# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr  1 07:22:14 2020
#   Inital geometry file: a 154 line input string
#   Ligand name: N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)CN(Cc1ccc(F)cc1)[S](=O)(=O)c2ccc(NC3CCN(CC3)[S](C)(=O)=O)nc2
#
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
 3QQ  3QQ  N-(4-fluorobenzyl)-N-(2-methylpropyl)-6-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyridine-3-sulfonamide  ligand  64  33  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_3QQ
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
 3QQ  C4   C  CH2   0  -0.274  -3.6219   1.6416   0.3676
 3QQ  C6   C  CH2   0  -0.392  -3.5146  -0.8363   0.3480
 3QQ  C11  C  CR16  0  -0.400  -6.7471  -1.9876   1.9819
 3QQ  C7   C  CR6   0   0.116  -4.9421  -1.2801   0.5347
 3QQ  C8   C  CR16  0  -0.250  -5.7847  -1.4252  -0.5643
 3QQ  C9   C  CR16  0  -0.401  -7.0960  -1.8429  -0.4062
 3QQ  C10  C  CR6   0   0.514  -7.5538  -2.1164   0.8704
 3QQ  C12  C  CR16  0  -0.288  -5.4358  -1.5650   1.8009
 3QQ  C3   C  CH3   0  -0.656  -5.1747   3.2768   1.4040
 3QQ  C1   C  CH3   0  -0.645  -5.7026   2.3566  -0.8771
 3QQ  C2   C  CH1   0  -0.239  -5.0865   2.0641   0.4835
 3QQ  N5   N  N     0  -0.559  -3.4212   0.4127  -0.4001
 3QQ  F13  F  F     0  -0.317  -8.8261  -2.5182   1.0302
 3QQ  S14  S  S     0   1.357  -2.4477   0.4672  -1.7288
 3QQ  O15  O  OS    0  -0.654  -2.5861  -0.8157  -2.4034
 3QQ  O16  O  OS    0  -0.647  -2.7688   1.6902  -2.4469
 3QQ  C17  C  CR6   0  -0.295  -0.7909   0.6070  -1.1673
 3QQ  C18  C  CR16  0  -0.134  -0.0580  -0.5215  -0.7902
 3QQ  C19  C  CR16  0  -0.392   1.2183  -0.3667  -0.3144
 3QQ  C20  C  CR6   0   0.526   1.7535   0.9380  -0.2214
 3QQ  N21  N  N     0  -0.461   1.0473   2.0129  -0.5999
 3QQ  C22  C  CR16  0  -0.041  -0.1797   1.8487  -1.0532
 3QQ  N23  N  NH1   0  -0.657   2.9856   1.1865   0.2542
 3QQ  C24  C  CH1   0  -0.075   3.9700   0.1962   0.6251
 3QQ  C25  C  CH2   0  -0.449   4.6674  -0.4232  -0.5878
 3QQ  C26  C  CH2   0  -0.328   5.7504  -1.4018  -0.1539
 3QQ  N27  N  N     0  -0.567   6.7027  -0.8025   0.7795
 3QQ  C28  C  CH2   0  -0.331   6.0785  -0.1694   1.9393
 3QQ  C29  C  CH2   0  -0.455   4.9990   0.8329   1.5533
 3QQ  S30  S  S     0   1.348   8.1618  -0.2697   0.2406
 3QQ  O31  O  OS    0  -0.668   8.9795  -0.0016   1.4150
 3QQ  O32  O  OS    0  -0.668   8.6338  -1.2349  -0.7422
 3QQ  C33  C  CH3   0  -0.807   7.9127   1.2780  -0.6048
 3QQ  H1   H  HCH2  0   0.250  -3.0617   2.4616  -0.0870
 3QQ  H2   H  HCH2  0   0.248  -3.1963   1.4958   1.3658
 3QQ  H3   H  HCH2  0   0.266  -3.0301  -0.7166   1.3218
 3QQ  H4   H  HCH2  0   0.284  -2.9710  -1.6229  -0.1744
 3QQ  H6   H  HCR6  0   0.256  -5.4176  -1.2011  -1.5580
 3QQ  H7   H  HCR6  0   0.279  -7.7520  -1.9532  -1.2598
 3QQ  H8   H  HCR6  0   0.265  -4.7956  -1.4483   2.6668
 3QQ  H9   H  HCH3  0   0.217  -4.6284   4.1282   0.9907
 3QQ  H10  H  HCH3  0   0.233  -6.2112   3.5869   1.5408
 3QQ  H11  H  HCH3  0   0.228  -4.7607   3.0636   2.3913
 3QQ  H12  H  HCH3  0   0.229  -5.6440   1.4933  -1.5386
 3QQ  H13  H  HCH3  0   0.223  -6.7547   2.6255  -0.7725
 3QQ  H14  H  HCH3  0   0.213  -5.1918   3.1884  -1.3674
 3QQ  H15  H  HCH1  0   0.235  -5.6478   1.2486   0.9480
 3QQ  H16  H  HCR6  0   0.289  -0.4701  -1.5176  -0.8834
 3QQ  H17  H  HCR6  0   0.285   1.7930  -1.2367  -0.0321
 3QQ  H18  H  HCR6  0   0.281  -0.6991   2.7516  -1.3531
 3QQ  H19  H  HNH1  0   0.390   3.2867   2.1480   0.1968
 3QQ  H20  H  HCH1  0   0.252   3.4657  -0.5984   1.1873
 3QQ  H21  H  HCH2  0   0.261   3.9506  -0.9552  -1.2172
 3QQ  H22  H  HCH2  0   0.238   5.0956   0.3729  -1.2035
 3QQ  H23  H  HCH2  0   0.262   5.2977  -2.2555   0.3584
 3QQ  H24  H  HCH2  0   0.282   6.2778  -1.8021  -1.0163
 3QQ  H25  H  HCH2  0   0.264   5.6382  -0.9694   2.5413
 3QQ  H26  H  HCH2  0   0.284   6.8367   0.3031   2.5596
 3QQ  H27  H  HCH2  0   0.239   5.4479   1.7042   1.0649
 3QQ  H28  H  HCH2  0   0.270   4.5117   1.1918   2.4619
 3QQ  H29  H  HCH3  0   0.288   7.5083   2.0124   0.0880
 3QQ  H30  H  HCH3  0   0.310   8.8795   1.6175  -0.9732
 3QQ  H31  H  HCH3  0   0.288   7.2298   1.1334  -1.4388
 3QQ  H5   H  HCR6  0   0.279  -7.1311  -2.2034   2.9701

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
 3QQ  C3   C2   single    1.525  0.020  1.525
 3QQ  F13  C10  single    1.344  0.020  1.344
 3QQ  C2   C4   single    1.529  0.020  1.529
 3QQ  C2   C1   single    1.522  0.020  1.522
 3QQ  C10  C9   aromatic  1.383  0.020  1.383
 3QQ  C10  C11  aromatic  1.379  0.020  1.379
 3QQ  C9   C8   aromatic  1.385  0.020  1.385
 3QQ  C11  C12  aromatic  1.390  0.020  1.390
 3QQ  C4   N5   single    1.463  0.020  1.463
 3QQ  C8   C7   aromatic  1.392  0.020  1.392
 3QQ  C12  C7   aromatic  1.389  0.020  1.389
 3QQ  C7   C6   single    1.506  0.020  1.506
 3QQ  N5   C6   single    1.459  0.020  1.459
 3QQ  N5   S14  single    1.648  0.020  1.648
 3QQ  O16  S14  double    1.454  0.020  1.454
 3QQ  S14  O15  double    1.456  0.020  1.456
 3QQ  S14  C17  single    1.755  0.020  1.755
 3QQ  C22  C17  aromatic  1.389  0.020  1.389
 3QQ  C22  N21  aromatic  1.318  0.020  1.318
 3QQ  C17  C18  aromatic  1.397  0.020  1.397
 3QQ  N21  C20  aromatic  1.341  0.020  1.341
 3QQ  C18  C19  aromatic  1.371  0.020  1.371
 3QQ  C20  C19  aromatic  1.413  0.020  1.413
 3QQ  C20  N23  single    1.344  0.020  1.344
 3QQ  C25  C26  single    1.523  0.020  1.523
 3QQ  C25  C24  single    1.530  0.020  1.530
 3QQ  C26  N27  single    1.462  0.020  1.462
 3QQ  C24  N23  single    1.445  0.020  1.445
 3QQ  C24  C29  single    1.525  0.020  1.525
 3QQ  O32  S30  double    1.456  0.020  1.456
 3QQ  N27  S30  single    1.644  0.020  1.644
 3QQ  N27  C28  single    1.461  0.020  1.461
 3QQ  C29  C28  single    1.523  0.020  1.523
 3QQ  S30  C33  single    1.781  0.020  1.781
 3QQ  S30  O31  double    1.456  0.020  1.456
 3QQ  C4   H1   single    0.970  0.020  1.090
 3QQ  C4   H2   single    0.970  0.020  1.090
 3QQ  C6   H3   single    0.970  0.020  1.090
 3QQ  C6   H4   single    0.970  0.020  1.090
 3QQ  C11  H5   single    0.930  0.020  1.080
 3QQ  C8   H6   single    0.930  0.020  1.080
 3QQ  C9   H7   single    0.930  0.020  1.080
 3QQ  C12  H8   single    0.930  0.020  1.080
 3QQ  C3   H9   single    0.970  0.020  1.090
 3QQ  C3   H10  single    0.970  0.020  1.090
 3QQ  C3   H11  single    0.970  0.020  1.090
 3QQ  C1   H12  single    0.970  0.020  1.090
 3QQ  C1   H13  single    0.970  0.020  1.090
 3QQ  C1   H14  single    0.970  0.020  1.090
 3QQ  C2   H15  single    0.970  0.020  1.090
 3QQ  C18  H16  single    0.930  0.020  1.080
 3QQ  C19  H17  single    0.930  0.020  1.080
 3QQ  C22  H18  single    0.930  0.020  1.080
 3QQ  N23  H19  single    0.860  0.020  1.020
 3QQ  C24  H20  single    0.970  0.020  1.090
 3QQ  C25  H21  single    0.970  0.020  1.090
 3QQ  C25  H22  single    0.970  0.020  1.090
 3QQ  C26  H23  single    0.970  0.020  1.090
 3QQ  C26  H24  single    0.970  0.020  1.090
 3QQ  C28  H25  single    0.970  0.020  1.090
 3QQ  C28  H26  single    0.970  0.020  1.090
 3QQ  C29  H27  single    0.970  0.020  1.090
 3QQ  C29  H28  single    0.970  0.020  1.090
 3QQ  C33  H29  single    0.970  0.020  1.090
 3QQ  C33  H30  single    0.970  0.020  1.090
 3QQ  C33  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
 3QQ  H2   C4   H1   106.27  3.000
 3QQ  H2   C4   N5   108.26  3.000
 3QQ  H1   C4   N5   109.99  3.000
 3QQ  H2   C4   C2   109.88  3.000
 3QQ  H1   C4   C2   108.39  3.000
 3QQ  N5   C4   C2   113.79  3.000
 3QQ  H4   C6   H3   106.54  3.000
 3QQ  H4   C6   N5   109.89  3.000
 3QQ  H3   C6   N5   109.53  3.000
 3QQ  H4   C6   C7   108.63  3.000
 3QQ  H3   C6   C7   109.97  3.000
 3QQ  N5   C6   C7   112.11  3.000
 3QQ  H5   C11  C12  120.97  3.000
 3QQ  H5   C11  C10  120.65  3.000
 3QQ  C12  C11  C10  118.38  3.000
 3QQ  C12  C7   C8   118.89  3.000
 3QQ  C12  C7   C6   120.68  3.000
 3QQ  C8   C7   C6   120.42  3.000
 3QQ  H6   C8   C9   119.22  3.000
 3QQ  H6   C8   C7   119.84  3.000
 3QQ  C9   C8   C7   120.94  3.000
 3QQ  H7   C9   C10  120.47  3.000
 3QQ  H7   C9   C8   120.96  3.000
 3QQ  C10  C9   C8   118.57  3.000
 3QQ  F13  C10  C9   118.83  3.000
 3QQ  C9   C10  C11  122.11  3.000
 3QQ  F13  C10  C11  119.06  3.000
 3QQ  H8   C12  C7   119.78  3.000
 3QQ  H8   C12  C11  119.11  3.000
 3QQ  C7   C12  C11  121.11  3.000
 3QQ  H11  C3   H10  107.61  3.000
 3QQ  H11  C3   H9   107.74  3.000
 3QQ  H10  C3   H9   107.52  3.000
 3QQ  H11  C3   C2   111.64  3.000
 3QQ  H10  C3   C2   110.90  3.000
 3QQ  H9   C3   C2   111.24  3.000
 3QQ  H14  C1   H13  107.84  3.000
 3QQ  H14  C1   H12  107.80  3.000
 3QQ  H13  C1   H12  107.78  3.000
 3QQ  H14  C1   C2   111.00  3.000
 3QQ  H13  C1   C2   110.62  3.000
 3QQ  H12  C1   C2   111.64  3.000
 3QQ  H15  C2   C1   108.38  3.000
 3QQ  H15  C2   C3   107.87  3.000
 3QQ  C1   C2   C3   111.31  3.000
 3QQ  H15  C2   C4   108.54  3.000
 3QQ  C1   C2   C4   111.91  3.000
 3QQ  C3   C2   C4   108.72  3.000
 3QQ  S14  N5   C6   118.65  3.000
 3QQ  S14  N5   C4   118.45  3.000
 3QQ  C6   N5   C4   116.19  3.000
 3QQ  C17  S14  O16  107.42  3.000
 3QQ  C17  S14  O15  107.95  3.000
 3QQ  O16  S14  O15  119.42  3.000
 3QQ  C17  S14  N5   107.60  3.000
 3QQ  O15  S14  N5   106.76  3.000
 3QQ  O16  S14  N5   107.19  3.000
 3QQ  C22  C17  C18  117.97  3.000
 3QQ  C18  C17  S14  121.14  3.000
 3QQ  C22  C17  S14  120.87  3.000
 3QQ  H16  C18  C19  119.24  3.000
 3QQ  H16  C18  C17  121.36  3.000
 3QQ  C19  C18  C17  119.39  3.000
 3QQ  H17  C19  C20  121.66  3.000
 3QQ  H17  C19  C18  119.68  3.000
 3QQ  C20  C19  C18  118.66  3.000
 3QQ  N23  C20  N21  115.76  3.000
 3QQ  N23  C20  C19  122.76  3.000
 3QQ  N21  C20  C19  121.48  3.000
 3QQ  C22  N21  C20  119.17  3.000
 3QQ  H18  C22  N21  115.93  3.000
 3QQ  H18  C22  C17  120.75  3.000
 3QQ  N21  C22  C17  123.32  3.000
 3QQ  H19  N23  C24  117.67  3.000
 3QQ  H19  N23  C20  115.44  3.000
 3QQ  C24  N23  C20  126.07  3.000
 3QQ  H20  C24  C29  107.51  3.000
 3QQ  H20  C24  C25  108.83  3.000
 3QQ  C29  C24  C25  110.12  3.000
 3QQ  H20  C24  N23  108.36  3.000
 3QQ  C29  C24  N23  109.26  3.000
 3QQ  C25  C24  N23  112.61  3.000
 3QQ  H22  C25  H21  106.68  3.000
 3QQ  H22  C25  C26  110.47  3.000
 3QQ  H21  C25  C26  108.54  3.000
 3QQ  H22  C25  C24  109.27  3.000
 3QQ  H21  C25  C24  110.79  3.000
 3QQ  C26  C25  C24  111.01  3.000
 3QQ  H24  C26  H23  106.55  3.000
 3QQ  H24  C26  N27  109.96  3.000
 3QQ  H23  C26  N27  106.89  3.000
 3QQ  H24  C26  C25  110.83  3.000
 3QQ  H23  C26  C25  109.92  3.000
 3QQ  N27  C26  C25  112.44  3.000
 3QQ  S30  N27  C28  119.92  3.000
 3QQ  C28  N27  C26  113.96  3.000
 3QQ  S30  N27  C26  120.11  3.000
 3QQ  H26  C28  H25  106.53  3.000
 3QQ  H26  C28  C29  110.66  3.000
 3QQ  H25  C28  C29  109.61  3.000
 3QQ  H26  C28  N27  110.06  3.000
 3QQ  H25  C28  N27  106.97  3.000
 3QQ  C29  C28  N27  112.75  3.000
 3QQ  H28  C29  H27  107.01  3.000
 3QQ  H28  C29  C28  108.77  3.000
 3QQ  H27  C29  C28  110.25  3.000
 3QQ  H28  C29  C24  110.04  3.000
 3QQ  H27  C29  C24  109.72  3.000
 3QQ  C28  C29  C24  110.96  3.000
 3QQ  C33  S30  O32  107.52  3.000
 3QQ  C33  S30  O31  107.54  3.000
 3QQ  O32  S30  O31  118.98  3.000
 3QQ  O31  S30  N27  107.08  3.000
 3QQ  C33  S30  N27  108.24  3.000
 3QQ  O32  S30  N27  107.10  3.000
 3QQ  H31  C33  H30  109.84  3.000
 3QQ  H31  C33  H29  110.17  3.000
 3QQ  H30  C33  H29  109.58  3.000
 3QQ  H31  C33  S30  109.65  3.000
 3QQ  H30  C33  S30  107.90  3.000
 3QQ  H29  C33  S30  109.66  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
 3QQ  CONST_01  C8   C9   C10  C11    0.00   0.0  0
 3QQ  CONST_02  C8   C7   C12  C11    0.00   0.0  0
 3QQ  CONST_03  C10  C9   C8   C7     0.00   0.0  0
 3QQ  CONST_04  C10  C11  C12  C7     0.00   0.0  0
 3QQ  CONST_05  C12  C11  C10  C9     0.00   0.0  0
 3QQ  CONST_06  C12  C7   C8   C9     0.00   0.0  0
 3QQ  CONST_07  C20  N21  C22  C17    0.00   0.0  0
 3QQ  CONST_08  C20  C19  C18  C17    0.00   0.0  0
 3QQ  CONST_09  N21  C22  C17  C18    0.00   0.0  0
 3QQ  CONST_10  N21  C20  C19  C18    0.00   0.0  0
 3QQ  CONST_11  C22  C17  C18  C19    0.00   0.0  0
 3QQ  CONST_12  C22  N21  C20  C19    0.00   0.0  0
 3QQ  CONST_13  C9   C8   C7   C6   180.00   0.0  0
 3QQ  CONST_14  C11  C12  C7   C6   180.00   0.0  0
 3QQ  CONST_15  F13  C10  C9   C8   180.00   0.0  0
 3QQ  CONST_16  F13  C10  C11  C12  180.00   0.0  0
 3QQ  CONST_17  N21  C22  C17  S14  180.00   0.0  0
 3QQ  CONST_18  C19  C18  C17  S14  180.00   0.0  0
 3QQ  CONST_19  N23  C20  C19  C18  180.00   0.0  0
 3QQ  CONST_20  N23  C20  N21  C22  180.00   0.0  0
 3QQ  CONST_21  C24  N23  C20  C19    0.00   0.0  0
 3QQ  CONST_22  C24  N23  C20  N21  180.00   0.0  0
 3QQ  CONST_23  H7   C9   C10  C11  180.00   0.0  0
 3QQ  CONST_24  H5   C11  C12  C7   180.00   0.0  0
 3QQ  CONST_25  H8   C12  C7   C8   180.00   0.0  0
 3QQ  CONST_26  H6   C8   C9   C10  180.00   0.0  0
 3QQ  CONST_27  H17  C19  C18  C17  180.00   0.0  0
 3QQ  CONST_28  H18  C22  C17  C18  180.00   0.0  0
 3QQ  CONST_29  H16  C18  C19  C20  180.00   0.0  0
 3QQ  CONST_30  H19  N23  C20  C19  180.00   0.0  0
 3QQ  Var_01    N27  C26  C25  C24  -53.60  30.0  1
 3QQ  Var_02    N27  C28  C29  C24   53.35  30.0  1
 3QQ  Var_03    C28  N27  C26  C25   52.76  30.0  1
 3QQ  Var_04    C29  C28  N27  C26  -52.69  30.0  1
 3QQ  Var_05    N5   C6   C7   C8    54.20  30.0  2
 3QQ  Var_06    C22  C17  S14  N5   -94.78  30.0  2
 3QQ  Var_07    O32  S30  N27  C26  -39.39  30.0  3
 3QQ  Var_08    C7   C6   N5   C4    82.15  30.0  3
 3QQ  Var_09    C17  S14  N5   C4    72.68  30.0  3
 3QQ  Var_10    H29  C33  S30  N27   61.61  30.0  3
 3QQ  Var_11    C2   C4   N5   C6   -87.10  30.0  2
 3QQ  Var_12    N5   C4   C2   C3   174.97  30.0  3
 3QQ  Var_13    H9   C3   C2   C4    62.43  30.0  3
 3QQ  Var_14    H12  C1   C2   C4    58.21  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
 3QQ  chir_01  C24  C25  N23  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
 3QQ  plan-1  C6   0.020
 3QQ  plan-1  C11  0.020
 3QQ  plan-1  C7   0.020
 3QQ  plan-1  C8   0.020
 3QQ  plan-1  C9   0.020
 3QQ  plan-1  C10  0.020
 3QQ  plan-1  C12  0.020
 3QQ  plan-1  F13  0.020
 3QQ  plan-1  H6   0.020
 3QQ  plan-1  H7   0.020
 3QQ  plan-1  H8   0.020
 3QQ  plan-1  H5   0.020
 3QQ  plan-2  S14  0.020
 3QQ  plan-2  C17  0.020
 3QQ  plan-2  C18  0.020
 3QQ  plan-2  C19  0.020
 3QQ  plan-2  C20  0.020
 3QQ  plan-2  N21  0.020
 3QQ  plan-2  C22  0.020
 3QQ  plan-2  N23  0.020
 3QQ  plan-2  H16  0.020
 3QQ  plan-2  H17  0.020
 3QQ  plan-2  H18  0.020
 3QQ  plan-3  C20  0.020
 3QQ  plan-3  N23  0.020
 3QQ  plan-3  C24  0.020
 3QQ  plan-3  H19  0.020

