -0.9024  -3.2343  -1.5622
 1R7  C2   C  CR16  0  -0.213   0.4148  -3.3177  -1.1406
 1R7  C3   C  CR6   0  -0.184   0.7551  -2.8104   0.1052
 1R7  N8   N  NH1   0  -0.656  -3.9910  -1.3872  -0.9258
 1R7  C9   C  C     0   0.782  -4.8577  -1.2667   0.0845
 1R7  O10  O  O     0  -0.468  -5.1102  -2.1144   0.9108
 1R7  N11  N  NR5   0  -0.534  -5.5125  -0.0020   0.1476
 1R7  C12  C  CR15  0  -0.071  -6.0443   0.4781   1.3165
 1R7  C14  C  CR16  0  -0.389  -7.2935   2.6875   1.7806
 1R7  N16  N  N     0  -0.421  -7.5473   4.0206  -0.2249
 1R7  C18  C  CR56  0  -0.100  -6.4123   1.9378  -0.3732
 1R7  C19  C  CR15  0  -0.083  -5.7261   0.8588  -0.8889
 1R7  S20  S  S     0   1.224   2.4429  -2.8932   0.6408
 1R7  O21  O  OS    0  -0.669   2.4674  -2.7816   2.1001
 1R7  O22  O  OS    0  -0.670   3.0606  -4.0662   0.0211
 1R7  C23  C  CH1   0  -0.451   3.2131  -1.4254  -0.0671
 1R7  C25  C  CH2   0  -0.289   5.3582  -0.2101  -0.3860
 1R7  N26  N  NT    0  -0.429   4.7964   1.0031   0.1857
 1R7  C27  C  CH2   0  -0.284   3.3684   1.0581  -0.0847
 1R7  C29  C  CH1   0  -0.024   5.4961   2.2086  -0.2657
 1R7  C30  C  CH2   0  -0.490   4.9176   3.4710   0.3806
 1R7  C31  C  CH2   0  -0.179   5.7385   4.7029   0.0351
 1R7  O32  O  O2    0  -0.480   7.0929   4.5684   0.3964
 1R7  C33  C  CH2   0  -0.179   7.6806   3.4697  -0.2601
 1R7  C34  C  CH2   0  -0.490   6.9899   2.1554   0.0677
 1R7  H1   H  HCR6  0   0.286   0.0659  -1.8477   1.9045
 1R7  H2   H  HCR6  0   0.269  -2.2534  -1.7161   1.1484
 1R7  H3   H  HCH2  0   0.287  -3.3436  -2.7777  -2.3054
 1R7  H4   H  HCH2  0   0.289  -3.8636  -3.4474  -0.7759
 1R7  H6   H  HCR6  0   0.261  -6.7946   3.3375  -1.9981
 1R7  H7   H  HCH2  0   0.246   4.9125  -1.5205   1.2576
 1R7  H8   H  HCH2  0   0.264   5.1694  -2.3384  -0.2859
 1R7  H9   H  HCH2  0   0.262   1.5710  -0.0437   0.2652
 1R7  H10  H  HCH2  0   0.247   2.7388  -0.1313   1.5847
 1R7  H11  H  HCR6  0   0.272  -1.1712  -3.6235  -2.5363
 1R7  H12  H  HCR6  0   0.285   1.1581  -3.7721  -1.7819
 1R7  H13  H  HNH1  0   0.428  -3.7335  -0.5791  -1.4711
 1R7  H14  H  HCR5  0   0.300  -5.9582  -0.0661   2.2409
 1R7  H15  H  HCR6  0   0.261  -7.4723   2.5745   2.8416
 1R7  H16  H  HCR5  0   0.314  -5.4313   0.6371  -1.9007
 1R7  H17  H  HCH1  0   0.305   3.0114  -1.4957  -1.1420
 1R7  H18  H  HCH2  0   0.257   6.4224  -0.2670  -0.1652
 1R7  H19  H  HCH2  0   0.197   5.2603  -0.2228  -1.4860
 1R7  H21  H  HCH2  0   0.197   3.1631   1.1248  -1.1676
 1R7  H22  H  HCH2  0   0.257   2.9386   1.9475   0.3719
 1R7  H23  H  HCH1  0   0.190   5.3989   2.3173  -1.3631
 1R7  H24  H  HCH2  0   0.245   3.8964   3.6631   0.0475
 1R7  H25  H  HCH2  0   0.228   4.8864   3.3336   1.4662
 1R7  H26  H  HCH2  0   0.196   5.6521   4.9096  -1.0424
 1R7  H27  H  HCH2  0   0.238   5.3475   5.5732   0.5646
 1R7  H28  H  HCH2  0   0.196   7.6641   3.6262  -1.3495
 1R7  H29  H  HCH2  0   0.238   8.7269   3.4303   0.0470
 1R7  H30  H  HCH2  0   0.228   7.1119   1.9192   1.1298
 1R7  H31  H  HCH2  0   0.244   7.5036   1.3771  -0.4986
 1R7  H5   H  HCR6  0   0.257  -8.2532   4.5748   1.6476

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
 1R7  O32  C33  single    1.408  0.020  1.408
 1R7  O32  C31  single    1.408  0.020  1.408
 1R7  C33  C34  single    1.520  0.020  1.520
 1R7  C31  C30  single    1.520  0.020  1.520
 1R7  C34  C29  single    1.532  0.020  1.532
 1R7  C30  C29  single    1.532  0.020  1.532
 1R7  C29  N26  single    1.465  0.020  1.465
 1R7  N26  C25  single    1.454  0.020  1.454
 1R7  N26  C27  single    1.454  0.020  1.454
 1R7  C25  C24  single    1.523  0.020  1.523
 1R7  C27  C28  single    1.523  0.020  1.523
 1R7  C24  C23  single    1.522  0.020  1.522
 1R7  C28  C23  single    1.518  0.020  1.518
 1R7  C23  S20  single    1.802  0.020  1.802
 1R7  O22  S20  double    1.463  0.020  1.463
 1R7  S20  O21  double    1.464  0.020  1.464
 1R7  S20  C3   single    1.773  0.020  1.773
 1R7  C2   C3   aromatic  1.387  0.020  1.387
 1R7  C2   C1   aromatic  1.386  0.020  1.386
 1R7  C3   C4   aromatic  1.388  0.020  1.388
 1R7  C1   C6   aromatic  1.392  0.020  1.392
 1R7  C4   C5   aromatic  1.385  0.020  1.385
 1R7  C6   C5   aromatic  1.392  0.020  1.392
 1R7  C6   C7   single    1.508  0.020  1.508
 1R7  C7   N8   single    1.444  0.020  1.444
 1R7  O10  C9   double    1.210  0.020  1.210
 1R7  N8   C9   single    1.337  0.020  1.337
 1R7  C9   N11  single    1.426  0.020  1.426
 1R7  N11  C19  aromatic  1.364  0.020  1.364
 1R7  N11  C12  aromatic  1.371  0.020  1.371
 1R7  C19  C18  aromatic  1.379  0.020  1.379
 1R7  C12  C13  aromatic  1.376  0.020  1.376
 1R7  C18  C13  aromatic  1.434  0.020  1.434
 1R7  C18  C17  aromatic  1.418  0.020  1.418
 1R7  C13  C14  aromatic  1.419  0.020  1.419
 1R7  C17  N16  aromatic  1.299  0.020  1.299
 1R7  C14  C15  aromatic  1.360  0.020  1.360
 1R7  N16  C15  aromatic  1.372  0.020  1.372
 1R7  C4   H1   single    0.930  0.020  1.080
 1R7  C5   H2   single    0.930  0.020  1.080
 1R7  C7   H3   single    0.970  0.020  1.090
 1R7  C7   H4   single    0.970  0.020  1.090
 1R7  C15  H5   single    0.930  0.020  1.080
 1R7  C17  H6   single    0.930  0.020  1.080
 1R7  C24  H7   single    0.970  0.020  1.090
 1R7  C24  H8   single    0.970  0.020  1.090
 1R7  C28  H9   single    0.970  0.020  1.090
 1R7  C28  H10  single    0.970  0.020  1.090
 1R7  C1   H11  single    0.930  0.020  1.080
 1R7  C2   H12  single    0.930  0.020  1.080
 1R7  N8   H13  single    0.860  0.020  1.020
 1R7  C12  H14  single    0.930  0.020  1.080
 1R7  C14  H15  single    0.930  0.020  1.080
 1R7  C19  H16  single    0.930  0.020  1.080
 1R7  C23  H17  single    0.970  0.020  1.090
 1R7  C25  H18  single    0.970  0.020  1.090
 1R7  C25  H19  single    0.970  0.020  1.090
 1R7  C27  H21  single    0.970  0.020  1.090
 1R7  C27  H22  single    0.970  0.020  1.090
 1R7  C29  H23  single    0.970  0.020  1.090
 1R7  C30  H24  single    0.970  0.020  1.090
 1R7  C30  H25  single    0.970  0.020  1.090
 1R7  C31  H26  single    0.970  0.020  1.090
 1R7  C31  H27  single    0.970  0.020  1.090
 1R7  C33  H28  single    0.970  0.020  1.090
 1R7  C33  H29  single    0.970  0.020  1.090
 1R7  C34  H30  single    0.970  0.020  1.090
 1R7  C34  H31  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
 1R7  H1   C4   C3   120.90  3.000
 1R7  H1   C4   C5   119.87  3.000
 1R7  C3   C4   C5   119.22  3.000
 1R7  H2   C5   C6   120.64  3.000
 1R7  H2   C5   C4   118.70  3.000
 1R7  C6   C5   C4   120.66  3.000
 1R7  C1   C6   C7   119.45  3.000
 1R7  C7   C6   C5   121.40  3.000
 1R7  C1   C6   C5   119.13  3.000
 1R7  H4   C7   H3   106.64  3.000
 1R7  H4   C7   N8   108.69  3.000
 1R7  H3   C7   N8   108.18  3.000
 1R7  H4   C7   C6   109.56  3.000
 1R7  H3   C7   C6   109.75  3.000
 1R7  N8   C7   C6   113.77  3.000
 1R7  C18  C13  C14  117.93  3.000
 1R7  C14  C13  C12  134.80  3.000
 1R7  C18  C13  C12  107.26  3.000
 1R7  H5   C15  N16  115.03  3.000
 1R7  H5   C15  C14  120.10  3.000
 1R7  N16  C15  C14  124.87  3.000
 1R7  H6   C17  C18  120.31  3.000
 1R7  H6   C17  N16  117.70  3.000
 1R7  C18  C17  N16  122.00  3.000
 1R7  H8   C24  H7   107.96  3.000
 1R7  H8   C24  C25  108.77  3.000
 1R7  H7   C24  C25  109.37  3.000
 1R7  H8   C24  C23  111.24  3.000
 1R7  H7   C24  C23  110.02  3.000
 1R7  C25  C24  C23  109.45  3.000
 1R7  H10  C28  H9   107.80  3.000
 1R7  H10  C28  C27  109.06  3.000
 1R7  H9   C28  C27  108.54  3.000
 1R7  H10  C28  C23  109.94  3.000
 1R7  H9   C28  C23  111.61  3.000
 1R7  C27  C28  C23  109.83  3.000
 1R7  H11  C1   C2   119.22  3.000
 1R7  H11  C1   C6   119.86  3.000
 1R7  C2   C1   C6   120.92  3.000
 1R7  H12  C2   C3   121.15  3.000
 1R7  H12  C2   C1   119.87  3.000
 1R7  C3   C2   C1   118.97  3.000
 1R7  S20  C3   C2   119.19  3.000
 1R7  C2   C3   C4   121.10  3.000
 1R7  S20  C3   C4   119.71  3.000
 1R7  H13  N8   C9   120.14  3.000
 1R7  H13  N8   C7   116.94  3.000
 1R7  C9   N8   C7   122.75  3.000
 1R7  N11  C9   O10  119.68  3.000
 1R7  N11  C9   N8   114.29  3.000
 1R7  O10  C9   N8   126.03  3.000
 1R7  C19  N11  C12  111.47  3.000
 1R7  C12  N11  C9   121.78  3.000
 1R7  C19  N11  C9   126.73  3.000
 1R7  H14  C12  N11  121.62  3.000
 1R7  H14  C12  C13  131.46  3.000
 1R7  N11  C12  C13  106.90  3.000
 1R7  H15  C14  C15  120.79  3.000
 1R7  H15  C14  C13  121.83  3.000
 1R7  C15  C14  C13  117.38  3.000
 1R7  C17  N16  C15  119.10  3.000
 1R7  C19  C18  C17  133.63  3.000
 1R7  C17  C18  C13  118.72  3.000
 1R7  C19  C18  C13  107.65  3.000
 1R7  H16  C19  C18  130.45  3.000
 1R7  H16  C19  N11  122.75  3.000
 1R7  C18  C19  N11  106.71  3.000
 1R7  C23  S20  O22  107.82  3.000
 1R7  O22  S20  O21  118.44  3.000
 1R7  C23  S20  O21  108.80  3.000
 1R7  O21  S20  C3   108.28  3.000
 1R7  O22  S20  C3   108.14  3.000
 1R7  C23  S20  C3   104.48  3.000
 1R7  H17  C23  S20  104.73  3.000
 1R7  H17  C23  C28  110.42  3.000
 1R7  S20  C23  C28  112.29  3.000
 1R7  H17  C23  C24  109.98  3.000
 1R7  S20  C23  C24  109.53  3.000
 1R7  C28  C23  C24  109.77  3.000
 1R7  H19  C25  H18  106.75  3.000
 1R7  H19  C25  N26  111.53  3.000
 1R7  H18  C25  N26  109.97  3.000
 1R7  H19  C25  C24  109.02  3.000
 1R7  H18  C25  C24  107.13  3.000
 1R7  N26  C25  C24  112.20  3.000
 1R7  C29  N26  C27  112.36  3.000
 1R7  C27  N26  C25  109.74  3.000
 1R7  C29  N26  C25  112.38  3.000
 1R7  H22  C27  H21  106.78  3.000
 1R7  H22  C27  N26  109.92  3.000
 1R7  H21  C27  N26  111.54  3.000
 1R7  H22  C27  C28  107.00  3.000
 1R7  H21  C27  C28  109.44  3.000
 1R7  N26  C27  C28  111.92  3.000
 1R7  H23  C29  C34  107.75  3.000
 1R7  H23  C29  C30  107.71  3.000
 1R7  C34  C29  C30  107.77  3.000
 1R7  H23  C29  N26  110.14  3.000
 1R7  C30  C29  N26  111.58  3.000
 1R7  C34  C29  N26  111.72  3.000
 1R7  H25  C30  H24  107.34  3.000
 1R7  H25  C30  C31  110.02  3.000
 1R7  H24  C30  C31  107.06  3.000
 1R7  H25  C30  C29  109.01  3.000
 1R7  H24  C30  C29  111.70  3.000
 1R7  C31  C30  C29  111.60  3.000
 1R7  H27  C31  H26  107.29  3.000
 1R7  H27  C31  O32  107.23  3.000
 1R7  H26  C31  O32  110.16  3.000
 1R7  H27  C31  C30  110.04  3.000
 1R7  H26  C31  C30  109.41  3.000
 1R7  O32  C31  C30  112.56  3.000
 1R7  C33  O32  C31  110.87  3.000
 1R7  H29  C33  H28  107.33  3.000
 1R7  H29  C33  C34  110.11  3.000
 1R7  H28  C33  C34  109.24  3.000
 1R7  H29  C33  O32  107.28  3.000
 1R7  H28  C33  O32  110.13  3.000
 1R7  C34  C33  O32  112.60  3.000
 1R7  H31  C34  H30  107.29  3.000
 1R7  H31  C34  C33  106.91  3.000
 1R7  H30  C34  C33  110.18  3.000
 1R7  H31  C34  C29  111.78  3.000
 1R7  H30  C34  C29  109.11  3.000
 1R7  C33  C34  C29  111.47  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
 1R7  CONST_01  C1   C2   C3   C4      0.00   0.0  0
 1R7  CONST_02  C1   C6   C5   C4      0.00   0.0  0
 1R7  CONST_03  C2   C3   C4   C5      0.00   0.0  0
 1R7  CONST_04  C2   C1   C6   C5      0.00   0.0  0
 1R7  CONST_05  C3   C2   C1   C6      0.00   0.0  0
 1R7  CONST_06  C3   C4   C5   C6      0.00   0.0  0
 1R7  CONST_07  C19  N11  C12  C13     0.00   0.0  0
 1R7  CONST_08  N11  C19  C18  C13     0.00   0.0  0
 1R7  CONST_09  N16  C17  C18  C13     0.00   0.0  0
 1R7  CONST_10  N16  C15  C14  C13     0.00   0.0  0
 1R7  CONST_11  C12  C13  C14  C15   180.00   0.0  0
 1R7  CONST_12  C18  C13  C14  C15     0.00   0.0  0
 1R7  CONST_13  C18  C17  N16  C15     0.00   0.0  0
 1R7  CONST_14  N11  C19  C18  C17   180.00   0.0  0
 1R7  CONST_15  C12  C13  C18  C17   180.00   0.0  0
 1R7  CONST_16  C14  C13  C18  C17     0.00   0.0  0
 1R7  CONST_17  C14  C15  N16  C17     0.00   0.0  0
 1R7  CONST_18  C18  C13  C12  N11     0.00   0.0  0
 1R7  CONST_19  C14  C13  C12  N11   180.00   0.0  0
 1R7  CONST_20  C18  C19  N11  C12     0.00   0.0  0
 1R7  CONST_21  C19  C18  C13  C12     0.00   0.0  0
 1R7  CONST_22  C19  C18  C13  C14   180.00   0.0  0
 1R7  CONST_23  C19  C18  C17  N16   180.00   0.0  0
 1R7  CONST_24  C7   C6   C5   C4    180.00   0.0  0
 1R7  CONST_25  S20  C3   C4   C5    180.00   0.0  0
 1R7  CONST_26  C2   C1   C6   C7    180.00   0.0  0
 1R7  CONST_27  C9   N11  C12  C13   180.00   0.0  0
 1R7  CONST_28  S20  C3   C2   C1    180.00   0.0  0
 1R7  CONST_29  C18  C19  N11  C9    180.00   0.0  0
 1R7  CONST_30  H12  C2   C3   C4    180.00   0.0  0
 1R7  CONST_31  H11  C1   C6   C5    180.00   0.0  0
 1R7  CONST_32  H1   C4   C5   C6    180.00   0.0  0
 1R7  CONST_33  H16  C19  C18  C13   180.00   0.0  0
 1R7  CONST_34  H6   C17  C18  C13   180.00   0.0  0
 1R7  CONST_35  H5   C15  C14  C13   180.00   0.0  0
 1R7  CONST_36  H2   C5   C6   C1    180.00   0.0  0
 1R7  CONST_37  H15  C14  C13  C12     0.00   0.0  0
 1R7  CONST_38  H14  C12  C13  C14     0.00   0.0  0
 1R7  CONST_43  N11  C9   N8   C7    180.00   0.0  0
 1R7  CONST_44  H13  N8   C9   N11     0.00   0.0  0
 1R7  CONST_45  O10  C9   N8   C7      0.00   0.0  0
 1R7  Var_01    C29  N26  C25  C24   174.68  30.0  1
 1R7  Var_02    N26  C25  C24  C23    57.87  30.0  1
 1R7  Var_03    N26  C27  C28  C23   -57.82  30.0  1
 1R7  Var_04    O32  C33  C34  C29    56.57  30.0  1
 1R7  Var_05    O32  C31  C30  C29   -56.42  30.0  1
 1R7  Var_06    C34  C33  O32  C31   -59.64  30.0  1
 1R7  Var_07    C23  S20  C3   C4    -94.53  30.0  3
 1R7  Var_08    N8   C7   C6   C5     42.09  30.0  2
 1R7  Var_09    C9   N8   C7   C6   -102.14  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
 1R7  chir_01  C23  C24  C28  S20  positiv
 1R7  chir_02  C29  N26  C34  C30  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
 1R7  plan-1  C4   0.020
 1R7  plan-1  C5   0.020
 1R7  plan-1  C6   0.020
 1R7  plan-1  C7   0.020
 1R7  plan-1  C1   0.020
 1R7  plan-1  C2   0.020
 1R7  plan-1  C3   0.020
 1R7  plan-1  S20  0.020
 1R7  plan-1  H1   0.020
 1R7  plan-1  H2   0.020
 1R7  plan-1  H11  0.020
 1R7  plan-1  H12  0.020
 1R7  plan-2  C7   0.020
 1R7  plan-2  C13  0.020
 1R7  plan-2  C15  0.020
 1R7  plan-2  C17  0.020
 1R7  plan-2  N8   0.020
 1R7  plan-2  C9   0.020
 1R7  plan-2  O10  0.020
 1R7  plan-2  N11  0.020
 1R7  plan-2  C12  0.020
 1R7  plan-2  C14  0.020
 1R7  plan-2  N16  0.020
 1R7  plan-2  C18  0.020
 1R7  plan-2  C19  0.020
 1R7  plan-2  H6   0.020
 1R7  plan-2  H13  0.020
 1R7  plan-2  H14  0.020
 1R7  plan-2  H15  0.020
 1R7  plan-2  H16  0.020
 1R7  plan-2  H5   0.020

