# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  9 21:21:24 2020
#   Inital geometry file: a 161 line input string
#   Ligand name: N-{(3R,4R)-4-[({4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}pyridine-4-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1ccc(O)c(c1F)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4
#
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
 I04  I04  N-{(3R,4R)-4-[({4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]phenyl}carbonyl)amino]azepan-3-yl}pyridine-4-carboxamide  ligand  64  37  .  2021-08-11  2021-08-11  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_I04
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
 I04  F96   F  F     0  -0.291  -3.3493   1.2366  -1.1151
 I04  C76   C  CR6   0   0.524  -4.0907   0.7981  -0.0918
 I04  C75   C  CR6   0   0.221  -4.6669   1.7342   0.7638
 I04  O95   O  O2    0  -0.464  -4.4293   3.0297   0.4920
 I04  C98   C  CH3   0  -0.438  -4.9876   3.9965   1.3599
 I04  C74   C  CR16  0  -0.365  -5.4282   1.2397   1.8143
 I04  C73   C  CR16  0  -0.385  -5.6040  -0.1286   1.9946
 I04  C72   C  CR6   0   0.356  -5.0239  -1.0380   1.1248
 I04  O92   O  OH1   0  -0.620  -5.1362  -2.3736   1.2546
 I04  C71   C  CR6   0  -0.403  -4.2470  -0.5625   0.0647
 I04  C61   C  C     0   0.405  -3.5967  -1.5026  -0.9036
 I04  O62   O  O     0  -0.360  -4.2629  -2.1537  -1.6753
 I04  C54   C  CR6   0  -0.022  -2.1178  -1.5926  -0.8681
 I04  C55   C  CR16  0  -0.253  -1.4296  -2.1705  -1.9363
 I04  C56   C  CR16  0  -0.259  -0.0495  -2.2188  -1.9302
 I04  C53   C  CR16  0  -0.238  -1.3992  -1.1088   0.2198
 I04  C52   C  CR16  0  -0.279  -0.0178  -1.1938   0.2419
 I04  C51   C  CR6   0  -0.016   0.6712  -1.7337  -0.8391
 I04  C42   C  C     0   0.526   2.1672  -1.7097  -0.9286
 I04  O43   O  O     0  -0.479   2.7191  -1.6809  -2.0208
 I04  N41   N  NH1   0  -0.651   2.8356  -1.6971   0.2351
 I04  C37   C  CH1   0  -0.054   4.2543  -1.4297   0.3331
 I04  C36   C  CH2   0  -0.467   4.7903  -2.1249   1.5873
 I04  C35   C  CH2   0  -0.408   6.3086  -2.1964   1.7075
 I04  C34   C  CH2   0  -0.315   7.0604  -0.8932   1.4698
 I04  N33   N  NH1   0  -0.609   6.9207  -0.4624   0.0872
 I04  C32   C  CH2   0  -0.273   5.8853   0.5091  -0.1769
 I04  C31   C  CH1   0  -0.088   4.5285   0.1062   0.4064
 I04  N23   N  NH1   0  -0.656   3.5088   0.8927  -0.2461
 I04  C21   C  C     0   0.538   2.3952   1.3104   0.3780
 I04  O22   O  O     0  -0.472   2.2289   1.2225   1.5862
 I04  C14   C  CR6   0   0.064   1.3190   1.8922  -0.4910
 I04  C13   C  CR16  0  -0.340   0.3342   2.6704   0.1059
 I04  C12   C  CR16  0  -0.043  -0.6976   3.1622  -0.6762
 I04  N11   N  N     0  -0.395  -0.8014   2.9326  -1.9796
 I04  C16   C  CR16  0  -0.052   0.1306   2.1781  -2.5439
 I04  C15   C  CR16  0  -0.364   1.2019   1.6328  -1.8513
 I04  H981  H  HCH3  0   0.230  -4.6236   3.8843   2.3846
 I04  H982  H  HCH3  0   0.262  -4.6748   4.9665   0.9826
 I04  H983  H  HCH3  0   0.230  -6.0801   3.9558   1.3668
 I04  H74   H  HCR6  0   0.299  -5.9013   1.9117   2.5169
 I04  H73   H  HCR6  0   0.283  -6.1972  -0.4762   2.8320
 I04  H92   H  HOH1  0   0.482  -5.6504  -2.5917   2.0400
 I04  H55   H  HCR6  0   0.270  -1.9739  -2.5560  -2.7881
 I04  H56   H  HCR6  0   0.266   0.4749  -2.6307  -2.7814
 I04  H53   H  HCR6  0   0.265  -1.9064  -0.6588   1.0625
 I04  H52   H  HCR6  0   0.264   0.5006  -0.7837   1.0975
 I04  H41   H  HNH1  0   0.407   2.3175  -1.7694   1.0965
 I04  H37   H  HCH1  0   0.255   4.7326  -1.8421  -0.5565
 I04  H361  H  HCH2  0   0.228   4.3756  -1.6147   2.4643
 I04  H362  H  HCH2  0   0.250   4.4024  -3.1460   1.6110
 I04  H351  H  HCH2  0   0.227   6.5502  -2.5754   2.7040
 I04  H352  H  HCH2  0   0.218   6.6912  -2.9306   0.9936
 I04  H341  H  HCH2  0   0.206   6.7494  -0.1226   2.1909
 I04  H342  H  HCH2  0   0.243   8.1189  -1.0734   1.6646
 I04  H33   H  HNH1  0   0.361   7.7979  -0.1055  -0.2615
 I04  H321  H  HCH2  0   0.219   6.1144   1.5125   0.2086
 I04  H322  H  HCH2  0   0.228   5.7904   0.6018  -1.2640
 I04  H31   H  HCH1  0   0.256   4.5018   0.3844   1.4616
 I04  H23   H  HNH1  0   0.407   3.5898   1.0198  -1.2424
 I04  H13   H  HCR6  0   0.271   0.3616   2.8898   1.1639
 I04  H12   H  HCR6  0   0.263  -1.4781   3.7636  -0.2245
 I04  H16   H  HCR6  0   0.269   0.0253   1.9851  -3.6054
 I04  H15   H  HCR6  0   0.266   1.8913   0.9965  -2.3898

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
 I04  F96  C76   single    1.337  0.020  1.337
 I04  C76  C75   aromatic  1.393  0.020  1.393
 I04  C76  C71   aromatic  1.379  0.020  1.379
 I04  C75  O95   single    1.345  0.020  1.345
 I04  C75  C74   aromatic  1.388  0.020  1.388
 I04  O95  C98   single    1.414  0.020  1.414
 I04  C98  H981  single    0.970  0.020  1.090
 I04  C98  H982  single    0.970  0.020  1.090
 I04  C98  H983  single    0.970  0.020  1.090
 I04  C74  C73   aromatic  1.391  0.020  1.391
 I04  C74  H74   single    0.930  0.020  1.080
 I04  C73  C72   aromatic  1.386  0.020  1.386
 I04  C73  H73   single    0.930  0.020  1.080
 I04  C72  O92   single    1.347  0.020  1.347
 I04  C72  C71   aromatic  1.398  0.020  1.398
 I04  O92  H92   single    0.850  0.020  0.980
 I04  C71  C61   single    1.498  0.020  1.498
 I04  C61  O62   double    1.210  0.020  1.210
 I04  C61  C54   single    1.482  0.020  1.482
 I04  C54  C55   aromatic  1.396  0.020  1.396
 I04  C54  C53   aromatic  1.391  0.020  1.391
 I04  C55  C56   aromatic  1.381  0.020  1.381
 I04  C55  H55   single    0.930  0.020  1.080
 I04  C56  C51   aromatic  1.395  0.020  1.395
 I04  C56  H56   single    0.930  0.020  1.080
 I04  C53  C52   aromatic  1.384  0.020  1.384
 I04  C53  H53   single    0.930  0.020  1.080
 I04  C52  C51   aromatic  1.391  0.020  1.391
 I04  C52  H52   single    0.930  0.020  1.080
 I04  C51  C42   single    1.499  0.020  1.499
 I04  C42  O43   double    1.224  0.020  1.224
 I04  C42  N41   single    1.342  0.020  1.342
 I04  N41  C37   single    1.447  0.020  1.447
 I04  N41  H41   single    0.860  0.020  1.020
 I04  C37  C36   single    1.531  0.020  1.531
 I04  C37  C31   single    1.562  0.020  1.562
 I04  C37  H37   single    0.970  0.020  1.090
 I04  C36  C35   single    1.525  0.020  1.525
 I04  C36  H361  single    0.970  0.020  1.090
 I04  C36  H362  single    0.970  0.020  1.090
 I04  C35  C34   single    1.523  0.020  1.523
 I04  C35  H351  single    0.970  0.020  1.090
 I04  C35  H352  single    0.970  0.020  1.090
 I04  C34  N33   single    1.455  0.020  1.455
 I04  C34  H341  single    0.970  0.020  1.090
 I04  C34  H342  single    0.970  0.020  1.090
 I04  N33  C32   single    1.444  0.020  1.444
 I04  N33  H33   single    0.890  0.020  1.040
 I04  C32  C31   single    1.531  0.020  1.531
 I04  C32  H321  single    0.970  0.020  1.090
 I04  C32  H322  single    0.970  0.020  1.090
 I04  C31  N23   single    1.444  0.020  1.444
 I04  C31  H31   single    0.970  0.020  1.090
 I04  N23  C21   single    1.343  0.020  1.343
 I04  N23  H23   single    0.860  0.020  1.020
 I04  C21  O22   double    1.223  0.020  1.223
 I04  C21  C14   single    1.501  0.020  1.501
 I04  C14  C13   aromatic  1.390  0.020  1.390
 I04  C14  C15   aromatic  1.390  0.020  1.390
 I04  C13  C12   aromatic  1.385  0.020  1.385
 I04  C13  H13   single    0.930  0.020  1.080
 I04  C12  N11   aromatic  1.328  0.020  1.328
 I04  C12  H12   single    0.930  0.020  1.080
 I04  N11  C16   aromatic  1.325  0.020  1.325
 I04  C16  C15   aromatic  1.387  0.020  1.387
 I04  C16  H16   single    0.930  0.020  1.080
 I04  C15  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
 I04  C71   C76  C75   123.14  3.000
 I04  C71   C76  F96   118.25  3.000
 I04  C75   C76  F96   118.61  3.000
 I04  C74   C75  O95   126.36  3.000
 I04  C74   C75  C76   116.89  3.000
 I04  O95   C75  C76   116.75  3.000
 I04  C98   O95  C75   117.70  3.000
 I04  H983  C98  H982  108.85  3.000
 I04  H983  C98  H981  108.85  3.000
 I04  H982  C98  H981  108.73  3.000
 I04  H983  C98  O95   111.90  3.000
 I04  H982  C98  O95   106.46  3.000
 I04  H981  C98  O95   111.94  3.000
 I04  H74   C74  C73   118.14  3.000
 I04  H74   C74  C75   120.68  3.000
 I04  C73   C74  C75   121.18  3.000
 I04  H73   C73  C72   120.25  3.000
 I04  H73   C73  C74   119.01  3.000
 I04  C72   C73  C74   120.74  3.000
 I04  C71   C72  O92   117.19  3.000
 I04  C71   C72  C73   119.05  3.000
 I04  O92   C72  C73   123.74  3.000
 I04  H92   O92  C72   110.34  3.000
 I04  C61   C71  C72   121.20  3.000
 I04  C61   C71  C76   119.78  3.000
 I04  C72   C71  C76   119.01  3.000
 I04  C54   C61  O62   122.15  3.000
 I04  C54   C61  C71   117.12  3.000
 I04  O62   C61  C71   120.73  3.000
 I04  C53   C54  C55   119.21  3.000
 I04  C53   C54  C61   120.88  3.000
 I04  C55   C54  C61   119.92  3.000
 I04  H55   C55  C56   119.59  3.000
 I04  H55   C55  C54   120.13  3.000
 I04  C56   C55  C54   120.25  3.000
 I04  H56   C56  C51   119.85  3.000
 I04  H56   C56  C55   119.64  3.000
 I04  C51   C56  C55   120.51  3.000
 I04  H53   C53  C52   118.76  3.000
 I04  H53   C53  C54   120.80  3.000
 I04  C52   C53  C54   120.45  3.000
 I04  H52   C52  C51   121.65  3.000
 I04  H52   C52  C53   117.89  3.000
 I04  C51   C52  C53   120.38  3.000
 I04  C42   C51  C52   122.31  3.000
 I04  C42   C51  C56   118.33  3.000
 I04  C52   C51  C56   119.15  3.000
 I04  N41   C42  O43   123.30  3.000
 I04  N41   C42  C51   116.45  3.000
 I04  O43   C42  C51   120.24  3.000
 I04  H41   N41  C37   117.35  3.000
 I04  H41   N41  C42   118.98  3.000
 I04  C37   N41  C42   123.28  3.000
 I04  H37   C37  C31   109.45  3.000
 I04  H37   C37  C36   110.05  3.000
 I04  C31   C37  C36   110.28  3.000
 I04  H37   C37  N41   107.74  3.000
 I04  C31   C37  N41   110.92  3.000
 I04  C36   C37  N41   108.35  3.000
 I04  H362  C36  H361  106.46  3.000
 I04  H362  C36  C35   107.94  3.000
 I04  H361  C36  C35   109.60  3.000
 I04  H362  C36  C37   108.53  3.000
 I04  H361  C36  C37   108.16  3.000
 I04  C35   C36  C37   115.75  3.000
 I04  H352  C35  H351  106.56  3.000
 I04  H352  C35  C34   107.46  3.000
 I04  H351  C35  C34   109.26  3.000
 I04  H352  C35  C36   109.18  3.000
 I04  H351  C35  C36   107.95  3.000
 I04  C34   C35  C36   116.04  3.000
 I04  H342  C34  H341  105.83  3.000
 I04  H342  C34  N33   108.16  3.000
 I04  H341  C34  N33   112.85  3.000
 I04  H342  C34  C35   108.03  3.000
 I04  H341  C34  C35   110.94  3.000
 I04  N33   C34  C35   110.75  3.000
 I04  H33   N33  C32   108.79  3.000
 I04  H33   N33  C34   110.46  3.000
 I04  C32   N33  C34   116.22  3.000
 I04  H322  C32  H321  106.80  3.000
 I04  H322  C32  C31   108.89  3.000
 I04  H321  C32  C31   106.95  3.000
 I04  H322  C32  N33   107.49  3.000
 I04  H321  C32  N33   113.61  3.000
 I04  C31   C32  N33   112.87  3.000
 I04  H31   C31  N23   106.31  3.000
 I04  H31   C31  C32   108.84  3.000
 I04  N23   C31  C32   108.08  3.000
 I04  H31   C31  C37   106.96  3.000
 I04  N23   C31  C37   112.99  3.000
 I04  C32   C31  C37   113.37  3.000
 I04  H23   N23  C21   119.13  3.000
 I04  H23   N23  C31   117.31  3.000
 I04  C21   N23  C31   123.03  3.000
 I04  C14   C21  O22   120.17  3.000
 I04  C14   C21  N23   116.50  3.000
 I04  O22   C21  N23   123.33  3.000
 I04  C15   C14  C13   117.72  3.000
 I04  C15   C14  C21   123.70  3.000
 I04  C13   C14  C21   118.46  3.000
 I04  H13   C13  C12   119.97  3.000
 I04  H13   C13  C14   121.07  3.000
 I04  C12   C13  C14   118.96  3.000
 I04  H12   C12  N11   116.67  3.000
 I04  H12   C12  C13   119.88  3.000
 I04  N11   C12  C13   123.45  3.000
 I04  C16   N11  C12   117.49  3.000
 I04  H16   C16  C15   119.60  3.000
 I04  H16   C16  N11   116.74  3.000
 I04  C15   C16  N11   123.66  3.000
 I04  H15   C15  C16   118.34  3.000
 I04  H15   C15  C14   122.92  3.000
 I04  C16   C15  C14   118.71  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
 I04  CONST_01  C73   C74  C75  C76     0.00   0.0  0
 I04  CONST_02  C73   C72  C71  C76     0.00   0.0  0
 I04  CONST_03  C72   C71  C76  C75     0.00   0.0  0
 I04  CONST_04  C72   C73  C74  C75     0.00   0.0  0
 I04  CONST_05  C71   C76  C75  C74     0.00   0.0  0
 I04  CONST_06  C71   C72  C73  C74     0.00   0.0  0
 I04  CONST_07  C51   C56  C55  C54     0.00   0.0  0
 I04  CONST_08  C51   C52  C53  C54     0.00   0.0  0
 I04  CONST_09  C52   C53  C54  C55     0.00   0.0  0
 I04  CONST_10  C52   C51  C56  C55     0.00   0.0  0
 I04  CONST_11  C53   C54  C55  C56     0.00   0.0  0
 I04  CONST_12  C53   C52  C51  C56     0.00   0.0  0
 I04  CONST_13  N11   C12  C13  C14     0.00   0.0  0
 I04  CONST_14  N11   C16  C15  C14     0.00   0.0  0
 I04  CONST_15  C16   C15  C14  C13     0.00   0.0  0
 I04  CONST_16  C16   N11  C12  C13     0.00   0.0  0
 I04  CONST_17  C15   C14  C13  C12     0.00   0.0  0
 I04  CONST_18  C15   C16  N11  C12     0.00   0.0  0
 I04  CONST_19  C74   C75  C76  F96   180.00   0.0  0
 I04  CONST_20  C72   C71  C76  F96   180.00   0.0  0
 I04  CONST_21  O92   C72  C71  C76   180.00   0.0  0
 I04  CONST_22  C61   C71  C76  C75   180.00   0.0  0
 I04  CONST_23  C71   C76  C75  O95   180.00   0.0  0
 I04  CONST_24  C73   C74  C75  O95   180.00   0.0  0
 I04  CONST_25  O92   C72  C73  C74   180.00   0.0  0
 I04  CONST_26  C61   C71  C72  C73   180.00   0.0  0
 I04  CONST_27  C56   C55  C54  C61   180.00   0.0  0
 I04  CONST_28  C52   C53  C54  C61   180.00   0.0  0
 I04  CONST_29  C42   C51  C56  C55   180.00   0.0  0
 I04  CONST_30  C42   C51  C52  C53   180.00   0.0  0
 I04  CONST_31  C12   C13  C14  C21   180.00   0.0  0
 I04  CONST_32  C16   C15  C14  C21   180.00   0.0  0
 I04  CONST_33  H74   C74  C75  C76   180.00   0.0  0
 I04  CONST_34  H73   C73  C74  C75   180.00   0.0  0
 I04  CONST_35  H56   C56  C55  C54   180.00   0.0  0
 I04  CONST_36  H52   C52  C53  C54   180.00   0.0  0
 I04  CONST_37  H53   C53  C54  C55   180.00   0.0  0
 I04  CONST_38  H55   C55  C54  C53   180.00   0.0  0
 I04  CONST_39  H12   C12  C13  C14   180.00   0.0  0
 I04  CONST_40  H16   C16  C15  C14   180.00   0.0  0
 I04  CONST_41  H15   C15  C14  C13   180.00   0.0  0
 I04  CONST_42  H13   C13  C12  N11   180.00   0.0  0
 I04  CONST_43  C37   N41  C42  C51   180.00   0.0  0
 I04  CONST_44  C14   C21  N23  C31   180.00   0.0  0
 I04  CONST_45  C37   N41  C42  O43     0.00   0.0  0
 I04  CONST_46  O22   C21  N23  C31     0.00   0.0  0
 I04  CONST_47  H41   N41  C42  C51     0.00   0.0  0
 I04  CONST_48  H23   N23  C21  C14     0.00   0.0  0
 I04  Var_01    C54   C61  C71  C76    68.99  30.0  2
 I04  Var_02    C55   C54  C61  C71  -163.86  30.0  2
 I04  Var_03    C74   C75  O95  C98     0.84  30.0  2
 I04  Var_04    O43   C42  C51  C56    23.77  30.0  2
 I04  Var_05    C13   C14  C21  N23  -162.06  30.0  2
 I04  Var_06    H981  C98  O95  C75    60.61  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
 I04  chir_01  C37  N41  C36  C31  positiv
 I04  chir_02  C31  N23  C37  C32  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
 I04  plan-1  F96  0.020
 I04  plan-1  C76  0.020
 I04  plan-1  C75  0.020
 I04  plan-1  O95  0.020
 I04  plan-1  C74  0.020
 I04  plan-1  C73  0.020
 I04  plan-1  C72  0.020
 I04  plan-1  O92  0.020
 I04  plan-1  C71  0.020
 I04  plan-1  C61  0.020
 I04  plan-1  H74  0.020
 I04  plan-1  H73  0.020
 I04  plan-2  C61  0.020
 I04  plan-2  C54  0.020
 I04  plan-2  C55  0.020
 I04  plan-2  C56  0.020
 I04  plan-2  C53  0.020
 I04  plan-2  C52  0.020
 I04  plan-2  C51  0.020
 I04  plan-2  C42  0.020
 I04  plan-2  H55  0.020
 I04  plan-2  H56  0.020
 I04  plan-2  H53  0.020
 I04  plan-2  H52  0.020
 I04  plan-3  C21  0.020
 I04  plan-3  C14  0.020
 I04  plan-3  C13  0.020
 I04  plan-3  C12  0.020
 I04  plan-3  N11  0.020
 I04  plan-3  C16  0.020
 I04  plan-3  C15  0.020
 I04  plan-3  H13  0.020
 I04  plan-3  H12  0.020
 I04  plan-3  H16  0.020
 I04  plan-3  H15  0.020
 I04  plan-4  C51  0.020
 I04  plan-4  C42  0.020
 I04  plan-4  O43  0.020
 I04  plan-4  N41  0.020
 I04  plan-4  C37  0.020
 I04  plan-4  H41  0.020
 I04  plan-5  C31  0.020
 I04  plan-5  N23  0.020
 I04  plan-5  C21  0.020
 I04  plan-5  O22  0.020
 I04  plan-5  C14  0.020
 I04  plan-5  H23  0.020
 I04  plan-6  C71  0.020
 I04  plan-6  C61  0.020
 I04  plan-6  O62  0.020
 I04  plan-6  C54  0.020

