# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Jul 24 04:07:21 2021
#   Inital geometry file: a 153 line input string
#   Ligand name: N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCN(Cc3ccccn3)Cc4ccccn4
#
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
 QG7  QG7  N-(2-{bis[(pyridin-2-yl)methyl]amino}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide  ligand  65  33  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_QG7
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
 QG7  C10  C  C     0  -0.060  18.1744  29.3176  -10.5014
 QG7  C15  C  CR16  0  -0.328  25.9844  25.1319  -10.6499
 QG7  C17  C  CH2   0  -0.340  23.8126  28.1172  -14.2548
 QG7  C11  C  CH2   0  -0.405  25.0054  26.0431  -14.6754
 QG7  C12  C  CR6   0   0.245  25.3716  25.6778  -13.2559
 QG7  C14  C  CR16  0  -0.151  25.3316  24.1643  -11.3970
 QG7  O2   O  O     0  -0.527  17.5408  28.6498   -7.1052
 QG7  C9   C  CR5   0   0.643  17.9588  29.0406   -8.1839
 QG7  N1   N  NR15  0  -0.661  18.9290  29.9679   -8.3867
 QG7  N2   N  NR15  0  -0.657  17.5287  28.6352   -9.4101
 QG7  C8   C  C     0  -0.045  19.2422  30.1893   -9.7738
 QG7  C7   C  CH2   0  -0.577  20.6381  29.6986  -10.1709
 QG7  S1   S  S2    0  -0.009  20.4623  27.9553  -10.6283
 QG7  C6   C  CR15  0  -0.370  18.8942  28.3643  -11.4659
 QG7  C5   C  CH2   0  -0.418  18.0918  27.1415  -11.8701
 QG7  C4   C  CH2   0  -0.438  18.8666  26.1751  -12.7607
 QG7  C3   C  CH2   0  -0.425  17.9499  25.2055  -13.5001
 QG7  C2   C  CH2   0  -0.566  18.6943  24.0598  -14.1898
 QG7  C1   C  C     0   0.529  19.7955  24.5921  -15.0804
 QG7  C24  C  CH2   0  -0.319  22.2390  24.8424  -15.2407
 QG7  O1   O  O     0  -0.496  19.5627  25.3359  -16.0230
 QG7  N6   N  NH1   0  -0.621  21.0410  24.2131  -14.7336
 QG7  C23  C  CH2   0  -0.284  22.5772  26.0612  -14.3835
 QG7  N3   N  NT    0  -0.407  23.7564  26.7792  -14.8215
 QG7  N4   N  N     0  -0.416  26.0046  26.6030  -12.5357
 QG7  C16  C  CR16  0  -0.077  26.2979  26.3324  -11.2701
 QG7  C13  C  CR16  0  -0.335  25.0225  24.4418  -12.7193
 QG7  N5   N  N     0  -0.410  22.8659  29.3155  -16.1316
 QG7  C18  C  CR6   0   0.240  22.7470  29.0049  -14.8426
 QG7  C22  C  CR16  0  -0.081  21.9464  30.0981  -16.6791
 QG7  C21  C  CR16  0  -0.324  20.8643  30.6165  -15.9807
 QG7  C20  C  CR16  0  -0.156  20.7389  30.2932  -14.6398
 QG7  C19  C  CR16  0  -0.340  21.6955  29.4716  -14.0620
 QG7  H1   H  H     0   0.283  17.4631  29.9307  -11.0619
 QG7  H3   H  HCH2  0   0.255  24.7893  28.5454  -14.4905
 QG7  H4   H  HCH2  0   0.217  23.7228  28.1224  -13.1589
 QG7  H5   H  HCH2  0   0.257  24.9518  25.1368  -15.2821
 QG7  H6   H  HCH2  0   0.262  25.8045  26.6542  -15.1000
 QG7  H7   H  HCR6  0   0.273  25.0700  23.2091  -10.9607
 QG7  H8   H  HNR5  0   0.400  19.5293  30.2745   -7.6397
 QG7  H9   H  HNR5  0   0.400  16.6312  28.1929   -9.5130
 QG7  H10  H  H     0   0.280  19.1455  31.2462  -10.0321
 QG7  H11  H  HCH2  0   0.295  21.3599  29.8064   -9.3621
 QG7  H12  H  HCH2  0   0.268  21.0066  30.2704  -11.0251
 QG7  H13  H  HCR5  0   0.268  19.1467  28.9306  -12.3698
 QG7  H14  H  HCH2  0   0.241  17.2017  27.4930  -12.4032
 QG7  H15  H  HCH2  0   0.239  17.7362  26.6140  -10.9818
 QG7  H16  H  HCH2  0   0.225  19.5895  25.6195  -12.1544
 QG7  H17  H  HCH2  0   0.228  19.4530  26.7458  -13.4867
 QG7  H18  H  HCH2  0   0.229  17.3624  25.7603  -14.2358
 QG7  H19  H  HCH2  0   0.236  17.2324  24.7671  -12.8015
 QG7  H20  H  HCH2  0   0.269  17.9952  23.4826  -14.7988
 QG7  H21  H  HCH2  0   0.243  19.0966  23.3807  -13.4350
 QG7  H22  H  HCH2  0   0.254  22.0862  25.1414  -16.2766
 QG7  H23  H  HCH2  0   0.249  23.0358  24.0976  -15.2344
 QG7  H24  H  HNH1  0   0.397  21.1439  23.6399  -13.9123
 QG7  H25  H  HCH2  0   0.205  22.6352  25.7548  -13.3260
 QG7  H26  H  HCH2  0   0.255  21.7248  26.7408  -14.4492
 QG7  H28  H  HCR6  0   0.261  26.8161  27.1099  -10.7193
 QG7  H29  H  HCR6  0   0.267  24.5206  23.7044  -13.3322
 QG7  H30  H  HCR6  0   0.261  22.0762  30.3322  -17.7303
 QG7  H31  H  HCR6  0   0.270  20.1465  31.2534  -16.4787
 QG7  H32  H  HCR6  0   0.264  19.9114  30.6784  -14.0576
 QG7  H33  H  HCR6  0   0.265  21.6275  29.1708  -13.0230
 QG7  H2   H  HCR6  0   0.269  26.2510  24.9638   -9.6156

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
 QG7  C22  C21  aromatic  1.388  0.020  1.388
 QG7  C22  N5   aromatic  1.326  0.020  1.326
 QG7  C21  C20  aromatic  1.385  0.020  1.385
 QG7  N5   C18  aromatic  1.331  0.020  1.331
 QG7  C20  C19  aromatic  1.387  0.020  1.387
 QG7  C18  C19  aromatic  1.390  0.020  1.390
 QG7  C18  C17  single    1.506  0.020  1.506
 QG7  C11  N3   single    1.457  0.020  1.457
 QG7  C11  C12  single    1.511  0.020  1.511
 QG7  N3   C17  single    1.454  0.020  1.454
 QG7  N3   C23  single    1.448  0.020  1.448
 QG7  O1   C1   double    1.223  0.020  1.223
 QG7  C24  C23  single    1.528  0.020  1.528
 QG7  C24  N6   single    1.445  0.020  1.445
 QG7  C1   N6   single    1.347  0.020  1.347
 QG7  C1   C2   single    1.513  0.020  1.513
 QG7  N4   C12  aromatic  1.332  0.020  1.332
 QG7  N4   C16  aromatic  1.327  0.020  1.327
 QG7  C12  C13  aromatic  1.392  0.020  1.392
 QG7  C2   C3   single    1.531  0.020  1.531
 QG7  C16  C15  aromatic  1.387  0.020  1.387
 QG7  C13  C14  aromatic  1.386  0.020  1.386
 QG7  C3   C4   single    1.525  0.020  1.525
 QG7  C15  C14  aromatic  1.386  0.020  1.386
 QG7  C4   C5   single    1.526  0.020  1.526
 QG7  C5   C6   single    1.517  0.020  1.517
 QG7  C6   C10  single    1.535  0.020  1.535
 QG7  C6   S1   single    1.824  0.020  1.824
 QG7  N2   C10  single    1.440  0.020  1.440
 QG7  N2   C9   single    1.361  0.020  1.361
 QG7  C10  C8   single    1.559  0.020  1.559
 QG7  S1   C7   single    1.811  0.020  1.811
 QG7  C9   O2   double    1.221  0.020  1.221
 QG7  C9   N1   single    1.357  0.020  1.357
 QG7  C8   C7   single    1.532  0.020  1.532
 QG7  C8   N1   single    1.439  0.020  1.439
 QG7  C10  H1   single    0.970  0.020  1.090
 QG7  C15  H2   single    0.930  0.020  1.080
 QG7  C17  H3   single    0.970  0.020  1.090
 QG7  C17  H4   single    0.970  0.020  1.090
 QG7  C11  H5   single    0.970  0.020  1.090
 QG7  C11  H6   single    0.970  0.020  1.090
 QG7  C14  H7   single    0.930  0.020  1.080
 QG7  N1   H8   single    0.860  0.020  1.020
 QG7  N2   H9   single    0.890  0.020  1.040
 QG7  C8   H10  single    0.970  0.020  1.090
 QG7  C7   H11  single    0.970  0.020  1.090
 QG7  C7   H12  single    0.970  0.020  1.090
 QG7  C6   H13  single    0.970  0.020  1.090
 QG7  C5   H14  single    0.970  0.020  1.090
 QG7  C5   H15  single    0.970  0.020  1.090
 QG7  C4   H16  single    0.970  0.020  1.090
 QG7  C4   H17  single    0.970  0.020  1.090
 QG7  C3   H18  single    0.970  0.020  1.090
 QG7  C3   H19  single    0.970  0.020  1.090
 QG7  C2   H20  single    0.970  0.020  1.090
 QG7  C2   H21  single    0.970  0.020  1.090
 QG7  C24  H22  single    0.970  0.020  1.090
 QG7  C24  H23  single    0.970  0.020  1.090
 QG7  N6   H24  single    0.860  0.020  1.020
 QG7  C23  H25  single    0.970  0.020  1.090
 QG7  C23  H26  single    0.970  0.020  1.090
 QG7  C16  H28  single    0.930  0.020  1.080
 QG7  C13  H29  single    0.930  0.020  1.080
 QG7  C22  H30  single    0.930  0.020  1.080
 QG7  C21  H31  single    0.930  0.020  1.080
 QG7  C20  H32  single    0.930  0.020  1.080
 QG7  C19  H33  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
 QG7  H1   C10  C6   109.33  3.000
 QG7  H1   C10  C8   111.80  3.000
 QG7  C6   C10  C8   108.62  3.000
 QG7  H1   C10  N2   111.25  3.000
 QG7  C8   C10  N2   102.62  3.000
 QG7  C6   C10  N2   113.08  3.000
 QG7  H2   C15  C16  120.43  3.000
 QG7  H2   C15  C14  121.55  3.000
 QG7  C16  C15  C14  118.01  3.000
 QG7  H4   C17  H3   106.64  3.000
 QG7  H4   C17  C18  109.17  3.000
 QG7  H3   C17  C18  108.50  3.000
 QG7  H4   C17  N3   112.93  3.000
 QG7  H3   C17  N3   108.13  3.000
 QG7  C18  C17  N3   111.27  3.000
 QG7  H6   C11  H5   106.52  3.000
 QG7  H6   C11  N3   107.79  3.000
 QG7  H5   C11  N3   108.76  3.000
 QG7  H6   C11  C12  108.86  3.000
 QG7  H5   C11  C12  109.47  3.000
 QG7  N3   C11  C12  115.10  3.000
 QG7  C13  C12  N4   121.83  3.000
 QG7  C13  C12  C11  121.07  3.000
 QG7  N4   C12  C11  117.07  3.000
 QG7  H7   C14  C13  120.50  3.000
 QG7  H7   C14  C15  120.85  3.000
 QG7  C13  C14  C15  118.66  3.000
 QG7  N2   C9   N1   107.14  3.000
 QG7  N1   C9   O2   126.54  3.000
 QG7  N2   C9   O2   126.32  3.000
 QG7  H8   N1   C8   122.60  3.000
 QG7  H8   N1   C9   121.59  3.000
 QG7  C8   N1   C9   113.87  3.000
 QG7  H9   N2   C9   120.33  3.000
 QG7  H9   N2   C10  122.07  3.000
 QG7  C9   N2   C10  113.57  3.000
 QG7  H10  C8   C7   109.23  3.000
 QG7  H10  C8   N1   110.95  3.000
 QG7  C7   C8   N1   113.51  3.000
 QG7  H10  C8   C10  111.72  3.000
 QG7  N1   C8   C10  102.40  3.000
 QG7  C7   C8   C10  108.91  3.000
 QG7  H12  C7   H11  107.78  3.000
 QG7  H12  C7   S1   109.83  3.000
 QG7  H11  C7   S1   110.31  3.000
 QG7  H12  C7   C8   110.03  3.000
 QG7  H11  C7   C8   112.31  3.000
 QG7  S1   C7   C8   106.58  3.000
 QG7  C6   S1   C7    89.06  3.000
 QG7  H13  C6   C5   108.57  3.000
 QG7  H13  C6   S1   107.24  3.000
 QG7  C5   C6   S1   113.34  3.000
 QG7  H13  C6   C10  107.78  3.000
 QG7  S1   C6   C10  104.70  3.000
 QG7  C5   C6   C10  114.82  3.000
 QG7  H15  C5   H14  106.63  3.000
 QG7  H15  C5   C4   109.51  3.000
 QG7  H14  C5   C4   109.38  3.000
 QG7  H15  C5   C6   110.16  3.000
 QG7  H14  C5   C6   107.51  3.000
 QG7  C4   C5   C6   113.42  3.000
 QG7  H17  C4   H16  106.17  3.000
 QG7  H17  C4   C3   109.39  3.000
 QG7  H16  C4   C3   110.04  3.000
 QG7  H17  C4   C5   109.22  3.000
 QG7  H16  C4   C5   109.48  3.000
 QG7  C3   C4   C5   112.35  3.000
 QG7  H19  C3   H18  106.32  3.000
 QG7  H19  C3   C2   107.88  3.000
 QG7  H18  C3   C2   109.77  3.000
 QG7  H19  C3   C4   109.85  3.000
 QG7  H18  C3   C4   109.07  3.000
 QG7  C2   C3   C4   113.69  3.000
 QG7  H21  C2   H20  107.01  3.000
 QG7  H21  C2   C1   110.95  3.000
 QG7  H20  C2   C1   108.88  3.000
 QG7  H21  C2   C3   109.46  3.000
 QG7  H20  C2   C3   109.60  3.000
 QG7  C1   C2   C3   110.85  3.000
 QG7  N6   C1   O1   123.05  3.000
 QG7  N6   C1   C2   114.98  3.000
 QG7  O1   C1   C2   121.94  3.000
 QG7  H23  C24  H22  107.19  3.000
 QG7  H23  C24  C23  112.31  3.000
 QG7  H22  C24  C23  110.22  3.000
 QG7  H23  C24  N6   107.84  3.000
 QG7  H22  C24  N6   109.70  3.000
 QG7  C23  C24  N6   109.51  3.000
 QG7  H24  N6   C24  116.71  3.000
 QG7  H24  N6   C1   117.69  3.000
 QG7  C24  N6   C1   123.61  3.000
 QG7  H26  C23  H25  105.76  3.000
 QG7  H26  C23  N3   107.99  3.000
 QG7  H25  C23  N3   112.64  3.000
 QG7  H26  C23  C24  106.85  3.000
 QG7  H25  C23  C24  109.15  3.000
 QG7  N3   C23  C24  113.96  3.000
 QG7  C23  N3   C11  114.65  3.000
 QG7  C23  N3   C17  111.70  3.000
 QG7  C11  N3   C17  113.12  3.000
 QG7  C16  N4   C12  118.61  3.000
 QG7  H28  C16  N4   116.34  3.000
 QG7  H28  C16  C15  120.09  3.000
 QG7  N4   C16  C15  123.57  3.000
 QG7  H29  C13  C14  120.48  3.000
 QG7  H29  C13  C12  120.20  3.000
 QG7  C14  C13  C12  119.32  3.000
 QG7  C22  N5   C18  118.40  3.000
 QG7  C19  C18  N5   122.20  3.000
 QG7  C19  C18  C17  120.91  3.000
 QG7  N5   C18  C17  116.88  3.000
 QG7  H30  C22  C21  120.01  3.000
 QG7  H30  C22  N5   116.40  3.000
 QG7  C21  C22  N5   123.59  3.000
 QG7  H31  C21  C20  121.56  3.000
 QG7  H31  C21  C22  120.38  3.000
 QG7  C20  C21  C22  118.06  3.000
 QG7  H32  C20  C19  120.92  3.000
 QG7  H32  C20  C21  120.45  3.000
 QG7  C19  C20  C21  118.63  3.000
 QG7  H33  C19  C20  121.36  3.000
 QG7  H33  C19  C18  119.51  3.000
 QG7  C20  C19  C18  119.11  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
 QG7  CONST_01  C12  N4   C16  C15     0.00   0.0  0
 QG7  CONST_02  C12  C13  C14  C15     0.00   0.0  0
 QG7  CONST_03  N4   C12  C13  C14     0.00   0.0  0
 QG7  CONST_04  N4   C16  C15  C14     0.00   0.0  0
 QG7  CONST_05  C13  C12  N4   C16     0.00   0.0  0
 QG7  CONST_06  C13  C14  C15  C16     0.00   0.0  0
 QG7  CONST_07  C20  C21  C22  N5      0.00   0.0  0
 QG7  CONST_08  C20  C19  C18  N5      0.00   0.0  0
 QG7  CONST_09  C21  C22  N5   C18     0.00   0.0  0
 QG7  CONST_10  C21  C20  C19  C18     0.00   0.0  0
 QG7  CONST_11  C19  C20  C21  C22     0.00   0.0  0
 QG7  CONST_12  C19  C18  N5   C22     0.00   0.0  0
 QG7  CONST_13  N1   C9   N2   C10     0.00   0.0  0
 QG7  CONST_14  C8   N1   C9   N2      0.00   0.0  0
 QG7  CONST_15  C22  N5   C18  C17   180.00   0.0  0
 QG7  CONST_16  C20  C19  C18  C17   180.00   0.0  0
 QG7  CONST_17  C16  N4   C12  C11   180.00   0.0  0
 QG7  CONST_18  C14  C13  C12  C11   180.00   0.0  0
 QG7  CONST_19  O2   C9   N2   C10   180.00   0.0  0
 QG7  CONST_20  C8   N1   C9   O2    180.00   0.0  0
 QG7  CONST_21  H29  C13  C14  C15   180.00   0.0  0
 QG7  CONST_22  H28  C16  N4   C12   180.00   0.0  0
 QG7  CONST_23  H7   C14  C13  C12   180.00   0.0  0
 QG7  CONST_24  H2   C15  C16  N4    180.00   0.0  0
 QG7  CONST_25  H31  C21  C22  N5    180.00   0.0  0
 QG7  CONST_26  H33  C19  C18  N5    180.00   0.0  0
 QG7  CONST_27  H30  C22  N5   C18   180.00   0.0  0
 QG7  CONST_28  H32  C20  C19  C18   180.00   0.0  0
 QG7  CONST_30  H8   N1   C9   N2    180.00   0.0  0
 QG7  CONST_31  C24  N6   C1   C2    180.00   0.0  0
 QG7  CONST_32  O1   C1   N6   C24     0.00   0.0  0
 QG7  CONST_33  H24  N6   C1   C2      0.00   0.0  0
 QG7  Var_01    H11  C7   S1   C6    162.43  30.0  1
 QG7  Var_02    N4   C12  C11  N3    -84.13  30.0  2
 QG7  Var_03    N5   C18  C17  N3    -67.11  30.0  3
 QG7  Var_04    C12  C11  N3   C17    67.43  30.0  1
 QG7  Var_05    C18  C17  N3   C11   159.13  30.0  3
 QG7  Var_06    C3   C4   C5   C6   -162.17  30.0  1
 QG7  Var_07    C24  C23  N3   C17   162.77  30.0  3
 QG7  Var_08    C2   C3   C4   C5   -169.04  30.0  1
 QG7  Var_09    C1   C2   C3   C4    -52.69  30.0  1
 QG7  Var_10    O1   C1   C2   C3    -60.64  30.0  2
 QG7  Var_11    C23  C24  N6   C1     85.60  30.0  2
 QG7  Var_12    N3   C23  C24  N6   -179.13  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
 QG7  chir_01  C10  C6  N2   C8   negativ
 QG7  chir_02  C8   N1  C10  C7   positiv
 QG7  chir_03  C6   S1  C5   C10  negativ

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
 QG7  plan-1  C15  0.020
 QG7  plan-1  C11  0.020
 QG7  plan-1  C12  0.020
 QG7  plan-1  C14  0.020
 QG7  plan-1  N4   0.020
 QG7  plan-1  C16  0.020
 QG7  plan-1  C13  0.020
 QG7  plan-1  H7   0.020
 QG7  plan-1  H28  0.020
 QG7  plan-1  H29  0.020
 QG7  plan-1  H2   0.020
 QG7  plan-2  C17  0.020
 QG7  plan-2  N5   0.020
 QG7  plan-2  C18  0.020
 QG7  plan-2  C22  0.020
 QG7  plan-2  C21  0.020
 QG7  plan-2  C20  0.020
 QG7  plan-2  C19  0.020
 QG7  plan-2  H30  0.020
 QG7  plan-2  H31  0.020
 QG7  plan-2  H32  0.020
 QG7  plan-2  H33  0.020
 QG7  plan-3  C2   0.020
 QG7  plan-3  C1   0.020
 QG7  plan-3  C24  0.020
 QG7  plan-3  O1   0.020
 QG7  plan-3  N6   0.020
 QG7  plan-3  H24  0.020
 QG7  plan-4  C10  0.020
 QG7  plan-4  O2   0.020
 QG7  plan-4  C9   0.020
 QG7  plan-4  N1   0.020
 QG7  plan-4  N2   0.020
 QG7  plan-4  C8   0.020
 QG7  plan-4  H8   0.020
 QG7  plan-4  H9   0.020

