# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Aug  1 09:22:18 2022
#   Inital geometry file: a 136 line input string
#   Ligand name: (2~{S})-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc2C[C@@H](CC3(F)CCN(CC3)Cc4ccccc4F)C(=O)c2cc1OC
#
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
 H0R  H0R  "(2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one"
  ligand  57  30  .  2022-08-10  2022-08-10
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_H0R
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
 H0R  C11  C  CR5   0   0.366  14.9704  42.4969  25.0093
 H0R  C1   C  CH3   0  -0.441  20.6727  40.4086  26.9021
 H0R  C3   C  CR6   0   0.340  18.8430  40.9504  25.5033
 H0R  C4   C  CR16  0  -0.455  18.1062  41.4786  26.5529
 H0R  C5   C  CR56  0   0.104  16.8321  41.9751  26.2981
 H0R  C6   C  CR56  0  -0.026  16.3170  41.9329  25.0195
 H0R  C7   C  CR16  0  -0.420  17.0450  41.4138  23.9440
 H0R  C8   C  CR6   0   0.312  18.3082  40.9194  24.1814
 H0R  C10  C  CH3   0  -0.438  18.6436  40.3038  21.9271
 H0R  C13  C  CR15  0  -0.405  14.5685  42.7576  26.4611
 H0R  C14  C  CH2   0  -0.483  13.7730  44.0487  26.6213
 H0R  C15  C  CT    0   0.415  12.9828  44.1822  27.9186
 H0R  C17  C  CH2   0  -0.533  12.0723  45.3959  27.8892
 H0R  C18  C  CH2   0  -0.252  11.1582  45.4687  29.1161
 H0R  C21  C  CR6   0  -0.086   9.7229  44.7623  31.6114
 H0R  C22  C  CR16  0  -0.268   9.4989  43.3923  31.7429
 H0R  C23  C  CR16  0  -0.257   8.2189  42.8695  31.8329
 H0R  C24  C  CR16  0  -0.250   7.1210  43.7211  31.7876
 H0R  C25  C  CR16  0  -0.402   7.3105  45.0869  31.6504
 H0R  C26  C  CR6   0   0.507   8.6026  45.5750  31.5627
 H0R  C28  C  CH2   0  -0.285  13.2064  45.0557  30.2982
 H0R  C29  C  CH2   0  -0.492  13.8525  44.2411  29.1765
 H0R  C30  C  CH2   0  -0.497  15.8789  42.6260  27.2580
 H0R  F16  F  F     0  -0.396  12.1522  43.0442  28.0051
 H0R  F27  F  F     0  -0.314   8.7618  46.9032  31.4187
 H0R  N19  N  NT    0  -0.419  11.7716  44.8622  30.2891
 H0R  O2   O  O2    0  -0.450  20.0724  40.4410  25.6207
 H0R  O9   O  O2    0  -0.460  19.1206  40.3840  23.2542
 H0R  O12  O  O     0  -0.405  14.2790  42.7015  24.0340
 H0R  H1   H  HCH3  0   0.264  21.6493  39.9501  26.7712
 H0R  H2   H  HCH3  0   0.234  20.8048  41.4121  27.3139
 H0R  H3   H  HCH3  0   0.234  20.0913  39.8094  27.6070
 H0R  H4   H  HCR6  0   0.281  18.5077  41.5099  27.5573
 H0R  H5   H  HCR6  0   0.282  16.6063  41.3997  22.9547
 H0R  H6   H  HCH3  0   0.261  19.4329  39.8388  21.3419
 H0R  H7   H  HCH3  0   0.229  17.7416  39.6898  21.8554
 H0R  H8   H  HCH3  0   0.229  18.4297  41.2916  21.5099
 H0R  H9   H  HCR5  0   0.298  13.9215  41.9113  26.7223
 H0R  H10  H  HCH2  0   0.248  14.4427  44.9089  26.5313
 H0R  H11  H  HCH2  0   0.249  13.0647  44.1211  25.7912
 H0R  H12  H  HCH2  0   0.246  12.7105  46.2821  27.8430
 H0R  H13  H  HCH2  0   0.257  11.4677  45.4049  26.9799
 H0R  H14  H  HCH2  0   0.202  10.9126  46.5275  29.2958
 H0R  H15  H  HCH2  0   0.233  10.2129  44.9626  28.9070
 H0R  H16  H  HCH2  0   0.255  11.7033  44.8726  32.3536
 H0R  H17  H  HCH2  0   0.221  11.1537  46.3789  31.6395
 H0R  H18  H  HCR6  0   0.257  10.3556  42.7300  31.7777
 H0R  H19  H  HCR6  0   0.257   8.0759  41.8025  31.9404
 H0R  H20  H  HCR6  0   0.264   6.1168  43.3249  31.8590
 H0R  H21  H  HCR6  0   0.274   6.4705  45.7683  31.6091
 H0R  H22  H  HCH2  0   0.245  13.6029  44.7225  31.2589
 H0R  H23  H  HCH2  0   0.201  13.4844  46.1191  30.2051
 H0R  H24  H  HCH2  0   0.247  14.0580  43.2240  29.5161
 H0R  H25  H  HCH2  0   0.241  14.8159  44.6918  28.9332
 H0R  H26  H  HCH2  0   0.263  15.7600  42.0488  28.1760
 H0R  H27  H  HCH2  0   0.265  16.2634  43.6070  27.5508
 H0R  C20  C  CH2   0  -0.346  11.1331  45.2860  31.5176

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
 H0R  C10  O9   single    1.412  0.020  1.412
 H0R  O9   C8   single    1.344  0.020  1.344
 H0R  C7   C8   aromatic  1.377  0.020  1.377
 H0R  C7   C6   aromatic  1.399  0.020  1.399
 H0R  C8   C3   aromatic  1.426  0.020  1.426
 H0R  O12  C11  double    1.213  0.020  1.213
 H0R  C6   C11  single    1.460  0.020  1.460
 H0R  C6   C5   aromatic  1.379  0.020  1.379
 H0R  C11  C13  single    1.529  0.020  1.529
 H0R  C3   O2   single    1.336  0.020  1.336
 H0R  C3   C4   aromatic  1.387  0.020  1.387
 H0R  O2   C1   single    1.415  0.020  1.415
 H0R  C5   C4   aromatic  1.391  0.020  1.391
 H0R  C5   C30  single    1.501  0.020  1.501
 H0R  C13  C14  single    1.525  0.020  1.525
 H0R  C13  C30  single    1.539  0.020  1.539
 H0R  F16  C15  single    1.412  0.020  1.412
 H0R  C14  C15  single    1.525  0.020  1.525
 H0R  C17  C15  single    1.517  0.020  1.517
 H0R  C17  C18  single    1.532  0.020  1.532
 H0R  C15  C29  single    1.530  0.020  1.530
 H0R  C18  N19  single    1.456  0.020  1.456
 H0R  C29  C28  single    1.530  0.020  1.530
 H0R  N19  C28  single    1.448  0.020  1.448
 H0R  N19  C20  single    1.448  0.020  1.448
 H0R  F27  C26  single    1.345  0.020  1.345
 H0R  C20  C21  single    1.507  0.020  1.507
 H0R  C26  C21  aromatic  1.385  0.020  1.385
 H0R  C26  C25  aromatic  1.384  0.020  1.384
 H0R  C21  C22  aromatic  1.394  0.020  1.394
 H0R  C25  C24  aromatic  1.386  0.020  1.386
 H0R  C22  C23  aromatic  1.386  0.020  1.386
 H0R  C24  C23  aromatic  1.390  0.020  1.390
 H0R  C1   H1   single    0.970  0.020  1.090
 H0R  C1   H2   single    0.970  0.020  1.090
 H0R  C1   H3   single    0.970  0.020  1.090
 H0R  C4   H4   single    0.930  0.020  1.080
 H0R  C7   H5   single    0.930  0.020  1.080
 H0R  C10  H6   single    0.970  0.020  1.090
 H0R  C10  H7   single    0.970  0.020  1.090
 H0R  C10  H8   single    0.970  0.020  1.090
 H0R  C13  H9   single    0.970  0.020  1.090
 H0R  C14  H10  single    0.970  0.020  1.090
 H0R  C14  H11  single    0.970  0.020  1.090
 H0R  C17  H12  single    0.970  0.020  1.090
 H0R  C17  H13  single    0.970  0.020  1.090
 H0R  C18  H14  single    0.970  0.020  1.090
 H0R  C18  H15  single    0.970  0.020  1.090
 H0R  C20  H16  single    0.970  0.020  1.090
 H0R  C20  H17  single    0.970  0.020  1.090
 H0R  C22  H18  single    0.930  0.020  1.080
 H0R  C23  H19  single    0.930  0.020  1.080
 H0R  C24  H20  single    0.930  0.020  1.080
 H0R  C25  H21  single    0.930  0.020  1.080
 H0R  C28  H22  single    0.970  0.020  1.090
 H0R  C28  H23  single    0.970  0.020  1.090
 H0R  C29  H24  single    0.970  0.020  1.090
 H0R  C29  H25  single    0.970  0.020  1.090
 H0R  C30  H26  single    0.970  0.020  1.090
 H0R  C30  H27  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
 H0R  O12  C11  C13  125.80  3.000
 H0R  C13  C11  C6   107.56  3.000
 H0R  O12  C11  C6   126.63  3.000
 H0R  H3   C1   H2   108.95  3.000
 H0R  H3   C1   H1   108.93  3.000
 H0R  H2   C1   H1   108.91  3.000
 H0R  H3   C1   O2   111.77  3.000
 H0R  H2   C1   O2   111.81  3.000
 H0R  H1   C1   O2   106.37  3.000
 H0R  O2   C3   C8   114.72  3.000
 H0R  O2   C3   C4   124.58  3.000
 H0R  C8   C3   C4   120.70  3.000
 H0R  H4   C4   C5   119.97  3.000
 H0R  H4   C4   C3   121.09  3.000
 H0R  C5   C4   C3   118.94  3.000
 H0R  C30  C5   C6   111.65  3.000
 H0R  C30  C5   C4   128.26  3.000
 H0R  C6   C5   C4   120.07  3.000
 H0R  C7   C6   C5   122.00  3.000
 H0R  C5   C6   C11  109.82  3.000
 H0R  C7   C6   C11  128.18  3.000
 H0R  H5   C7   C8   121.65  3.000
 H0R  H5   C7   C6   119.79  3.000
 H0R  C8   C7   C6   118.56  3.000
 H0R  O9   C8   C7   125.35  3.000
 H0R  C7   C8   C3   119.73  3.000
 H0R  O9   C8   C3   114.92  3.000
 H0R  H8   C10  H7   108.72  3.000
 H0R  H8   C10  H6   108.84  3.000
 H0R  H7   C10  H6   108.87  3.000
 H0R  H8   C10  O9   111.92  3.000
 H0R  H7   C10  O9   111.85  3.000
 H0R  H6   C10  O9   106.55  3.000
 H0R  H9   C13  C30  108.23  3.000
 H0R  H9   C13  C14  108.70  3.000
 H0R  C30  C13  C14  117.52  3.000
 H0R  H9   C13  C11  104.46  3.000
 H0R  C30  C13  C11  104.67  3.000
 H0R  C14  C13  C11  112.41  3.000
 H0R  H11  C14  H10  106.38  3.000
 H0R  H11  C14  C15  107.71  3.000
 H0R  H10  C14  C15  108.56  3.000
 H0R  H11  C14  C13  108.31  3.000
 H0R  H10  C14  C13  109.75  3.000
 H0R  C15  C14  C13  115.71  3.000
 H0R  F16  C15  C29  108.37  3.000
 H0R  C29  C15  C17  109.03  3.000
 H0R  F16  C15  C17  107.04  3.000
 H0R  C29  C15  C14  114.09  3.000
 H0R  C17  C15  C14  111.37  3.000
 H0R  F16  C15  C14  106.65  3.000
 H0R  H13  C17  H12  106.34  3.000
 H0R  H13  C17  C18  109.64  3.000
 H0R  H12  C17  C18  110.11  3.000
 H0R  H13  C17  C15  110.79  3.000
 H0R  H12  C17  C15  107.40  3.000
 H0R  C18  C17  C15  112.37  3.000
 H0R  H15  C18  H14  106.47  3.000
 H0R  H15  C18  N19  109.02  3.000
 H0R  H14  C18  N19  111.27  3.000
 H0R  H15  C18  C17  109.94  3.000
 H0R  H14  C18  C17  108.02  3.000
 H0R  N19  C18  C17  111.96  3.000
 H0R  C26  C21  C22  116.74  3.000
 H0R  C22  C21  C20  119.83  3.000
 H0R  C26  C21  C20  123.42  3.000
 H0R  H18  C22  C23  119.85  3.000
 H0R  H18  C22  C21  118.47  3.000
 H0R  C23  C22  C21  121.68  3.000
 H0R  H19  C23  C24  120.20  3.000
 H0R  H19  C23  C22  120.04  3.000
 H0R  C24  C23  C22  119.76  3.000
 H0R  H20  C24  C25  119.63  3.000
 H0R  H20  C24  C23  120.43  3.000
 H0R  C25  C24  C23  119.94  3.000
 H0R  H21  C25  C26  120.01  3.000
 H0R  H21  C25  C24  121.21  3.000
 H0R  C26  C25  C24  118.79  3.000
 H0R  F27  C26  C25  117.74  3.000
 H0R  C25  C26  C21  123.09  3.000
 H0R  F27  C26  C21  119.17  3.000
 H0R  H23  C28  H22  106.09  3.000
 H0R  H23  C28  N19  112.22  3.000
 H0R  H22  C28  N19  108.96  3.000
 H0R  H23  C28  C29  110.18  3.000
 H0R  H22  C28  C29  109.23  3.000
 H0R  N19  C28  C29  110.05  3.000
 H0R  H25  C29  H24  106.73  3.000
 H0R  H25  C29  C28  108.45  3.000
 H0R  H24  C29  C28  110.34  3.000
 H0R  H25  C29  C15  109.54  3.000
 H0R  H24  C29  C15  109.07  3.000
 H0R  C28  C29  C15  112.53  3.000
 H0R  H27  C30  H26  106.72  3.000
 H0R  H27  C30  C13  111.17  3.000
 H0R  H26  C30  C13  112.84  3.000
 H0R  H27  C30  C5   109.68  3.000
 H0R  H26  C30  C5   112.20  3.000
 H0R  C13  C30  C5   104.27  3.000
 H0R  C28  N19  C20  113.11  3.000
 H0R  C20  N19  C18  112.08  3.000
 H0R  C28  N19  C18  111.53  3.000
 H0R  C3   O2   C1   118.59  3.000
 H0R  C10  O9   C8   117.81  3.000
 H0R  H17  C20  H16  106.34  3.000
 H0R  H17  C20  N19  112.12  3.000
 H0R  H16  C20  N19  107.95  3.000
 H0R  H17  C20  C21  110.84  3.000
 H0R  H16  C20  C21  108.00  3.000
 H0R  N19  C20  C21  111.33  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
 H0R  CONST_01  C6   C7   C8   C3      0.00   0.0  0
 H0R  CONST_02  C6   C5   C4   C3      0.00   0.0  0
 H0R  CONST_03  C7   C8   C3   C4      0.00   0.0  0
 H0R  CONST_04  C7   C6   C5   C4      0.00   0.0  0
 H0R  CONST_05  C8   C7   C6   C5      0.00   0.0  0
 H0R  CONST_06  C8   C3   C4   C5      0.00   0.0  0
 H0R  CONST_07  C24  C25  C26  C21     0.00   0.0  0
 H0R  CONST_08  C24  C23  C22  C21     0.00   0.0  0
 H0R  CONST_09  C25  C26  C21  C22     0.00   0.0  0
 H0R  CONST_10  C25  C24  C23  C22     0.00   0.0  0
 H0R  CONST_11  C26  C21  C22  C23     0.00   0.0  0
 H0R  CONST_12  C26  C25  C24  C23     0.00   0.0  0
 H0R  CONST_13  O9   C8   C3   C4    180.00   0.0  0
 H0R  CONST_14  O2   C3   C4   C5    180.00   0.0  0
 H0R  CONST_15  O9   C8   C7   C6    180.00   0.0  0
 H0R  CONST_16  O2   C3   C8   C7    180.00   0.0  0
 H0R  CONST_17  C25  C26  C21  C20   180.00   0.0  0
 H0R  CONST_18  C23  C22  C21  C20   180.00   0.0  0
 H0R  CONST_19  F27  C26  C21  C22   180.00   0.0  0
 H0R  CONST_20  F27  C26  C25  C24   180.00   0.0  0
 H0R  CONST_21  H5   C7   C6   C11     0.00   0.0  0
 H0R  CONST_22  H5   C7   C8   C3    180.00   0.0  0
 H0R  CONST_23  H5   C7   C6   C5    180.00   0.0  0
 H0R  CONST_24  H4   C4   C5   C6    180.00   0.0  0
 H0R  CONST_25  H4   C4   C3   C8    180.00   0.0  0
 H0R  CONST_26  H21  C25  C26  C21   180.00   0.0  0
 H0R  CONST_27  H19  C23  C22  C21   180.00   0.0  0
 H0R  CONST_28  H20  C24  C23  C22   180.00   0.0  0
 H0R  CONST_29  H21  C25  C24  C23   180.00   0.0  0
 H0R  CONST_30  H18  C22  C23  C24   180.00   0.0  0
 H0R  CONST_31  H19  C23  C24  C25   180.00   0.0  0
 H0R  CONST_32  H18  C22  C21  C26   180.00   0.0  0
 H0R  CONST_33  H20  C24  C25  C26   180.00   0.0  0
 H0R  CONST_34  H4   C4   C5   C30     0.00   0.0  0
 H0R  Var_01    C13  C30  C5   C4   -171.42  30.0  1
 H0R  Var_02    C13  C11  C6   C5     -7.22  30.0  1
 H0R  Var_03    C13  C30  C5   C6     10.28  30.0  1
 H0R  Var_04    C13  C11  C6   C7    173.01  30.0  1
 H0R  Var_05    N19  C18  C17  C15    29.85  30.0  1
 H0R  Var_06    N19  C28  C29  C15    35.67  30.0  1
 H0R  Var_07    C28  N19  C18  C17    33.76  30.0  1
 H0R  Var_08    C29  C28  N19  C18   -68.74  30.0  1
 H0R  Var_09    O12  C11  C6   C5    174.05  30.0  1
 H0R  Var_10    O12  C11  C6   C7     -5.73  30.0  1
 H0R  Var_11    C20  N19  C18  C17   161.73  30.0  1
 H0R  Var_12    C21  C20  N19  C18    67.09  30.0  3
 H0R  Var_13    C29  C28  N19  C20   163.84  30.0  1
 H0R  Var_14    C28  N19  C20  C21  -165.78  30.0  1
 H0R  Var_15    N19  C20  C21  C22    66.85  30.0  2
 H0R  Var_16    N19  C20  C21  C26  -112.56  30.0  2
 H0R  Var_17    H26  C30  C5   C4    -48.97  30.0  1
 H0R  Var_18    H27  C30  C5   C4     69.45  30.0  1
 H0R  Var_19    H26  C30  C5   C6    132.73  30.0  1
 H0R  Var_20    H27  C30  C5   C6   -108.85  30.0  1
 H0R  Var_21    H14  C18  C17  C15   152.71  30.0  1
 H0R  Var_22    H15  C18  C17  C15   -91.49  30.0  1
 H0R  Var_23    H22  C28  C29  C15   155.24  30.0  1
 H0R  Var_24    H23  C28  C29  C15   -88.59  30.0  1
 H0R  Var_25    H22  C28  N19  C18   171.51  30.0  1
 H0R  Var_26    H23  C28  N19  C18    54.33  30.0  1
 H0R  Var_27    H14  C18  N19  C28   -87.24  30.0  1
 H0R  Var_28    H15  C18  N19  C28   155.62  30.0  1
 H0R  Var_29    H12  C17  C18  N19   -89.82  30.0  1
 H0R  Var_30    H13  C17  C18  N19   153.52  30.0  1
 H0R  Var_31    H24  C29  C28  N19   -86.41  30.0  1
 H0R  Var_32    H25  C29  C28  N19   157.01  30.0  1
 H0R  Var_33    C8   C3   O2   C1   -178.88  30.0  2
 H0R  Var_34    C4   C3   O2   C1      1.14  30.0  2
 H0R  Var_35    C10  O9   C8   C3    179.04  30.0  2
 H0R  Var_36    C10  O9   C8   C7     -0.74  30.0  2
 H0R  Var_37    H16  C20  N19  C18  -174.54  30.0  3
 H0R  Var_38    H17  C20  N19  C18   -57.74  30.0  3
 H0R  Var_39    H14  C18  N19  C20    40.74  30.0  1
 H0R  Var_40    H15  C18  N19  C20   -76.40  30.0  1
 H0R  Var_41    H22  C28  N19  C20    44.09  30.0  1
 H0R  Var_42    H23  C28  N19  C20   -73.09  30.0  1
 H0R  Var_43    H16  C20  C21  C22   -51.49  30.0  2
 H0R  Var_44    H17  C20  C21  C22  -167.62  30.0  2
 H0R  Var_45    H16  C20  C21  C26   129.10  30.0  2
 H0R  Var_46    H17  C20  C21  C26    12.98  30.0  2
 H0R  Var_47    H16  C20  N19  C28   -47.40  30.0  3
 H0R  Var_48    H17  C20  N19  C28    69.40  30.0  3
 H0R  Var_49    H1   C1   O2   C3    179.29  30.0  3
 H0R  Var_50    H2   C1   O2   C3    -61.93  30.0  3
 H0R  Var_51    H3   C1   O2   C3     60.51  30.0  3
 H0R  Var_52    H6   C10  O9   C8   -179.43  30.0  3
 H0R  Var_53    H7   C10  O9   C8    -60.58  30.0  3
 H0R  Var_54    H8   C10  O9   C8     61.70  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
 H0R  chir_01  C13  C11  C14  C30  positiv
 H0R  chir_02  C15  C14  C17  C29  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
 H0R  plan-1  C21  0.020
 H0R  plan-1  C22  0.020
 H0R  plan-1  C23  0.020
 H0R  plan-1  C24  0.020
 H0R  plan-1  C25  0.020
 H0R  plan-1  C26  0.020
 H0R  plan-1  F27  0.020
 H0R  plan-1  H18  0.020
 H0R  plan-1  H19  0.020
 H0R  plan-1  H20  0.020
 H0R  plan-1  H21  0.020
 H0R  plan-1  C20  0.020
 H0R  plan-2  C11  0.020
 H0R  plan-2  C3   0.020
 H0R  plan-2  C4   0.020
 H0R  plan-2  C5   0.020
 H0R  plan-2  C6   0.020
 H0R  plan-2  C7   0.020
 H0R  plan-2  C8   0.020
 H0R  plan-2  C30  0.020
 H0R  plan-2  O2   0.020
 H0R  plan-2  O9   0.020
 H0R  plan-2  H4   0.020
 H0R  plan-2  H5   0.020
 H0R  plan-3  C11  0.020
 H0R  plan-3  C6   0.020
 H0R  plan-3  C13  0.020
 H0R  plan-3  O12  0.020

