# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Mar 31 17:14:45 2020
#   Inital geometry file: a 157 line input string
#   Ligand name: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]3CCN(C3)C(=O)CC4CCCC4)C1=O
#
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
 3KO  3KO  (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one  ligand  70  30  .  2022-07-22  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_3KO
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
 3KO  C2   C  CR5   0   0.613  -1.8256   1.9977   1.4135
 3KO  C3   C  CR5   0   0.543  -1.7160   1.3949  -0.7891
 3KO  C4   C  CR5   0  -0.009  -1.7972   0.1122   0.0265
 3KO  C7   C  C     0   0.572   4.3098  -1.0746  -0.1073
 3KO  N1   N  NR5   0  -0.523  -1.7348   2.4358   0.0846
 3KO  C9   C  CH2   0  -0.393  -0.5706  -0.7720  -0.2329
 3KO  C13  C  CH2   0  -0.595   5.4483  -0.5373   0.7357
 3KO  C10  C  CH2   0  -0.222   1.9081  -1.0515  -0.5498
 3KO  C12  C  CH2   0  -0.403  -3.0829  -0.6578  -0.3173
 3KO  C27  C  CH2   0  -0.432  -8.1509  -0.4190  -0.7895
 3KO  C28  C  CH2   0  -0.448   8.6801  -0.0885  -1.2239
 3KO  C29  C  CH2   0  -0.449   9.2037  -0.3040   0.2172
 3KO  C30  C  CH2   0  -0.429  -8.3792  -1.5750   0.1779
 3KO  C26  C  CH2   0  -0.428  -7.1897  -2.5285   0.1812
 3KO  C25  C  CH2   0  -0.423  -5.8857  -1.7962   0.4865
 3KO  C24  C  CH2   0  -0.413  -6.8460   0.3083  -0.4846
 3KO  C23  C  CH2   0  -0.427   7.1532  -0.0105  -1.1037
 3KO  C22  C  CH2   0  -0.426   7.9547  -0.3842   1.1063
 3KO  C14  C  CH2   0  -0.274   2.7548   0.3614   1.2194
 3KO  C16  C  CH1   0  -0.316   0.7955  -0.1138  -0.0771
 3KO  C17  C  CH3   0  -0.556  -1.6947   3.8299  -0.2815
 3KO  C18  C  CH2   0  -0.459   1.2416   0.2379   1.3432
 3KO  C19  C  CH2   0  -0.425  -4.3666   0.1467  -0.1568
 3KO  C20  C  CR15  0  -0.224   6.8280  -0.8047   0.1609
 3KO  C21  C  CH1   0  -0.223  -5.6410  -0.6349  -0.4785
 3KO  N5   N  NR15  0  -0.663  -1.8251   0.6462   1.3646
 3KO  N6   N  NT    0  -0.481   3.0873  -0.5888   0.1639
 3KO  N8   N  N     0  -0.693  -1.8832   2.7012   2.4696
 3KO  O11  O  O     0  -0.446  -1.6495   1.4704  -1.9963
 3KO  O15  O  O     0  -0.512   4.4807  -1.9234  -0.9766
 3KO  H1   H  HCH2  0   0.245  -0.6307  -1.6349   0.4386
 3KO  H2   H  HCH2  0   0.248  -0.6562  -1.1676  -1.2489
 3KO  H3   H  HCH2  0   0.253   5.3274   0.5393   0.8941
 3KO  H4   H  HCH2  0   0.274   5.3610  -0.9905   1.7310
 3KO  H5   H  HCH2  0   0.229   1.6827  -2.0916  -0.2879
 3KO  H6   H  HCH2  0   0.248   2.0506  -1.0080  -1.6303
 3KO  H7   H  HCH2  0   0.235  -3.0026  -1.0240  -1.3441
 3KO  H8   H  HCH2  0   0.247  -3.1013  -1.5423   0.3252
 3KO  H9   H  HCH2  0   0.207  -8.1175  -0.8059  -1.8140
 3KO  H10  H  HCH2  0   0.224  -8.9891   0.2810  -0.7501
 3KO  H11  H  HCH2  0   0.226   9.0970   0.8080  -1.6843
 3KO  H12  H  HCH2  0   0.223   8.9675  -0.9267  -1.8615
 3KO  H13  H  HCH2  0   0.224   9.7796  -1.2290   0.2787
 3KO  H14  H  HCH2  0   0.226   9.8728   0.4964   0.5356
 3KO  H15  H  HCH2  0   0.206  -8.5256  -1.1769   1.1882
 3KO  H16  H  HCH2  0   0.224  -9.2962  -2.1106  -0.0801
 3KO  H17  H  HCH2  0   0.224  -7.3464  -3.3279   0.9097
 3KO  H18  H  HCH2  0   0.207  -7.1110  -3.0137  -0.7982
 3KO  H19  H  HCH2  0   0.203  -5.9194  -1.4043   1.5108
 3KO  H20  H  HCH2  0   0.229  -5.0548  -2.5049   0.4540
 3KO  H21  H  HCH2  0   0.223  -6.6827   1.1058  -1.2153
 3KO  H22  H  HCH2  0   0.203  -6.9208   0.7963   0.4951
 3KO  H23  H  HCH2  0   0.209   6.8360   1.0286  -0.9609
 3KO  H24  H  HCH2  0   0.233   6.6382  -0.3854  -1.9885
 3KO  H25  H  HCH2  0   0.229   8.0727  -1.0688   1.9483
 3KO  H26  H  HCH2  0   0.212   7.7221   0.6005   1.5247
 3KO  H27  H  HCH2  0   0.240   3.0416   1.3784   0.9344
 3KO  H28  H  HCH2  0   0.254   3.2651   0.1204   2.1525
 3KO  H29  H  HCH1  0   0.254   0.8436   0.7900  -0.6953
 3KO  H30  H  HCH3  0   0.262  -0.8340   4.3245   0.1676
 3KO  H31  H  HCH3  0   0.275  -1.6121   3.9061  -1.3615
 3KO  H32  H  HCH3  0   0.263  -2.6040   4.3397   0.0355
 3KO  H33  H  HCH2  0   0.235   0.9842  -0.5765   2.0264
 3KO  H34  H  HCH2  0   0.257   0.7989   1.1517   1.7340
 3KO  H35  H  HCH2  0   0.217  -4.4407   0.5343   0.8643
 3KO  H36  H  HCH2  0   0.228  -4.3367   1.0194  -0.8187
 3KO  H37  H  HCR5  0   0.223   6.9330  -1.8732  -0.0549
 3KO  H38  H  HCH1  0   0.204  -5.5423  -1.0535  -1.4903
 3KO  H39  H  H     0   0.346  -1.8611   3.6933   2.2716
 3KO  H41  H  HNR5  0   0.394  -1.9833   0.0876   2.1858

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
 3KO  C14  C18  single  1.523  0.020  1.523
 3KO  C14  N6   single  1.459  0.020  1.459
 3KO  C18  C16  single  1.530  0.020  1.530
 3KO  C13  C20  single  1.518  0.020  1.518
 3KO  C13  C7   single  1.515  0.020  1.515
 3KO  N6   C7   single  1.343  0.020  1.343
 3KO  N6   C10  single  1.454  0.020  1.454
 3KO  C16  C9   single  1.524  0.020  1.524
 3KO  C16  C10  single  1.530  0.020  1.530
 3KO  C20  C22  single  1.530  0.020  1.530
 3KO  C20  C23  single  1.528  0.020  1.528
 3KO  C7   O15  double  1.227  0.020  1.227
 3KO  C9   C4   single  1.534  0.020  1.534
 3KO  C22  C29  single  1.535  0.020  1.535
 3KO  C23  C28  single  1.534  0.020  1.534
 3KO  C29  C28  single  1.548  0.020  1.548
 3KO  C12  C4   single  1.538  0.020  1.538
 3KO  C12  C19  single  1.523  0.020  1.523
 3KO  C4   N5   single  1.441  0.020  1.441
 3KO  C4   C3   single  1.522  0.020  1.522
 3KO  C27  C24  single  1.525  0.020  1.525
 3KO  C27  C30  single  1.525  0.020  1.525
 3KO  C24  C21  single  1.530  0.020  1.530
 3KO  O11  C3   double  1.211  0.020  1.211
 3KO  N5   C2   single  1.352  0.020  1.352
 3KO  C3   N1   single  1.359  0.020  1.359
 3KO  C21  C19  single  1.529  0.020  1.529
 3KO  C21  C25  single  1.530  0.020  1.530
 3KO  C30  C26  single  1.525  0.020  1.525
 3KO  C2   N1   single  1.402  0.020  1.402
 3KO  C2   N8   double  1.270  0.020  1.270
 3KO  N1   C17  single  1.442  0.020  1.442
 3KO  C26  C25  single  1.526  0.020  1.526
 3KO  C9   H1   single  0.970  0.020  1.090
 3KO  C9   H2   single  0.970  0.020  1.090
 3KO  C13  H3   single  0.970  0.020  1.090
 3KO  C13  H4   single  0.970  0.020  1.090
 3KO  C10  H5   single  0.970  0.020  1.090
 3KO  C10  H6   single  0.970  0.020  1.090
 3KO  C12  H7   single  0.970  0.020  1.090
 3KO  C12  H8   single  0.970  0.020  1.090
 3KO  C27  H9   single  0.970  0.020  1.090
 3KO  C27  H10  single  0.970  0.020  1.090
 3KO  C28  H11  single  0.970  0.020  1.090
 3KO  C28  H12  single  0.970  0.020  1.090
 3KO  C29  H13  single  0.970  0.020  1.090
 3KO  C29  H14  single  0.970  0.020  1.090
 3KO  C30  H15  single  0.970  0.020  1.090
 3KO  C30  H16  single  0.970  0.020  1.090
 3KO  C26  H17  single  0.970  0.020  1.090
 3KO  C26  H18  single  0.970  0.020  1.090
 3KO  C25  H19  single  0.970  0.020  1.090
 3KO  C25  H20  single  0.970  0.020  1.090
 3KO  C24  H21  single  0.970  0.020  1.090
 3KO  C24  H22  single  0.970  0.020  1.090
 3KO  C23  H23  single  0.970  0.020  1.090
 3KO  C23  H24  single  0.970  0.020  1.090
 3KO  C22  H25  single  0.970  0.020  1.090
 3KO  C22  H26  single  0.970  0.020  1.090
 3KO  C14  H27  single  0.970  0.020  1.090
 3KO  C14  H28  single  0.970  0.020  1.090
 3KO  C16  H29  single  0.970  0.020  1.090
 3KO  C17  H30  single  0.970  0.020  1.090
 3KO  C17  H31  single  0.970  0.020  1.090
 3KO  C17  H32  single  0.970  0.020  1.090
 3KO  C18  H33  single  0.970  0.020  1.090
 3KO  C18  H34  single  0.970  0.020  1.090
 3KO  C19  H35  single  0.970  0.020  1.090
 3KO  C19  H36  single  0.970  0.020  1.090
 3KO  C20  H37  single  0.970  0.020  1.090
 3KO  C21  H38  single  0.970  0.020  1.090
 3KO  N8   H39  single  0.890  0.020  1.040
 3KO  N5   H41  single  0.860  0.020  1.020

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
 3KO  N8   C2   N5   125.70  3.000
 3KO  N8   C2   N1   128.16  3.000
 3KO  N5   C2   N1   106.14  3.000
 3KO  O11  C3   N1   126.42  3.000
 3KO  N1   C3   C4   107.47  3.000
 3KO  O11  C3   C4   126.11  3.000
 3KO  N5   C4   C12  112.15  3.000
 3KO  N5   C4   C9   112.71  3.000
 3KO  C12  C4   C9   110.01  3.000
 3KO  N5   C4   C3   100.73  3.000
 3KO  C12  C4   C3   110.29  3.000
 3KO  C9   C4   C3   110.64  3.000
 3KO  O15  C7   N6   121.34  3.000
 3KO  O15  C7   C13  122.34  3.000
 3KO  N6   C7   C13  116.31  3.000
 3KO  C17  N1   C3   125.23  3.000
 3KO  C17  N1   C2   122.99  3.000
 3KO  C3   N1   C2   111.76  3.000
 3KO  H2   C9   H1   106.28  3.000
 3KO  H2   C9   C16  108.74  3.000
 3KO  H1   C9   C16  109.08  3.000
 3KO  H2   C9   C4   107.64  3.000
 3KO  H1   C9   C4   107.85  3.000
 3KO  C16  C9   C4   116.77  3.000
 3KO  H4   C13  H3   105.43  3.000
 3KO  H4   C13  C20  110.06  3.000
 3KO  H3   C13  C20  109.17  3.000
 3KO  H4   C13  C7   107.37  3.000
 3KO  H3   C13  C7   110.26  3.000
 3KO  C20  C13  C7   114.19  3.000
 3KO  H6   C10  H5   107.55  3.000
 3KO  H6   C10  N6   111.57  3.000
 3KO  H5   C10  N6   110.58  3.000
 3KO  H6   C10  C16  112.12  3.000
 3KO  H5   C10  C16  111.00  3.000
 3KO  N6   C10  C16  104.07  3.000
 3KO  H8   C12  H7   106.40  3.000
 3KO  H8   C12  C19  110.56  3.000
 3KO  H7   C12  C19  109.74  3.000
 3KO  H8   C12  C4   106.72  3.000
 3KO  H7   C12  C4   108.44  3.000
 3KO  C19  C12  C4   114.62  3.000
 3KO  H10  C27  H9   106.46  3.000
 3KO  H10  C27  C24  110.11  3.000
 3KO  H9   C27  C24  109.23  3.000
 3KO  H10  C27  C30  110.36  3.000
 3KO  H9   C27  C30  109.28  3.000
 3KO  C24  C27  C30  111.28  3.000
 3KO  H12  C28  H11  106.50  3.000
 3KO  H12  C28  C23  110.30  3.000
 3KO  H11  C28  C23  111.83  3.000
 3KO  H12  C28  C29  110.35  3.000
 3KO  H11  C28  C29  112.21  3.000
 3KO  C23  C28  C29  105.71  3.000
 3KO  H14  C29  H13  106.37  3.000
 3KO  H14  C29  C22  111.61  3.000
 3KO  H13  C29  C22  110.63  3.000
 3KO  H14  C29  C28  112.15  3.000
 3KO  H13  C29  C28  110.41  3.000
 3KO  C22  C29  C28  105.74  3.000
 3KO  H16  C30  H15  106.48  3.000
 3KO  H16  C30  C26  110.41  3.000
 3KO  H15  C30  C26  109.24  3.000
 3KO  H16  C30  C27  110.33  3.000
 3KO  H15  C30  C27  109.24  3.000
 3KO  C26  C30  C27  111.03  3.000
 3KO  H18  C26  H17  106.40  3.000
 3KO  H18  C26  C25  109.26  3.000
 3KO  H17  C26  C25  109.88  3.000
 3KO  H18  C26  C30  109.33  3.000
 3KO  H17  C26  C30  110.30  3.000
 3KO  C25  C26  C30  111.53  3.000
 3KO  H20  C25  H19  106.43  3.000
 3KO  H20  C25  C21  110.60  3.000
 3KO  H19  C25  C21  108.82  3.000
 3KO  H20  C25  C26  109.42  3.000
 3KO  H19  C25  C26  109.39  3.000
 3KO  C21  C25  C26  112.01  3.000
 3KO  H22  C24  H21  106.40  3.000
 3KO  H22  C24  C21  108.93  3.000
 3KO  H21  C24  C21  109.54  3.000
 3KO  H22  C24  C27  109.41  3.000
 3KO  H21  C24  C27  109.99  3.000
 3KO  C21  C24  C27  112.38  3.000
 3KO  H24  C23  H23  107.16  3.000
 3KO  H24  C23  C20  113.10  3.000
 3KO  H23  C23  C20  108.87  3.000
 3KO  H24  C23  C28  112.90  3.000
 3KO  H23  C23  C28  110.28  3.000
 3KO  C20  C23  C28  104.50  3.000
 3KO  H26  C22  H25  106.99  3.000
 3KO  H26  C22  C20  109.08  3.000
 3KO  H25  C22  C20  112.58  3.000
 3KO  H26  C22  C29  110.31  3.000
 3KO  H25  C22  C29  113.05  3.000
 3KO  C20  C22  C29  104.81  3.000
 3KO  H28  C14  H27  107.79  3.000
 3KO  H28  C14  N6   111.63  3.000
 3KO  H27  C14  N6   110.93  3.000
 3KO  H28  C14  C18  112.17  3.000
 3KO  H27  C14  C18  110.91  3.000
 3KO  N6   C14  C18  103.44  3.000
 3KO  H29  C16  C18  108.74  3.000
 3KO  H29  C16  C10  107.41  3.000
 3KO  C18  C16  C10  102.45  3.000
 3KO  H29  C16  C9   109.74  3.000
 3KO  C10  C16  C9   110.82  3.000
 3KO  C18  C16  C9   117.09  3.000
 3KO  H32  C17  H31  108.67  3.000
 3KO  H32  C17  H30  109.09  3.000
 3KO  H31  C17  H30  108.54  3.000
 3KO  H32  C17  N1   110.81  3.000
 3KO  H31  C17  N1   108.81  3.000
 3KO  H30  C17  N1   110.87  3.000
 3KO  H34  C18  H33  107.78  3.000
 3KO  H34  C18  C16  114.08  3.000
 3KO  H33  C18  C16  109.89  3.000
 3KO  H34  C18  C14  111.42  3.000
 3KO  H33  C18  C14  110.18  3.000
 3KO  C16  C18  C14  103.46  3.000
 3KO  H36  C19  H35  106.46  3.000
 3KO  H36  C19  C21  107.62  3.000
 3KO  H35  C19  C21  108.71  3.000
 3KO  H36  C19  C12  109.52  3.000
 3KO  H35  C19  C12  110.01  3.000
 3KO  C21  C19  C12  114.21  3.000
 3KO  H37  C20  C22  108.62  3.000
 3KO  H37  C20  C23  108.88  3.000
 3KO  C22  C20  C23  102.23  3.000
 3KO  H37  C20  C13  109.49  3.000
 3KO  C23  C20  C13  114.52  3.000
 3KO  C22  C20  C13  112.76  3.000
 3KO  H38  C21  C19  108.26  3.000
 3KO  H38  C21  C24  107.56  3.000
 3KO  C19  C21  C24  110.00  3.000
 3KO  H38  C21  C25  107.81  3.000
 3KO  C19  C21  C25  112.87  3.000
 3KO  C24  C21  C25  110.15  3.000
 3KO  H41  N5   C4   123.74  3.000
 3KO  H41  N5   C2   121.70  3.000
 3KO  C4   N5   C2   113.83  3.000
 3KO  C14  N6   C10  112.19  3.000
 3KO  C10  N6   C7   121.60  3.000
 3KO  C14  N6   C7   126.10  3.000
 3KO  H39  N8   C2   112.29  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
 3KO  CONST_01  C4   C3   N1   C2      0.00   0.0  0
 3KO  CONST_02  N5   C2   N1   C3      0.00   0.0  0
 3KO  CONST_03  N1   C2   N5   C4      0.00   0.0  0
 3KO  CONST_04  O11  C3   N1   C2    180.00   0.0  0
 3KO  CONST_05  N8   C2   N1   C3    180.00   0.0  0
 3KO  CONST_06  N8   C2   N5   C4    180.00   0.0  0
 3KO  CONST_07  C17  N1   C3   C4    180.00   0.0  0
 3KO  CONST_08  N5   C2   N1   C17   180.00   0.0  0
 3KO  CONST_09  H41  N5   C2   N1    180.00   0.0  0
 3KO  CONST_10  C14  N6   C7   C13     0.00   0.0  0
 3KO  CONST_11  C10  N6   C7   C13   180.00   0.0  0
 3KO  CONST_12  O15  C7   N6   C10     0.00   0.0  0
 3KO  CONST_13  O15  C7   N6   C14   180.00   0.0  0
 3KO  CONST_14  O11  C3   N1   C17     0.00   0.0  0
 3KO  CONST_15  N8   C2   N1   C17     0.00   0.0  0
 3KO  CONST_16  H39  N8   C2   N1      0.00   0.0  0
 3KO  Var_01    C18  C14  N6   C10    12.47  30.0  1
 3KO  Var_02    C25  C26  C30  C27    55.13  30.0  1
 3KO  Var_03    C20  C22  C29  C28    23.19  30.0  1
 3KO  Var_04    C20  C23  C28  C29   -25.92  30.0  1
 3KO  Var_05    C21  C24  C27  C30    55.33  30.0  1
 3KO  Var_06    C21  C25  C26  C30   -55.47  30.0  1
 3KO  Var_07    C24  C27  C30  C26   -54.90  30.0  1
 3KO  Var_08    C22  C29  C28  C23     1.66  30.0  1
 3KO  Var_09    C16  C10  N6   C14    11.41  30.0  1
 3KO  Var_10    N6   C14  C18  C16   -31.17  30.0  1
 3KO  Var_11    C21  C19  C12  C4   -179.02  30.0  3
 3KO  Var_12    N6   C7   C13  C20  -163.88  30.0  3
 3KO  Var_13    H30  C17  N1   C2     60.03  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
 3KO  chir_01  C4   C12  N5   C3   positiv
 3KO  chir_02  C16  C10  C9   C18  negativ
 3KO  chir_03  C20  C13  C22  C23  positiv
 3KO  chir_04  C21  C24  C19  C25  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
 3KO  plan-1  C7   0.020
 3KO  plan-1  C13  0.020
 3KO  plan-1  C10  0.020
 3KO  plan-1  C14  0.020
 3KO  plan-1  N6   0.020
 3KO  plan-1  O15  0.020
 3KO  plan-2  C2   0.020
 3KO  plan-2  C3   0.020
 3KO  plan-2  C4   0.020
 3KO  plan-2  N1   0.020
 3KO  plan-2  C17  0.020
 3KO  plan-2  N5   0.020
 3KO  plan-2  N8   0.020
 3KO  plan-2  O11  0.020
 3KO  plan-2  H39  0.020
 3KO  plan-2  H41  0.020

