# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 28 21:25:30 2020
#   Inital geometry file: a 169 line input string
#   Ligand name: (2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@H](C)[C@@H]([C@@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)C(O)=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
 EQB  EQB  '(2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid'  ligand  71  34  .  2021-08-08  2021-08-08  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_EQB
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
 EQB  C4   C  CH1    0  -0.391  -5.1860   0.3177  -0.3239
 EQB  C5   C  CH1    0  -0.195  -6.3383   1.1454  -0.9262
 EQB  C6   C  CH3    0  -0.682  -5.9116   2.5807  -1.2240
 EQB  C7   C  CH2    0  -0.418  -6.8680   0.4628  -2.1939
 EQB  C8   C  CH3    0  -0.670  -8.1688   1.0524  -2.7245
 EQB  C15  C  CH1    0  -0.232  -1.4005  -2.0828   0.1303
 EQB  C17  C  CH3    0  -0.677  -0.2869  -3.0625   0.4817
 EQB  C21  C  CH1    0  -0.225   2.4606   0.4048   0.3607
 EQB  C22  C  CH1    0  -0.235   2.9289   1.5558   1.2796
 EQB  C24  C  CH3    0  -0.659   1.8852   2.6655   1.3183
 EQB  C1   C  C      0   0.448  -5.6697  -1.0800   0.1083
 EQB  O3   O  O      0  -0.617  -6.4939  -1.0831   1.0661
 EQB  C9   C  CH1    0  -0.099  -4.5503   0.9946   0.9126
 EQB  O10  O  OH1    0  -0.690  -5.4803   1.1886   1.9306
 EQB  C11  C  C      0   0.526  -3.3733   0.1389   1.3962
 EQB  O12  O  O      0  -0.492  -3.4223  -0.5323   2.4140
 EQB  N13  N  NH1    0  -0.639  -2.2955   0.1816   0.5917
 EQB  C14  C  CH1    0  -0.184  -1.1545  -0.6859   0.7508
 EQB  C18  C  C      0   0.572   0.0473   0.0247   0.1402
 EQB  O19  O  O      0  -0.486  -0.0649   0.7073  -0.8671
 EQB  N20  N  NH1    0  -0.627   1.2102  -0.1682   0.7834
 EQB  C25  C  C      0   0.612   3.5093  -0.6899   0.2549
 EQB  O26  O  O      0  -0.434   3.3393  -1.8402   0.5665
 EQB  O27  O  O2     0  -0.448   4.6461  -0.2067  -0.2170
 EQB  C29  C  CR6    0   0.080   6.9667  -0.2547  -0.6434
 EQB  C30  C  CR16   0  -0.282   7.5305   0.5756   0.3233
 EQB  C31  C  CR16   0  -0.242   8.6244   1.3698   0.0153
 EQB  C32  C  CR16   0  -0.261   9.1694   1.3389  -1.2635
 EQB  C33  C  CR16   0  -0.241   8.6146   0.5131  -2.2308
 EQB  C34  C  CR16   0  -0.298   7.5153  -0.2782  -1.9204
 EQB  H1   H  HCH1   0   0.222  -4.4150   0.2076  -1.0944
 EQB  H2   H  HCH1   0   0.208  -7.1540   1.1774  -0.1958
 EQB  H3   H  HCH3   0   0.235  -6.7059   3.1381  -1.7212
 EQB  H4   H  HCH3   0   0.232  -5.6652   3.1331  -0.3173
 EQB  H5   H  HCH3   0   0.213  -5.0358   2.6016  -1.8781
 EQB  H6   H  HCH2   0   0.207  -6.0962   0.5103  -2.9703
 EQB  H7   H  HCH2   0   0.227  -7.0308  -0.6004  -2.0013
 EQB  H8   H  HCH3   0   0.216  -8.9517   1.0190  -1.9642
 EQB  H9   H  HCH3   0   0.219  -8.0600   2.0908  -3.0391
 EQB  H10  H  HCH3   0   0.228  -8.5260   0.4900  -3.5880
 EQB  H11  H  HCH1   0   0.248  -2.3210  -2.4348   0.6058
 EQB  H12  H  HCH3   0   0.228  -0.1220  -3.1170   1.5600
 EQB  H13  H  HCH3   0   0.237  -0.5473  -4.0647   0.1395
 EQB  H14  H  HCH3   0   0.227   0.6612  -2.7946   0.0130
 EQB  H15  H  HCH1   0   0.308   2.3121   0.8148  -0.6419
 EQB  H16  H  HCH1   0   0.249   3.8349   1.9655   0.8261
 EQB  H17  H  HCH3   0   0.234   1.6117   2.9967   0.3161
 EQB  H18  H  HCH3   0   0.222   0.9745   2.3447   1.8267
 EQB  H19  H  HCH3   0   0.239   2.2738   3.5276   1.8613
 EQB  H20  H  HCH2   0   0.257   5.9099  -1.6135   0.6420
 EQB  H21  H  HCH2   0   0.259   5.5906  -1.8436  -1.0827
 EQB  H23  H  HCH1   0   0.251  -4.1454   1.9714   0.6222
 EQB  H24  H  HOH1   0   0.437  -6.0481   0.3849   1.8806
 EQB  H25  H  HNH1   0   0.393  -2.3341   0.7368  -0.2496
 EQB  H26  H  HCH1   0   0.274  -0.9873  -0.8253   1.8219
 EQB  H27  H  HCH3   0   0.216  -0.7535  -1.7586  -1.9276
 EQB  H28  H  HCH3   0   0.229  -1.9558  -3.0271  -1.7213
 EQB  H29  H  HCH3   0   0.235  -2.4471  -1.3461  -1.6309
 EQB  H30  H  HNH1   0   0.404   1.2066  -0.7321   1.6190
 EQB  H31  H  HCH3   0   0.233   4.0789   0.3413   2.6963
 EQB  H32  H  HCH3   0   0.245   3.6006   1.9163   3.2985
 EQB  H33  H  HCH3   0   0.225   2.4069   0.6343   3.1863
 EQB  H34  H  HCR6   0   0.253   7.1167   0.5979   1.3248
 EQB  H35  H  HCR6   0   0.259   9.0559   2.0109   0.7728
 EQB  H36  H  HCR6   0   0.260  10.0267   1.9551  -1.5018
 EQB  H37  H  HCR6   0   0.259   9.0344   0.4850  -3.2278
 EQB  H38  H  HCR6   0   0.258   7.0823  -0.9208  -2.6777
 EQB  OXT  O  OC    -1  -0.569  -5.2274  -2.0809  -0.4703
 EQB  C23  C  CH3    0  -0.677   3.2713   1.0760   2.6863
 EQB  C16  C  CH3    0  -0.661  -1.6487  -2.0407  -1.3720
 EQB  C28  C  CH2    0  -0.253   5.7737  -1.0956  -0.3092

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
 EQB  O12  C11  double    1.220  0.020  1.220
 EQB  C6   C5   single    1.527  0.020  1.527
 EQB  C17  C15  single    1.524  0.020  1.524
 EQB  C9   C11  single    1.533  0.020  1.533
 EQB  C9   O10  single    1.392  0.020  1.392
 EQB  C9   C4   single    1.546  0.020  1.546
 EQB  C11  N13  single    1.346  0.020  1.346
 EQB  C5   C4   single    1.541  0.020  1.541
 EQB  C5   C7   single    1.534  0.020  1.534
 EQB  C4   C1   single    1.541  0.020  1.541
 EQB  C15  C14  single    1.548  0.020  1.548
 EQB  C15  C16  single    1.523  0.020  1.523
 EQB  N13  C14  single    1.442  0.020  1.442
 EQB  C14  C18  single    1.524  0.020  1.524
 EQB  C7   C8   single    1.524  0.020  1.524
 EQB  C1   O3   deloc     1.264  0.020  1.264
 EQB  C18  N20  single    1.343  0.020  1.343
 EQB  C18  O19  double    1.222  0.020  1.222
 EQB  N20  C21  single    1.439  0.020  1.439
 EQB  C24  C22  single    1.524  0.020  1.524
 EQB  O26  C25  double    1.204  0.020  1.204
 EQB  C21  C22  single    1.545  0.020  1.545
 EQB  C21  C25  single    1.520  0.020  1.520
 EQB  C22  C23  single    1.525  0.020  1.525
 EQB  C25  O27  single    1.322  0.020  1.322
 EQB  O27  C28  single    1.439  0.020  1.439
 EQB  C28  C29  single    1.497  0.020  1.497
 EQB  C29  C30  aromatic  1.393  0.020  1.393
 EQB  C29  C34  aromatic  1.390  0.020  1.390
 EQB  C30  C31  aromatic  1.386  0.020  1.386
 EQB  C34  C33  aromatic  1.390  0.020  1.390
 EQB  C31  C32  aromatic  1.390  0.020  1.390
 EQB  C33  C32  aromatic  1.388  0.020  1.388
 EQB  C4   H1   single    0.970  0.020  1.090
 EQB  C5   H2   single    0.970  0.020  1.090
 EQB  C6   H3   single    0.970  0.020  1.090
 EQB  C6   H4   single    0.970  0.020  1.090
 EQB  C6   H5   single    0.970  0.020  1.090
 EQB  C7   H6   single    0.970  0.020  1.090
 EQB  C7   H7   single    0.970  0.020  1.090
 EQB  C8   H8   single    0.970  0.020  1.090
 EQB  C8   H9   single    0.970  0.020  1.090
 EQB  C8   H10  single    0.970  0.020  1.090
 EQB  C15  H11  single    0.970  0.020  1.090
 EQB  C17  H12  single    0.970  0.020  1.090
 EQB  C17  H13  single    0.970  0.020  1.090
 EQB  C17  H14  single    0.970  0.020  1.090
 EQB  C21  H15  single    0.970  0.020  1.090
 EQB  C22  H16  single    0.970  0.020  1.090
 EQB  C24  H17  single    0.970  0.020  1.090
 EQB  C24  H18  single    0.970  0.020  1.090
 EQB  C24  H19  single    0.970  0.020  1.090
 EQB  C28  H20  single    0.970  0.020  1.090
 EQB  C28  H21  single    0.970  0.020  1.090
 EQB  C9   H23  single    0.970  0.020  1.090
 EQB  O10  H24  single    0.850  0.020  0.980
 EQB  N13  H25  single    0.860  0.020  1.020
 EQB  C14  H26  single    0.970  0.020  1.090
 EQB  C16  H27  single    0.970  0.020  1.090
 EQB  C16  H28  single    0.970  0.020  1.090
 EQB  C16  H29  single    0.970  0.020  1.090
 EQB  N20  H30  single    0.860  0.020  1.020
 EQB  C23  H31  single    0.970  0.020  1.090
 EQB  C23  H32  single    0.970  0.020  1.090
 EQB  C23  H33  single    0.970  0.020  1.090
 EQB  C30  H34  single    0.930  0.020  1.080
 EQB  C31  H35  single    0.930  0.020  1.080
 EQB  C32  H36  single    0.930  0.020  1.080
 EQB  C33  H37  single    0.930  0.020  1.080
 EQB  C34  H38  single    0.930  0.020  1.080
 EQB  C1   OXT  deloc     1.238  0.020  1.238

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
 EQB  H1   C4   C9   108.49  3.000
 EQB  H1   C4   C1   109.09  3.000
 EQB  C9   C4   C1   107.57  3.000
 EQB  H1   C4   C5   107.78  3.000
 EQB  C1   C4   C5   111.22  3.000
 EQB  C9   C4   C5   112.63  3.000
 EQB  H2   C5   C7   107.87  3.000
 EQB  H2   C5   C6   108.10  3.000
 EQB  C7   C5   C6   110.71  3.000
 EQB  H2   C5   C4   108.17  3.000
 EQB  C7   C5   C4   110.01  3.000
 EQB  C6   C5   C4   111.85  3.000
 EQB  H5   C6   H4   107.88  3.000
 EQB  H5   C6   H3   107.52  3.000
 EQB  H4   C6   H3   106.56  3.000
 EQB  H5   C6   C5   111.01  3.000
 EQB  H4   C6   C5   112.17  3.000
 EQB  H3   C6   C5   111.46  3.000
 EQB  H7   C7   H6   105.78  3.000
 EQB  H7   C7   C8   108.10  3.000
 EQB  H6   C7   C8   109.74  3.000
 EQB  H7   C7   C5   109.80  3.000
 EQB  H6   C7   C5   108.85  3.000
 EQB  C8   C7   C5   114.23  3.000
 EQB  H10  C8   H9   107.18  3.000
 EQB  H10  C8   H8   107.50  3.000
 EQB  H9   C8   H8   107.55  3.000
 EQB  H10  C8   C7   110.84  3.000
 EQB  H9   C8   C7   112.56  3.000
 EQB  H8   C8   C7   110.96  3.000
 EQB  H11  C15  C16  107.48  3.000
 EQB  H11  C15  C14  104.47  3.000
 EQB  C16  C15  C14  113.35  3.000
 EQB  H11  C15  C17  107.91  3.000
 EQB  C16  C15  C17  111.36  3.000
 EQB  C14  C15  C17  111.81  3.000
 EQB  H14  C17  H13  107.36  3.000
 EQB  H14  C17  H12  107.77  3.000
 EQB  H13  C17  H12  107.46  3.000
 EQB  H14  C17  C15  112.21  3.000
 EQB  H13  C17  C15  110.11  3.000
 EQB  H12  C17  C15  111.71  3.000
 EQB  H15  C21  C25  107.46  3.000
 EQB  H15  C21  N20  107.50  3.000
 EQB  C25  C21  N20  109.47  3.000
 EQB  H15  C21  C22  107.88  3.000
 EQB  C25  C21  C22  111.64  3.000
 EQB  N20  C21  C22  112.66  3.000
 EQB  H16  C22  C23  108.33  3.000
 EQB  H16  C22  C24  107.78  3.000
 EQB  C23  C22  C24  111.06  3.000
 EQB  H16  C22  C21  106.48  3.000
 EQB  C23  C22  C21  112.47  3.000
 EQB  C24  C22  C21  110.48  3.000
 EQB  H19  C24  H18  107.33  3.000
 EQB  H19  C24  H17  107.87  3.000
 EQB  H18  C24  H17  107.95  3.000
 EQB  H19  C24  C22  110.14  3.000
 EQB  H18  C24  C22  111.68  3.000
 EQB  H17  C24  C22  111.69  3.000
 EQB  OXT  C1   O3   125.83  3.000
 EQB  OXT  C1   C4   119.35  3.000
 EQB  O3   C1   C4   114.81  3.000
 EQB  H23  C9   C11  107.29  3.000
 EQB  H23  C9   O10  108.43  3.000
 EQB  C11  C9   O10  111.09  3.000
 EQB  H23  C9   C4   109.27  3.000
 EQB  O10  C9   C4   111.78  3.000
 EQB  C11  C9   C4   108.87  3.000
 EQB  H24  O10  C9   103.54  3.000
 EQB  N13  C11  O12  123.26  3.000
 EQB  N13  C11  C9   114.11  3.000
 EQB  O12  C11  C9   122.63  3.000
 EQB  H25  N13  C14  116.95  3.000
 EQB  H25  N13  C11  119.04  3.000
 EQB  C14  N13  C11  123.28  3.000
 EQB  H26  C14  C18  109.36  3.000
 EQB  H26  C14  N13  107.80  3.000
 EQB  C18  C14  N13  107.42  3.000
 EQB  H26  C14  C15  107.58  3.000
 EQB  C18  C14  C15  112.67  3.000
 EQB  N13  C14  C15  111.89  3.000
 EQB  N20  C18  O19  123.69  3.000
 EQB  O19  C18  C14  121.22  3.000
 EQB  N20  C18  C14  115.09  3.000
 EQB  H30  N20  C18  118.31  3.000
 EQB  H30  N20  C21  117.99  3.000
 EQB  C18  N20  C21  123.69  3.000
 EQB  O27  C25  O26  124.26  3.000
 EQB  O27  C25  C21  110.79  3.000
 EQB  O26  C25  C21  124.95  3.000
 EQB  C25  O27  C28  118.09  3.000
 EQB  C34  C29  C30  119.19  3.000
 EQB  C34  C29  C28  120.66  3.000
 EQB  C30  C29  C28  120.14  3.000
 EQB  H34  C30  C31  119.65  3.000
 EQB  H34  C30  C29  119.92  3.000
 EQB  C31  C30  C29  120.43  3.000
 EQB  H35  C31  C32  120.04  3.000
 EQB  H35  C31  C30  119.90  3.000
 EQB  C32  C31  C30  120.06  3.000
 EQB  H36  C32  C33  120.13  3.000
 EQB  H36  C32  C31  120.02  3.000
 EQB  C33  C32  C31  119.84  3.000
 EQB  H37  C33  C34  119.86  3.000
 EQB  H37  C33  C32  120.18  3.000
 EQB  C34  C33  C32  119.96  3.000
 EQB  H38  C34  C33  119.85  3.000
 EQB  H38  C34  C29  119.63  3.000
 EQB  C33  C34  C29  120.52  3.000
 EQB  H33  C23  H32  107.07  3.000
 EQB  H33  C23  H31  108.00  3.000
 EQB  H32  C23  H31  106.86  3.000
 EQB  H33  C23  C22  111.83  3.000
 EQB  H32  C23  C22  110.07  3.000
 EQB  H31  C23  C22  112.72  3.000
 EQB  H29  C16  H28  107.11  3.000
 EQB  H29  C16  H27  108.39  3.000
 EQB  H28  C16  H27  107.57  3.000
 EQB  H29  C16  C15  111.80  3.000
 EQB  H28  C16  C15  109.69  3.000
 EQB  H27  C16  C15  112.07  3.000
 EQB  H21  C28  H20  108.26  3.000
 EQB  H21  C28  C29  111.12  3.000
 EQB  H20  C28  C29  111.19  3.000
 EQB  H21  C28  O27  109.72  3.000
 EQB  H20  C28  O27  109.58  3.000
 EQB  C29  C28  O27  106.97  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
 EQB  CONST_01  C32  C31  C30  C29     0.00   0.0  0
 EQB  CONST_02  C32  C33  C34  C29     0.00   0.0  0
 EQB  CONST_03  C33  C34  C29  C30     0.00   0.0  0
 EQB  CONST_04  C33  C32  C31  C30     0.00   0.0  0
 EQB  CONST_05  C34  C29  C30  C31     0.00   0.0  0
 EQB  CONST_06  C34  C33  C32  C31     0.00   0.0  0
 EQB  CONST_07  C31  C30  C29  C28   180.00   0.0  0
 EQB  CONST_08  C33  C34  C29  C28   180.00   0.0  0
 EQB  CONST_09  H35  C31  C30  C29   180.00   0.0  0
 EQB  CONST_10  H37  C33  C34  C29   180.00   0.0  0
 EQB  CONST_11  H38  C34  C29  C30   180.00   0.0  0
 EQB  CONST_12  H36  C32  C31  C30   180.00   0.0  0
 EQB  CONST_13  H34  C30  C31  C32   180.00   0.0  0
 EQB  CONST_14  C14  C18  N20  C21   180.00   0.0  0
 EQB  CONST_15  O19  C18  N20  C21     0.00   0.0  0
 EQB  CONST_16  C14  N13  C11  C9    180.00   0.0  0
 EQB  CONST_17  C14  N13  C11  O12     0.00   0.0  0
 EQB  CONST_18  H25  N13  C11  C9      0.00   0.0  0
 EQB  CONST_19  H30  N20  C18  C14     0.00   0.0  0
 EQB  Var_01    C30  C29  C28  O27    72.98  30.0  2
 EQB  Var_02    C29  C28  O27  C25  -170.58  30.0  3
 EQB  Var_03    O26  C25  O27  C28    -2.95  30.0  3
 EQB  Var_04    H8   C8   C7   C5    -57.21  30.0  3
 EQB  Var_05    H27  C16  C15  C17   -58.36  30.0  3
 EQB  Var_06    H17  C24  C22  C21   -52.86  30.0  3
 EQB  Var_07    H31  C23  C22  C21    60.54  30.0  3
 EQB  Var_08    H12  C17  C15  C14    53.58  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
 EQB  chir_01  C4   C9   C5   C1   positiv
 EQB  chir_02  C5   C7   C4   C6   negativ
 EQB  chir_03  C21  N20  C22  C25  negativ
 EQB  chir_04  C9   O10  C11  C4   negativ
 EQB  chir_05  C14  N13  C15  C18  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
 EQB  plan-1  C29  0.020
 EQB  plan-1  C30  0.020
 EQB  plan-1  C31  0.020
 EQB  plan-1  C32  0.020
 EQB  plan-1  C33  0.020
 EQB  plan-1  C34  0.020
 EQB  plan-1  H34  0.020
 EQB  plan-1  H35  0.020
 EQB  plan-1  H36  0.020
 EQB  plan-1  H37  0.020
 EQB  plan-1  H38  0.020
 EQB  plan-1  C28  0.020
 EQB  plan-2  C21  0.020
 EQB  plan-2  C25  0.020
 EQB  plan-2  O26  0.020
 EQB  plan-2  O27  0.020
 EQB  plan-3  C9   0.020
 EQB  plan-3  C11  0.020
 EQB  plan-3  O12  0.020
 EQB  plan-3  N13  0.020
 EQB  plan-3  C14  0.020
 EQB  plan-3  H25  0.020
 EQB  plan-4  C21  0.020
 EQB  plan-4  C14  0.020
 EQB  plan-4  C18  0.020
 EQB  plan-4  O19  0.020
 EQB  plan-4  N20  0.020
 EQB  plan-4  H30  0.020
 EQB  plan-5  C4   0.020
 EQB  plan-5  C1   0.020
 EQB  plan-5  O3   0.020
 EQB  plan-5  OXT  0.020

