# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 28 08:45:36 2020
#   Inital geometry file: a 143 line input string
#   Ligand name: (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1ncc(cn1)c2ccn3ncc(c4ccc5NC(=O)[C@@](C)(Cc6ccccc6)c5c4)c3n2
#
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
 P5J  P5J  (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one  ligand  56  34  .  2021-08-19  2021-08-19  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_P5J
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
 P5J  C1   C  CR6   0   0.270   4.5090   0.6405   0.4683
 P5J  C2   C  CR16  0  -0.415   5.0406   1.8422   1.0160
 P5J  C3   C  CR16  0   0.091   4.2092   2.8967   1.2092
 P5J  C5   C  CR56  0   0.586   2.4398   1.5754   0.3206
 P5J  C7   C  CR5   0  -0.216   1.0802   1.7805   0.0863
 P5J  C8   C  CR15  0  -0.067   0.8725   3.0979   0.5254
 P5J  C11  C  CR16  0  -0.364   0.4791  -0.2594  -1.2174
 P5J  C12  C  CR16  0  -0.286  -0.4525  -1.1475  -1.7450
 P5J  C15  C  CR16  0  -0.423  -1.2731   1.0748  -0.2422
 P5J  C16  C  CR5   0  -0.319  -3.7016   0.1767  -0.6383
 P5J  C17  C  CR5   0   0.584  -4.0667  -1.0294  -1.5134
 P5J  C21  C  CR6   0   0.156  -5.5137  -0.3059   1.1604
 P5J  C23  C  CR16  0  -0.246  -7.4002  -1.7755   1.5298
 P5J  C24  C  CR16  0  -0.271  -8.2183  -0.6827   1.7878
 P5J  C27  C  CH3   0  -0.645  -4.3737   1.4372  -1.1716
 P5J  C31  C  CR6   0   0.359   6.8795  -2.7073  -0.2048
 P5J  C33  C  CR16  0  -0.021   4.9782  -1.5484  -0.6371
 P5J  C34  C  CH3   0  -0.730   7.7266  -3.9053  -0.4776
 P5J  N4   N  N     0  -0.367   2.9117   2.7576   0.8659
 P5J  N6   N  N     0  -0.465   3.2476   0.5286   0.1349
 P5J  N9   N  N     0  -0.294   1.9657   3.6827   0.9906
 P5J  C10  C  CR6   0   0.107   0.0961   0.8541  -0.4648
 P5J  C13  C  CR56  0   0.352  -1.7898  -0.8978  -1.5077
 P5J  C14  C  CR56  0   0.150  -2.2017   0.2056  -0.7651
 P5J  N19  N  NR15  0  -0.736  -2.9048  -1.6159  -1.9159
 P5J  C20  C  CH2   0  -0.499  -4.0580  -0.1078   0.8463
 P5J  C22  C  CR16  0  -0.298  -6.0613  -1.5857   1.2186
 P5J  C25  C  CR16  0  -0.243  -7.6832   0.5979   1.7423
 P5J  C26  C  CR16  0  -0.310  -6.3412   0.7808   1.4361
 P5J  C28  C  CR6   0  -0.084   5.3612  -0.5332   0.2383
 P5J  C29  C  CR16  0  -0.048   6.5827  -0.7309   0.8685
 P5J  N30  N  N     0  -0.404   7.3331  -1.8008   0.6536
 P5J  N32  N  N     0  -0.403   5.7207  -2.6160  -0.8583
 P5J  H1   H  HCR6  0   0.294   6.0850   1.9470   1.2655
 P5J  H2   H  HCR6  0   0.332   4.5129   3.8500   1.6162
 P5J  H3   H  HCR5  0   0.276  -0.0517   3.6565   0.5107
 P5J  H4   H  HCR6  0   0.266   1.5282  -0.4449  -1.4006
 P5J  H5   H  HCR6  0   0.266  -0.1282  -2.0035  -2.3221
 P5J  H6   H  HCR6  0   0.245  -1.5969   1.9237   0.3492
 P5J  H7   H  HCR6  0   0.252  -7.8045  -2.7787   1.5756
 P5J  H8   H  HCR6  0   0.253  -9.2629  -0.8293   2.0303
 P5J  H9   H  HCH3  0   0.250  -5.4588   1.3475  -1.1402
 P5J  H10  H  HCH3  0   0.242  -4.0864   2.3034  -0.5738
 P5J  H11  H  HCH3  0   0.249  -4.0784   1.6294  -2.2032
 P5J  H12  H  HCR6  0   0.284   4.0406  -1.4807  -1.1777
 P5J  H13  H  HCH3  0   0.265   8.1936  -3.8154  -1.4608
 P5J  H14  H  HCH3  0   0.254   8.5147  -4.0067   0.2639
 P5J  H15  H  HCH3  0   0.258   7.1236  -4.8122  -0.4914
 P5J  H16  H  HNR5  0   0.409  -2.8737  -2.4288  -2.5130
 P5J  H17  H  HCH2  0   0.266  -3.4914  -0.9836   1.1728
 P5J  H18  H  HCH2  0   0.267  -3.6747   0.7374   1.4236
 P5J  H19  H  HCR6  0   0.244  -5.4311  -2.4464   1.0281
 P5J  H20  H  HCR6  0   0.253  -8.3081   1.4565   1.9527
 P5J  H21  H  HCR6  0   0.247  -5.9293   1.7832   1.4205
 P5J  H22  H  HCR6  0   0.276   6.9699  -0.0158   1.5862
 P5J  O18  O  O     0  -0.445  -5.1829  -1.3989  -1.8069

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
 P5J  C34  C31  single    1.492  0.020  1.492
 P5J  C31  N32  aromatic  1.334  0.020  1.334
 P5J  C31  N30  aromatic  1.328  0.020  1.328
 P5J  N32  C33  aromatic  1.319  0.020  1.319
 P5J  N30  C29  aromatic  1.324  0.020  1.324
 P5J  C33  C28  aromatic  1.394  0.020  1.394
 P5J  C29  C28  aromatic  1.389  0.020  1.389
 P5J  C25  C24  aromatic  1.389  0.020  1.389
 P5J  C25  C26  aromatic  1.389  0.020  1.389
 P5J  C28  C1   single    1.469  0.020  1.469
 P5J  C24  C23  aromatic  1.389  0.020  1.389
 P5J  C2   C1   aromatic  1.424  0.020  1.424
 P5J  C2   C3   aromatic  1.357  0.020  1.357
 P5J  C1   N6   aromatic  1.310  0.020  1.310
 P5J  C3   N4   aromatic  1.349  0.020  1.349
 P5J  C26  C21  aromatic  1.394  0.020  1.394
 P5J  N6   C5   aromatic  1.335  0.020  1.335
 P5J  N4   C5   aromatic  1.385  0.020  1.385
 P5J  N4   N9   aromatic  1.329  0.020  1.329
 P5J  C23  C22  aromatic  1.388  0.020  1.388
 P5J  C5   C7   aromatic  1.395  0.020  1.395
 P5J  N9   C8   aromatic  1.324  0.020  1.324
 P5J  C7   C8   aromatic  1.404  0.020  1.404
 P5J  C7   C10  single    1.460  0.020  1.460
 P5J  C21  C22  aromatic  1.393  0.020  1.393
 P5J  C21  C20  single    1.502  0.020  1.502
 P5J  C10  C11  aromatic  1.397  0.020  1.397
 P5J  C10  C15  aromatic  1.405  0.020  1.405
 P5J  C11  C12  aromatic  1.391  0.020  1.391
 P5J  C15  C14  aromatic  1.375  0.020  1.375
 P5J  C20  C16  single    1.553  0.020  1.553
 P5J  C12  C13  aromatic  1.381  0.020  1.381
 P5J  C14  C13  aromatic  1.392  0.020  1.392
 P5J  C14  C16  single    1.506  0.020  1.506
 P5J  C13  N19  single    1.388  0.020  1.388
 P5J  C16  C17  single    1.534  0.020  1.534
 P5J  C16  C27  single    1.525  0.020  1.525
 P5J  N19  C17  single    1.362  0.020  1.362
 P5J  C17  O18  double    1.212  0.020  1.212
 P5J  C2   H1   single    0.930  0.020  1.080
 P5J  C3   H2   single    0.930  0.020  1.080
 P5J  C8   H3   single    0.930  0.020  1.080
 P5J  C11  H4   single    0.930  0.020  1.080
 P5J  C12  H5   single    0.930  0.020  1.080
 P5J  C15  H6   single    0.930  0.020  1.080
 P5J  C23  H7   single    0.930  0.020  1.080
 P5J  C24  H8   single    0.930  0.020  1.080
 P5J  C27  H9   single    0.970  0.020  1.090
 P5J  C27  H10  single    0.970  0.020  1.090
 P5J  C27  H11  single    0.970  0.020  1.090
 P5J  C33  H12  single    0.930  0.020  1.080
 P5J  C34  H13  single    0.970  0.020  1.090
 P5J  C34  H14  single    0.970  0.020  1.090
 P5J  C34  H15  single    0.970  0.020  1.090
 P5J  N19  H16  single    0.860  0.020  1.020
 P5J  C20  H17  single    0.970  0.020  1.090
 P5J  C20  H18  single    0.970  0.020  1.090
 P5J  C22  H19  single    0.930  0.020  1.080
 P5J  C25  H20  single    0.930  0.020  1.080
 P5J  C26  H21  single    0.930  0.020  1.080
 P5J  C29  H22  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
 P5J  C28  C1   N6   116.79  3.000
 P5J  N6   C1   C2   121.99  3.000
 P5J  C28  C1   C2   121.21  3.000
 P5J  H1   C2   C3   119.00  3.000
 P5J  H1   C2   C1   122.17  3.000
 P5J  C3   C2   C1   118.82  3.000
 P5J  H2   C3   N4   117.21  3.000
 P5J  H2   C3   C2   124.57  3.000
 P5J  N4   C3   C2   118.22  3.000
 P5J  N6   C5   N4   121.19  3.000
 P5J  N4   C5   C7   105.83  3.000
 P5J  N6   C5   C7   132.97  3.000
 P5J  C10  C7   C8   127.87  3.000
 P5J  C10  C7   C5   128.85  3.000
 P5J  C8   C7   C5   103.27  3.000
 P5J  H3   C8   N9   118.87  3.000
 P5J  H3   C8   C7   127.41  3.000
 P5J  N9   C8   C7   113.72  3.000
 P5J  H4   C11  C10  119.61  3.000
 P5J  H4   C11  C12  118.43  3.000
 P5J  C10  C11  C12  121.96  3.000
 P5J  H5   C12  C13  121.67  3.000
 P5J  H5   C12  C11  120.44  3.000
 P5J  C13  C12  C11  117.90  3.000
 P5J  H6   C15  C14  120.04  3.000
 P5J  H6   C15  C10  120.04  3.000
 P5J  C14  C15  C10  119.91  3.000
 P5J  C20  C16  C14  108.22  3.000
 P5J  C14  C16  C27  113.19  3.000
 P5J  C20  C16  C27  112.62  3.000
 P5J  C27  C16  C17  110.21  3.000
 P5J  C14  C16  C17  101.78  3.000
 P5J  C20  C16  C17  110.28  3.000
 P5J  N19  C17  O18  125.64  3.000
 P5J  O18  C17  C16  126.66  3.000
 P5J  N19  C17  C16  107.70  3.000
 P5J  C26  C21  C22  118.34  3.000
 P5J  C22  C21  C20  120.71  3.000
 P5J  C26  C21  C20  120.93  3.000
 P5J  H7   C23  C22  119.77  3.000
 P5J  H7   C23  C24  120.08  3.000
 P5J  C22  C23  C24  120.15  3.000
 P5J  H8   C24  C25  120.28  3.000
 P5J  H8   C24  C23  120.22  3.000
 P5J  C25  C24  C23  119.50  3.000
 P5J  H11  C27  H10  107.89  3.000
 P5J  H11  C27  H9   108.16  3.000
 P5J  H10  C27  H9   108.18  3.000
 P5J  H11  C27  C16  110.93  3.000
 P5J  H10  C27  C16  110.40  3.000
 P5J  H9   C27  C16  111.15  3.000
 P5J  N32  C31  N30  124.52  3.000
 P5J  N30  C31  C34  118.18  3.000
 P5J  N32  C31  C34  117.30  3.000
 P5J  H12  C33  N32  116.97  3.000
 P5J  H12  C33  C28  120.34  3.000
 P5J  N32  C33  C28  122.69  3.000
 P5J  H15  C34  H14  109.41  3.000
 P5J  H15  C34  H13  107.09  3.000
 P5J  H14  C34  H13  108.17  3.000
 P5J  H15  C34  C31  110.88  3.000
 P5J  H14  C34  C31  111.21  3.000
 P5J  H13  C34  C31  109.95  3.000
 P5J  N9   N4   C5   112.87  3.000
 P5J  N9   N4   C3   126.07  3.000
 P5J  C5   N4   C3   121.06  3.000
 P5J  C5   N6   C1   118.70  3.000
 P5J  N4   N9   C8   104.31  3.000
 P5J  C15  C10  C11  118.54  3.000
 P5J  C15  C10  C7   119.84  3.000
 P5J  C11  C10  C7   121.62  3.000
 P5J  N19  C13  C14  109.23  3.000
 P5J  N19  C13  C12  129.34  3.000
 P5J  C14  C13  C12  121.43  3.000
 P5J  C13  C14  C16  108.93  3.000
 P5J  C16  C14  C15  130.76  3.000
 P5J  C13  C14  C15  120.26  3.000
 P5J  H16  N19  C13  124.48  3.000
 P5J  H16  N19  C17  123.23  3.000
 P5J  C13  N19  C17  112.06  3.000
 P5J  H18  C20  H17  106.26  3.000
 P5J  H18  C20  C21  109.35  3.000
 P5J  H17  C20  C21  109.52  3.000
 P5J  H18  C20  C16  106.43  3.000
 P5J  H17  C20  C16  108.27  3.000
 P5J  C21  C20  C16  116.51  3.000
 P5J  H19  C22  C23  119.47  3.000
 P5J  H19  C22  C21  119.58  3.000
 P5J  C23  C22  C21  120.94  3.000
 P5J  H20  C25  C26  119.75  3.000
 P5J  H20  C25  C24  120.18  3.000
 P5J  C26  C25  C24  120.07  3.000
 P5J  H21  C26  C25  119.50  3.000
 P5J  H21  C26  C21  119.52  3.000
 P5J  C25  C26  C21  120.98  3.000
 P5J  C29  C28  C33  115.02  3.000
 P5J  C29  C28  C1   123.58  3.000
 P5J  C33  C28  C1   121.40  3.000
 P5J  H22  C29  N30  115.96  3.000
 P5J  H22  C29  C28  121.37  3.000
 P5J  N30  C29  C28  122.66  3.000
 P5J  C29  N30  C31  117.57  3.000
 P5J  C33  N32  C31  117.54  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
 P5J  CONST_01  N32  C33  C28  C1    180.00   0.0  0
 P5J  CONST_02  N30  C29  C28  C1    180.00   0.0  0
 P5J  CONST_03  N4   C3   C2   C1      0.00   0.0  0
 P5J  CONST_04  N4   C5   N6   C1      0.00   0.0  0
 P5J  CONST_05  C7   C5   N6   C1    180.00   0.0  0
 P5J  CONST_08  C5   N6   C1   C2      0.00   0.0  0
 P5J  CONST_09  C5   N4   C3   C2      0.00   0.0  0
 P5J  CONST_10  N9   N4   C3   C2    180.00   0.0  0
 P5J  CONST_11  C28  C1   C2   C3    180.00   0.0  0
 P5J  CONST_12  N6   C1   C2   C3      0.00   0.0  0
 P5J  CONST_13  N6   C5   N4   C3      0.00   0.0  0
 P5J  CONST_14  C7   C5   N4   C3    180.00   0.0  0
 P5J  CONST_15  C8   N9   N4   C3    180.00   0.0  0
 P5J  CONST_16  C28  C1   N6   C5    180.00   0.0  0
 P5J  CONST_17  C8   N9   N4   C5      0.00   0.0  0
 P5J  CONST_18  N9   C8   C7   C5      0.00   0.0  0
 P5J  CONST_21  N9   N4   C5   C7      0.00   0.0  0
 P5J  CONST_22  N4   N9   C8   C7      0.00   0.0  0
 P5J  CONST_23  C12  C11  C10  C7    180.00   0.0  0
 P5J  CONST_24  C14  C15  C10  C7    180.00   0.0  0
 P5J  CONST_25  N6   C5   C7   C8    180.00   0.0  0
 P5J  CONST_26  N4   C5   C7   C8      0.00   0.0  0
 P5J  CONST_29  C14  C15  C10  C11     0.00   0.0  0
 P5J  CONST_30  C14  C13  C12  C11     0.00   0.0  0
 P5J  CONST_31  C15  C10  C11  C12     0.00   0.0  0
 P5J  CONST_32  C15  C14  C13  C12     0.00   0.0  0
 P5J  CONST_33  C24  C25  C26  C21     0.00   0.0  0
 P5J  CONST_34  C24  C23  C22  C21     0.00   0.0  0
 P5J  CONST_35  C26  C25  C24  C23     0.00   0.0  0
 P5J  CONST_36  C26  C21  C22  C23     0.00   0.0  0
 P5J  CONST_37  C28  C33  N32  C31     0.00   0.0  0
 P5J  CONST_38  C28  C29  N30  C31     0.00   0.0  0
 P5J  CONST_39  N30  C31  N32  C33     0.00   0.0  0
 P5J  CONST_40  N30  C29  C28  C33     0.00   0.0  0
 P5J  CONST_42  C10  C7   C5   N4    180.00   0.0  0
 P5J  CONST_44  N9   N4   C5   N6    180.00   0.0  0
 P5J  CONST_45  C10  C7   C5   N6      0.00   0.0  0
 P5J  CONST_46  C10  C7   C8   N9    180.00   0.0  0
 P5J  CONST_47  C13  C12  C11  C10     0.00   0.0  0
 P5J  CONST_48  C13  C14  C15  C10     0.00   0.0  0
 P5J  CONST_49  C25  C24  C23  C22     0.00   0.0  0
 P5J  CONST_50  C25  C26  C21  C22     0.00   0.0  0
 P5J  CONST_51  N32  C31  N30  C29     0.00   0.0  0
 P5J  CONST_52  N32  C33  C28  C29     0.00   0.0  0
 P5J  CONST_53  C13  N19  C17  C16     0.00   0.0  0
 P5J  CONST_54  C20  C21  C22  C23   180.00   0.0  0
 P5J  CONST_55  C34  C31  N32  C33   180.00   0.0  0
 P5J  CONST_56  C29  N30  C31  C34   180.00   0.0  0
 P5J  CONST_57  C25  C26  C21  C20   180.00   0.0  0
 P5J  CONST_58  O18  C17  N19  C13   180.00   0.0  0
 P5J  CONST_59  H12  C33  C28  C1      0.00   0.0  0
 P5J  CONST_60  H22  C29  C28  C1      0.00   0.0  0
 P5J  CONST_61  H2   C3   C2   C1    180.00   0.0  0
 P5J  CONST_62  H3   C8   C7   C5    180.00   0.0  0
 P5J  CONST_63  H4   C11  C10  C7      0.00   0.0  0
 P5J  CONST_64  H6   C15  C10  C7      0.00   0.0  0
 P5J  CONST_65  H20  C25  C26  C21   180.00   0.0  0
 P5J  CONST_66  H7   C23  C22  C21   180.00   0.0  0
 P5J  CONST_67  H21  C26  C25  C24   180.00   0.0  0
 P5J  CONST_68  H19  C22  C23  C24   180.00   0.0  0
 P5J  CONST_69  H1   C2   C3   N4    180.00   0.0  0
 P5J  CONST_70  H5   C12  C11  C10   180.00   0.0  0
 P5J  CONST_71  H8   C24  C23  C22   180.00   0.0  0
 P5J  CONST_72  H16  N19  C17  C16   180.00   0.0  0
 P5J  Var_01    C26  C21  C20  C16   -86.50  30.0  2
 P5J  Var_02    H13  C34  C31  N30  -105.28  30.0  2

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
 P5J  chir_01  C16  C14  C17  C27  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
 P5J  plan-1  C1   0.020
 P5J  plan-1  C31  0.020
 P5J  plan-1  C33  0.020
 P5J  plan-1  C34  0.020
 P5J  plan-1  C28  0.020
 P5J  plan-1  C29  0.020
 P5J  plan-1  N30  0.020
 P5J  plan-1  N32  0.020
 P5J  plan-1  H12  0.020
 P5J  plan-1  H22  0.020
 P5J  plan-2  C21  0.020
 P5J  plan-2  C23  0.020
 P5J  plan-2  C24  0.020
 P5J  plan-2  C20  0.020
 P5J  plan-2  C22  0.020
 P5J  plan-2  C25  0.020
 P5J  plan-2  C26  0.020
 P5J  plan-2  H7   0.020
 P5J  plan-2  H8   0.020
 P5J  plan-2  H19  0.020
 P5J  plan-2  H20  0.020
 P5J  plan-2  H21  0.020
 P5J  plan-3  C1   0.020
 P5J  plan-3  C2   0.020
 P5J  plan-3  C3   0.020
 P5J  plan-3  C5   0.020
 P5J  plan-3  C7   0.020
 P5J  plan-3  C8   0.020
 P5J  plan-3  N4   0.020
 P5J  plan-3  N6   0.020
 P5J  plan-3  N9   0.020
 P5J  plan-3  C10  0.020
 P5J  plan-3  C28  0.020
 P5J  plan-3  H1   0.020
 P5J  plan-3  H2   0.020
 P5J  plan-3  H3   0.020
 P5J  plan-4  C7   0.020
 P5J  plan-4  C11  0.020
 P5J  plan-4  C12  0.020
 P5J  plan-4  C15  0.020
 P5J  plan-4  C16  0.020
 P5J  plan-4  C17  0.020
 P5J  plan-4  C10  0.020
 P5J  plan-4  C13  0.020
 P5J  plan-4  C14  0.020
 P5J  plan-4  N19  0.020
 P5J  plan-4  H4   0.020
 P5J  plan-4  H5   0.020
 P5J  plan-4  H6   0.020
 P5J  plan-4  H16  0.020
 P5J  plan-4  O18  0.020

