# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 11 07:14:02 2020
#   Inital geometry file: a 142 line input string
#   Ligand name: 1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Clc1ccccc1n2c(nnc2c3ccncn3)c4ccc(cc4)N5C(=O)Nc6cc(ccc56)C#N
#
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
 97E  97E  1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile  ligand  51  36  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_97E
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
 97E  C4   C   CR6   0   0.205   5.3135  -0.5207  -0.0198
 97E  C5   C   CR16  0  -0.310   6.4920  -1.2553   0.0298
 97E  C6   C   CR16  0  -0.022   7.6641  -0.5255   0.0968
 97E  N1   N   N     0  -0.392   7.6761   0.8033   0.1179
 97E  N3   N   N     0  -0.406   5.3162   0.8069  -0.0068
 97E  CAZ  C   CR5   0   0.655  -4.5562  -2.4686   0.1033
 97E  NBB  N   NR15  0  -0.749  -5.8280  -1.9680   0.1484
 97E  CBC  C   CR56  0   0.349  -5.8200  -0.5948   0.1089
 97E  CBH  C   CR16  0  -0.293  -6.8400   0.3268   0.1208
 97E  CBG  C   CR6   0  -0.016  -6.4732   1.6768   0.0538
 97E  CBI  C   CSP   0   0.051  -7.4933   2.6720   0.0649
 97E  NBJ  N   NS    0  -0.257  -8.3170   3.4785   0.0735
 97E  CBF  C   CR16  0  -0.257  -5.1357   2.0733  -0.0276
 97E  CBE  C   CR16  0  -0.288  -4.1170   1.1319  -0.0407
 97E  CBD  C   CR56  0   0.336  -4.4774  -0.2004   0.0338
 97E  NAY  N   NR5   0  -0.699  -3.7246  -1.3541   0.0260
 97E  CAV  C   CR6   0   0.312  -2.3165  -1.4312   0.0003
 97E  CAW  C   CR16  0  -0.258  -1.6777  -2.1295  -1.0164
 97E  CAX  C   CR16  0  -0.276  -0.2965  -2.1920  -1.0373
 97E  CAU  C   CR16  0  -0.265  -1.5765  -0.8050   0.9938
 97E  CAT  C   CR16  0  -0.276  -0.1935  -0.8566   0.9614
 97E  CAS  C   CR6   0   0.023   0.4588  -1.5486  -0.0570
 97E  CAI  C   CR5   0   0.410   1.9143  -1.6506  -0.1330
 97E  NAJ  N   N     0  -0.307   2.5633  -2.7159  -0.5255
 97E  NAK  N   N     0  -0.304   3.8757  -2.4348  -0.5116
 97E  CAL  C   CR5   0   0.416   4.0248  -1.2008  -0.1182
 97E  C2   C   CR16  0   0.059   6.4957   1.4006   0.0649
 97E  NAH  N   NR5   0  -0.586   2.8032  -0.6567   0.1450
 97E  CAC  C   CR6   0   0.334   2.4934   0.6586   0.5727
 97E  CAB  C   CR6   0  -0.048   1.9527   1.5692  -0.3244
 97E  CLA  CL  CL    0  -0.093   1.7173   1.1128  -1.9692
 97E  CAG  C   CR16  0  -0.227   1.6125   2.8442   0.0976
 97E  CAF  C   CR16  0  -0.244   1.8275   3.2044   1.4193
 97E  CAE  C   CR16  0  -0.258   2.3765   2.2983   2.3168
 97E  CAD  C   CR16  0  -0.240   2.7050   1.0221   1.8925
 97E  H1   H   HCR6  0   0.289   6.4976  -2.3350   0.0217
 97E  H2   H   HCR6  0   0.289   8.6233  -1.0280   0.1395
 97E  H3   H   HNR5  0   0.430  -6.6458  -2.5538   0.2135
 97E  H4   H   HCR6  0   0.296  -7.8776   0.0282   0.1780
 97E  H5   H   HCR6  0   0.285  -4.8913   3.1247  -0.0840
 97E  H6   H   HCR6  0   0.287  -3.0836   1.4422  -0.1083
 97E  H7   H   HCR6  0   0.282  -2.2510  -2.6043  -1.8006
 97E  H8   H   HCR6  0   0.271   0.2008  -2.7241  -1.8366
 97E  H9   H   HCR6  0   0.288  -2.0757  -0.2871   1.8025
 97E  H10  H   HCR6  0   0.277   0.3612  -0.3792   1.7566
 97E  H11  H   HCR6  0   0.269   6.4919   2.4846   0.0780
 97E  H12  H   HCR6  0   0.289   1.1874   3.5504  -0.6021
 97E  H13  H   HCR6  0   0.277   1.5617   4.2009   1.7449
 97E  H14  H   HCR6  0   0.275   2.5425   2.5813   3.3470
 97E  H15  H   HCR6  0   0.287   3.1242   0.2995   2.5806
 97E  OBA  O   O     0  -0.470  -4.2048  -3.6268   0.1310

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
 97E  C5   C6   aromatic  1.382  0.020  1.382
 97E  C5   C4   aromatic  1.390  0.020  1.390
 97E  C6   N1   aromatic  1.329  0.020  1.329
 97E  NAK  NAJ  aromatic  1.342  0.020  1.342
 97E  NAK  CAL  aromatic  1.304  0.020  1.304
 97E  NAJ  CAI  aromatic  1.308  0.020  1.308
 97E  C4   CAL  single    1.460  0.020  1.460
 97E  C4   N3   aromatic  1.328  0.020  1.328
 97E  CAL  NAH  aromatic  1.363  0.020  1.363
 97E  N1   C2   aromatic  1.324  0.020  1.324
 97E  CAI  NAH  aromatic  1.362  0.020  1.362
 97E  CAI  CAS  single    1.461  0.020  1.461
 97E  CLA  CAB  single    1.723  0.020  1.723
 97E  NAH  CAC  single    1.417  0.020  1.417
 97E  N3   C2   aromatic  1.322  0.020  1.322
 97E  CAX  CAS  aromatic  1.395  0.020  1.395
 97E  CAX  CAW  aromatic  1.383  0.020  1.383
 97E  CAS  CAT  aromatic  1.393  0.020  1.393
 97E  OBA  CAZ  double    1.211  0.020  1.211
 97E  CAW  CAV  aromatic  1.389  0.020  1.389
 97E  CAT  CAU  aromatic  1.384  0.020  1.384
 97E  CAB  CAC  aromatic  1.388  0.020  1.388
 97E  CAB  CAG  aromatic  1.385  0.020  1.385
 97E  CAC  CAD  aromatic  1.385  0.020  1.385
 97E  CAV  CAU  aromatic  1.388  0.020  1.388
 97E  CAV  NAY  single    1.410  0.020  1.410
 97E  CAZ  NAY  single    1.393  0.020  1.393
 97E  CAZ  NBB  single    1.367  0.020  1.367
 97E  NAY  CBD  single    1.378  0.020  1.378
 97E  CAG  CAF  aromatic  1.387  0.020  1.387
 97E  CAD  CAE  aromatic  1.384  0.020  1.384
 97E  NBB  CBC  single    1.374  0.020  1.374
 97E  CBD  CBC  aromatic  1.401  0.020  1.401
 97E  CBD  CBE  aromatic  1.382  0.020  1.382
 97E  CAF  CAE  aromatic  1.388  0.020  1.388
 97E  CBC  CBH  aromatic  1.375  0.020  1.375
 97E  CBE  CBF  aromatic  1.387  0.020  1.387
 97E  CBH  CBG  aromatic  1.400  0.020  1.400
 97E  CBF  CBG  aromatic  1.397  0.020  1.397
 97E  CBG  CBI  single    1.425  0.020  1.425
 97E  CBI  NBJ  triple    1.153  0.020  1.153
 97E  C5   H1   single    0.930  0.020  1.080
 97E  C6   H2   single    0.930  0.020  1.080
 97E  NBB  H3   single    0.860  0.020  1.020
 97E  CBH  H4   single    0.930  0.020  1.080
 97E  CBF  H5   single    0.930  0.020  1.080
 97E  CBE  H6   single    0.930  0.020  1.080
 97E  CAW  H7   single    0.930  0.020  1.080
 97E  CAX  H8   single    0.930  0.020  1.080
 97E  CAU  H9   single    0.930  0.020  1.080
 97E  CAT  H10  single    0.930  0.020  1.080
 97E  C2   H11  single    0.930  0.020  1.080
 97E  CAG  H12  single    0.930  0.020  1.080
 97E  CAF  H13  single    0.930  0.020  1.080
 97E  CAE  H14  single    0.930  0.020  1.080
 97E  CAD  H15  single    0.930  0.020  1.080

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
 97E  CAL  C4   N3   117.91  3.000
 97E  N3   C4   C5   121.77  3.000
 97E  CAL  C4   C5   120.30  3.000
 97E  H1   C5   C6   121.59  3.000
 97E  H1   C5   C4   122.19  3.000
 97E  C6   C5   C4   116.22  3.000
 97E  H2   C6   N1   117.07  3.000
 97E  H2   C6   C5   120.50  3.000
 97E  N1   C6   C5   122.43  3.000
 97E  C2   N1   C6   116.25  3.000
 97E  C2   N3   C4   116.82  3.000
 97E  NAY  CAZ  NBB  105.32  3.000
 97E  NBB  CAZ  OBA  128.27  3.000
 97E  NAY  CAZ  OBA  126.41  3.000
 97E  H3   NBB  CBC  125.97  3.000
 97E  H3   NBB  CAZ  122.95  3.000
 97E  CBC  NBB  CAZ  111.07  3.000
 97E  CBD  CBC  CBH  121.51  3.000
 97E  CBH  CBC  NBB  131.72  3.000
 97E  CBD  CBC  NBB  106.76  3.000
 97E  H4   CBH  CBG  121.34  3.000
 97E  H4   CBH  CBC  121.82  3.000
 97E  CBG  CBH  CBC  116.84  3.000
 97E  CBF  CBG  CBI  119.17  3.000
 97E  CBI  CBG  CBH  119.04  3.000
 97E  CBF  CBG  CBH  121.80  3.000
 97E  NBJ  CBI  CBG  180.00  3.000
 97E  H5   CBF  CBE  119.58  3.000
 97E  H5   CBF  CBG  119.70  3.000
 97E  CBE  CBF  CBG  120.72  3.000
 97E  H6   CBE  CBD  121.96  3.000
 97E  H6   CBE  CBF  120.52  3.000
 97E  CBD  CBE  CBF  117.53  3.000
 97E  NAY  CBD  CBE  131.64  3.000
 97E  CBE  CBD  CBC  121.60  3.000
 97E  NAY  CBD  CBC  106.75  3.000
 97E  CAV  NAY  CBD  126.26  3.000
 97E  CBD  NAY  CAZ  110.09  3.000
 97E  CAV  NAY  CAZ  123.60  3.000
 97E  CAU  CAV  CAW  120.37  3.000
 97E  CAU  CAV  NAY  119.64  3.000
 97E  CAW  CAV  NAY  120.00  3.000
 97E  H7   CAW  CAX  119.92  3.000
 97E  H7   CAW  CAV  120.52  3.000
 97E  CAX  CAW  CAV  119.55  3.000
 97E  H8   CAX  CAS  119.84  3.000
 97E  H8   CAX  CAW  119.52  3.000
 97E  CAS  CAX  CAW  120.63  3.000
 97E  H9   CAU  CAT  119.74  3.000
 97E  H9   CAU  CAV  120.32  3.000
 97E  CAT  CAU  CAV  119.93  3.000
 97E  H10  CAT  CAS  121.12  3.000
 97E  H10  CAT  CAU  118.63  3.000
 97E  CAS  CAT  CAU  120.22  3.000
 97E  CAI  CAS  CAT  122.62  3.000
 97E  CAT  CAS  CAX  119.29  3.000
 97E  CAI  CAS  CAX  118.08  3.000
 97E  NAH  CAI  NAJ  109.38  3.000
 97E  NAH  CAI  CAS  126.06  3.000
 97E  NAJ  CAI  CAS  124.53  3.000
 97E  NAK  NAJ  CAI  108.15  3.000
 97E  CAL  NAK  NAJ  108.25  3.000
 97E  NAH  CAL  NAK  109.49  3.000
 97E  NAH  CAL  C4   126.30  3.000
 97E  NAK  CAL  C4   124.20  3.000
 97E  H11  C2   N3   116.51  3.000
 97E  H11  C2   N1   116.98  3.000
 97E  N3   C2   N1   126.51  3.000
 97E  CAC  NAH  CAL  128.66  3.000
 97E  CAC  NAH  CAI  126.59  3.000
 97E  CAL  NAH  CAI  104.73  3.000
 97E  CAD  CAC  CAB  120.21  3.000
 97E  CAD  CAC  NAH  119.85  3.000
 97E  CAB  CAC  NAH  119.93  3.000
 97E  CAG  CAB  CLA  120.06  3.000
 97E  CAG  CAB  CAC  120.17  3.000
 97E  CLA  CAB  CAC  119.76  3.000
 97E  H12  CAG  CAF  120.54  3.000
 97E  H12  CAG  CAB  120.03  3.000
 97E  CAF  CAG  CAB  119.43  3.000
 97E  H13  CAF  CAE  120.26  3.000
 97E  H13  CAF  CAG  119.22  3.000
 97E  CAE  CAF  CAG  120.52  3.000
 97E  H14  CAE  CAD  119.79  3.000
 97E  H14  CAE  CAF  120.39  3.000
 97E  CAD  CAE  CAF  119.82  3.000
 97E  H15  CAD  CAE  120.83  3.000
 97E  H15  CAD  CAC  119.32  3.000
 97E  CAE  CAD  CAC  119.85  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
 97E  CONST_01  N1   C6   C5   C4     0.00   0.0  0
 97E  CONST_02  NAJ  NAK  CAL  C4   180.00   0.0  0
 97E  CONST_03  CAI  NAH  CAL  C4   180.00   0.0  0
 97E  CONST_04  CAC  NAH  CAL  C4     0.00   0.0  0
 97E  CONST_05  N1   C2   N3   C4     0.00   0.0  0
 97E  CONST_06  C2   N1   C6   C5     0.00   0.0  0
 97E  CONST_09  C2   N3   C4   C5     0.00   0.0  0
 97E  CONST_10  CAL  C4   C5   C6   180.00   0.0  0
 97E  CONST_11  N3   C4   C5   C6     0.00   0.0  0
 97E  CONST_12  N3   C2   N1   C6     0.00   0.0  0
 97E  CONST_15  CBF  CBE  CBD  CBC    0.00   0.0  0
 97E  CONST_16  CBF  CBG  CBH  CBC    0.00   0.0  0
 97E  CONST_17  CBE  CBD  CBC  CBH    0.00   0.0  0
 97E  CONST_18  CBE  CBF  CBG  CBH    0.00   0.0  0
 97E  CONST_19  CBD  CBC  CBH  CBG    0.00   0.0  0
 97E  CONST_20  CBD  CBE  CBF  CBG    0.00   0.0  0
 97E  CONST_21  CAS  CAX  CAW  CAV    0.00   0.0  0
 97E  CONST_22  CAS  CAT  CAU  CAV    0.00   0.0  0
 97E  CONST_23  CAI  CAS  CAX  CAW  180.00   0.0  0
 97E  CONST_24  CAT  CAS  CAX  CAW    0.00   0.0  0
 97E  CONST_25  CAT  CAU  CAV  CAW    0.00   0.0  0
 97E  CONST_28  CAU  CAT  CAS  CAX    0.00   0.0  0
 97E  CONST_29  CAU  CAV  CAW  CAX    0.00   0.0  0
 97E  CONST_30  CAI  CAS  CAT  CAU  180.00   0.0  0
 97E  CONST_33  NAK  NAJ  CAI  CAS  180.00   0.0  0
 97E  CONST_34  CAL  NAH  CAI  CAS  180.00   0.0  0
 97E  CONST_35  CAC  NAH  CAI  CAS    0.00   0.0  0
 97E  CONST_36  CAL  NAK  NAJ  CAI    0.00   0.0  0
 97E  CONST_37  NAK  CAL  NAH  CAI    0.00   0.0  0
 97E  CONST_40  NAH  CAL  NAK  NAJ    0.00   0.0  0
 97E  CONST_41  CAL  NAH  CAI  NAJ    0.00   0.0  0
 97E  CONST_42  CAC  NAH  CAI  NAJ  180.00   0.0  0
 97E  CONST_43  NAH  CAI  NAJ  NAK    0.00   0.0  0
 97E  CONST_44  CAC  NAH  CAL  NAK  180.00   0.0  0
 97E  CONST_45  C2   N3   C4   CAL  180.00   0.0  0
 97E  CONST_48  CAG  CAB  CAC  NAH  180.00   0.0  0
 97E  CONST_49  CAE  CAD  CAC  NAH  180.00   0.0  0
 97E  CONST_50  CAF  CAG  CAB  CAC    0.00   0.0  0
 97E  CONST_51  CAF  CAE  CAD  CAC    0.00   0.0  0
 97E  CONST_52  CAE  CAD  CAC  CAB    0.00   0.0  0
 97E  CONST_53  CAE  CAF  CAG  CAB    0.00   0.0  0
 97E  CONST_54  CAD  CAC  CAB  CAG    0.00   0.0  0
 97E  CONST_55  CAD  CAE  CAF  CAG    0.00   0.0  0
 97E  CONST_56  CAX  CAW  CAV  NAY  180.00   0.0  0
 97E  CONST_57  CAT  CAU  CAV  NAY  180.00   0.0  0
 97E  CONST_58  CBC  CBD  NAY  CAZ    0.00   0.0  0
 97E  CONST_59  CBD  CBC  NBB  CAZ    0.00   0.0  0
 97E  CONST_60  CAV  NAY  CAZ  NBB  180.00   0.0  0
 97E  CONST_61  CBD  NAY  CAZ  NBB    0.00   0.0  0
 97E  CONST_62  NAY  CBD  CBC  NBB    0.00   0.0  0
 97E  CONST_63  NAY  CAZ  NBB  CBC    0.00   0.0  0
 97E  CONST_64  CAV  NAY  CBD  CBC  180.00   0.0  0
 97E  CONST_65  CBI  CBG  CBH  CBC  180.00   0.0  0
 97E  CONST_66  CBE  CBF  CBG  CBI  180.00   0.0  0
 97E  CONST_67  CLA  CAB  CAC  NAH    0.00   0.0  0
 97E  CONST_68  CAD  CAC  CAB  CLA  180.00   0.0  0
 97E  CONST_69  CAF  CAG  CAB  CLA  180.00   0.0  0
 97E  CONST_70  CAV  NAY  CAZ  OBA    0.00   0.0  0
 97E  CONST_71  CBD  NAY  CAZ  OBA  180.00   0.0  0
 97E  CONST_72  CBC  NBB  CAZ  OBA  180.00   0.0  0
 97E  CONST_73  H2   C6   C5   C4   180.00   0.0  0
 97E  CONST_74  H11  C2   N3   C4   180.00   0.0  0
 97E  CONST_75  H1   C5   C6   N1   180.00   0.0  0
 97E  CONST_76  H4   CBH  CBC  NBB    0.00   0.0  0
 97E  CONST_77  H6   CBE  CBD  CBC  180.00   0.0  0
 97E  CONST_78  H5   CBF  CBG  CBH  180.00   0.0  0
 97E  CONST_79  H7   CAW  CAV  NAY    0.00   0.0  0
 97E  CONST_80  H9   CAU  CAV  NAY    0.00   0.0  0
 97E  CONST_81  H8   CAX  CAW  CAV  180.00   0.0  0
 97E  CONST_82  H10  CAT  CAU  CAV  180.00   0.0  0
 97E  CONST_83  H15  CAD  CAC  NAH    0.00   0.0  0
 97E  CONST_84  H12  CAG  CAB  CAC  180.00   0.0  0
 97E  CONST_85  H14  CAE  CAD  CAC  180.00   0.0  0
 97E  CONST_86  H13  CAF  CAG  CAB  180.00   0.0  0
 97E  CONST_87  H3   NBB  CBC  CBD  180.00   0.0  0
 97E  Var_01    CAW  CAV  NAY  CAZ   59.72  30.0  2

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
 97E  plan-1  C4   0.020
 97E  plan-1  CAS  0.020
 97E  plan-1  CAI  0.020
 97E  plan-1  NAJ  0.020
 97E  plan-1  NAK  0.020
 97E  plan-1  CAL  0.020
 97E  plan-1  NAH  0.020
 97E  plan-1  CAC  0.020
 97E  plan-2  C4   0.020
 97E  plan-2  C5   0.020
 97E  plan-2  C6   0.020
 97E  plan-2  N1   0.020
 97E  plan-2  N3   0.020
 97E  plan-2  CAL  0.020
 97E  plan-2  C2   0.020
 97E  plan-2  H1   0.020
 97E  plan-2  H2   0.020
 97E  plan-2  H11  0.020
 97E  plan-3  NAY  0.020
 97E  plan-3  CAV  0.020
 97E  plan-3  CAW  0.020
 97E  plan-3  CAX  0.020
 97E  plan-3  CAU  0.020
 97E  plan-3  CAT  0.020
 97E  plan-3  CAS  0.020
 97E  plan-3  CAI  0.020
 97E  plan-3  H7   0.020
 97E  plan-3  H8   0.020
 97E  plan-3  H9   0.020
 97E  plan-3  H10  0.020
 97E  plan-4  NAH  0.020
 97E  plan-4  CAC  0.020
 97E  plan-4  CAB  0.020
 97E  plan-4  CLA  0.020
 97E  plan-4  CAG  0.020
 97E  plan-4  CAF  0.020
 97E  plan-4  CAE  0.020
 97E  plan-4  CAD  0.020
 97E  plan-4  H12  0.020
 97E  plan-4  H13  0.020
 97E  plan-4  H14  0.020
 97E  plan-4  H15  0.020
 97E  plan-5  CAZ  0.020
 97E  plan-5  NBB  0.020
 97E  plan-5  CBC  0.020
 97E  plan-5  CBH  0.020
 97E  plan-5  CBG  0.020
 97E  plan-5  CBI  0.020
 97E  plan-5  NBJ  0.020
 97E  plan-5  CBF  0.020
 97E  plan-5  CBE  0.020
 97E  plan-5  CBD  0.020
 97E  plan-5  NAY  0.020
 97E  plan-5  CAV  0.020
 97E  plan-5  H3   0.020
 97E  plan-5  H4   0.020
 97E  plan-5  H5   0.020
 97E  plan-5  H6   0.020
 97E  plan-5  OBA  0.020

