# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May 10 05:13:24 2020
#   Inital geometry file: a 141 line input string
#   Ligand name: 4-methyl-5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1nc(N)ncc1c2nc3cc(CN4CCN(CC4)[S](C)(=O)=O)sc3c(n2)N5CCOCC5
#
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
 JZY  JZY  4-methyl-5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine  ligand  62  34  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_JZY
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
 JZY  C1    C  CR6   0   0.576  -2.3959  -1.7477  -0.4305
 JZY  N2    N  N     0  -0.511  -3.2328  -0.8130  -0.0045
 JZY  C3    C  CR6   0   0.339  -2.8592   0.4702   0.0442
 JZY  N4    N  N     0  -0.475  -1.6774   0.9377  -0.3007
 JZY  C5    C  CR56  0   0.337  -0.7861   0.0164  -0.6909
 JZY  C6    C  CR56  0  -0.349  -1.0876  -1.3457  -0.7905
 JZY  S7    S  S2    0   0.210   0.3208  -2.2500  -1.2325
 JZY  C8    C  CR5   0  -0.169   1.2804  -0.8131  -1.3238
 JZY  C9    C  CR15  0  -0.234   0.5761   0.3009  -1.0156
 JZY  N10   N  NT    0  -0.513  -2.8376  -3.0321  -0.4349
 JZY  C11   C  CH2   0  -0.320  -4.1511  -3.3405   0.1111
 JZY  C12   C  CH2   0  -0.188  -4.1463  -4.7600   0.6493
 JZY  O13   O  O2    0  -0.481  -3.7591  -5.7019  -0.3256
 JZY  C14   C  CH2   0  -0.178  -2.4783  -5.4070  -0.8308
 JZY  C15   C  CH2   0  -0.336  -2.4268  -4.0137  -1.4276
 JZY  C16   C  CR6   0  -0.160  -3.8953   1.4147   0.4934
 JZY  C17   C  CR16  0  -0.011  -5.2347   1.0290   0.4415
 JZY  N18   N  N     0  -0.455  -6.2463   1.7944   0.7947
 JZY  C19   C  CR6   0   0.551  -5.9216   3.0165   1.2343
 JZY  N20   N  N     0  -0.478  -4.6770   3.4893   1.3478
 JZY  C21   C  CR6   0   0.293  -3.6654   2.7144   0.9854
 JZY  C22   C  CH3   0  -0.727  -2.3087   3.3186   1.1677
 JZY  N23   N  NH2   0  -0.817  -6.9222   3.8244   1.6091
 JZY  C24   C  CH2   0  -0.316   2.7184  -0.9006  -1.7375
 JZY  N25   N  NT    0  -0.422   3.5010   0.1126  -1.0703
 JZY  C26   C  CH2   0  -0.281   4.7428   0.4174  -1.7521
 JZY  C27   C  CH2   0  -0.312   5.4170   1.6033  -1.0893
 JZY  N28   N  N     0  -0.584   5.6479   1.2884   0.3206
 JZY  C29   C  CH2   0  -0.308   4.4141   0.9459   1.0291
 JZY  C30   C  CH2   0  -0.283   3.7520  -0.2169   0.3186
 JZY  S31   S  S     0   1.349   6.7622   2.2011   1.1307
 JZY  O32   O  OS    0  -0.668   6.8983   1.6283   2.4617
 JZY  O33   O  OS    0  -0.668   7.9399   2.2957   0.2809
 JZY  C34   C  CH3   0  -0.804   6.0732   3.8334   1.3001
 JZY  H9    H  HCR5  0   0.264   1.0015   1.2936  -0.9943
 JZY  H11   H  HCH2  0   0.272  -4.3864  -2.6557   0.9218
 JZY  H11A  H  HCH2  0   0.236  -4.9254  -3.2211  -0.6571
 JZY  H12   H  HCH2  0   0.209  -3.4770  -4.8098   1.5195
 JZY  H12A  H  HCH2  0   0.246  -5.1504  -5.0262   0.9813
 JZY  H14   H  HCH2  0   0.210  -1.7174  -5.4964  -0.0430
 JZY  H14A  H  HCH2  0   0.247  -2.2516  -6.1419  -1.6043
 JZY  H15   H  HCH2  0   0.252  -3.0982  -3.9575  -2.2937
 JZY  H15A  H  HCH2  0   0.260  -1.4227  -3.8289  -1.7993
 JZY  H17   H  HCR6  0   0.269  -5.4855   0.0376   0.0821
 JZY  H22   H  HCH3  0   0.257  -1.8499   3.5448   0.2062
 JZY  H22A  H  HCH3  0   0.244  -2.3988   4.2394   1.7402
 JZY  H22B  H  HCH3  0   0.249  -1.6291   2.6387   1.6782
 JZY  HN23  H  HNH2  0   0.401  -7.8767   3.5434   1.4720
 JZY  HN2A  H  HNH2  0   0.401  -6.7338   4.7772   1.8651
 JZY  H24   H  HCH2  0   0.231   3.1023  -1.9195  -1.5669
 JZY  H24A  H  HCH2  0   0.281   2.7759  -0.7339  -2.8171
 JZY  H26   H  HCH2  0   0.212   5.4376  -0.4373  -1.7596
 JZY  H26A  H  HCH2  0   0.257   4.5294   0.6787  -2.7902
 JZY  H27   H  HCH2  0   0.276   6.3645   1.8028  -1.5848
 JZY  H27A  H  HCH2  0   0.238   4.7767   2.4878  -1.1941
 JZY  H29   H  HCH2  0   0.276   4.6429   0.6559   2.0521
 JZY  H29A  H  HCH2  0   0.238   3.7221   1.7965   1.0538
 JZY  H30   H  HCH2  0   0.260   2.8064  -0.4296   0.8202
 JZY  H30A  H  HCH2  0   0.216   4.3873  -1.1127   0.4126
 JZY  H34   H  HCH3  0   0.291   5.1634   3.7875   1.8949
 JZY  H34A  H  HCH3  0   0.310   6.8106   4.4541   1.8065
 JZY  H34B  H  HCH3  0   0.291   5.8599   4.2479   0.3170

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
 JZY  C1   N2    aromatic  1.325  0.020  1.325
 JZY  C1   C6    aromatic  1.415  0.020  1.415
 JZY  C1   N10   single    1.358  0.020  1.358
 JZY  N2   C3    aromatic  1.337  0.020  1.337
 JZY  C3   N4    aromatic  1.317  0.020  1.317
 JZY  C3   C16   single    1.472  0.020  1.472
 JZY  N4   C5    aromatic  1.340  0.020  1.340
 JZY  C5   C6    aromatic  1.399  0.020  1.399
 JZY  C5   C9    aromatic  1.429  0.020  1.429
 JZY  C6   S7    aromatic  1.731  0.020  1.731
 JZY  S7   C8    aromatic  1.730  0.020  1.730
 JZY  C8   C9    aromatic  1.354  0.020  1.354
 JZY  C8   C24   single    1.499  0.020  1.499
 JZY  N10  C11   single    1.456  0.020  1.456
 JZY  N10  C15   single    1.455  0.020  1.455
 JZY  C11  C12   single    1.518  0.020  1.518
 JZY  C12  O13   single    1.410  0.020  1.410
 JZY  O13  C14   single    1.408  0.020  1.408
 JZY  C14  C15   single    1.517  0.020  1.517
 JZY  C16  C17   aromatic  1.395  0.020  1.395
 JZY  C16  C21   aromatic  1.409  0.020  1.409
 JZY  C17  N18   aromatic  1.317  0.020  1.317
 JZY  N18  C19   aromatic  1.339  0.020  1.339
 JZY  C19  N20   aromatic  1.336  0.020  1.336
 JZY  C19  N23   single    1.340  0.020  1.340
 JZY  N20  C21   aromatic  1.325  0.020  1.325
 JZY  C21  C22   single    1.496  0.020  1.496
 JZY  C24  N25   single    1.444  0.020  1.444
 JZY  N25  C26   single    1.449  0.020  1.449
 JZY  N25  C30   single    1.449  0.020  1.449
 JZY  C26  C27   single    1.517  0.020  1.517
 JZY  C27  N28   single    1.463  0.020  1.463
 JZY  N28  C29   single    1.463  0.020  1.463
 JZY  N28  S31   single    1.652  0.020  1.652
 JZY  C29  C30   single    1.515  0.020  1.515
 JZY  S31  O32   double    1.455  0.020  1.455
 JZY  S31  O33   double    1.455  0.020  1.455
 JZY  S31  C34   single    1.780  0.020  1.780
 JZY  C9   H9    single    0.930  0.020  1.080
 JZY  C11  H11   single    0.970  0.020  1.090
 JZY  C11  H11A  single    0.970  0.020  1.090
 JZY  C12  H12   single    0.970  0.020  1.090
 JZY  C12  H12A  single    0.970  0.020  1.090
 JZY  C14  H14   single    0.970  0.020  1.090
 JZY  C14  H14A  single    0.970  0.020  1.090
 JZY  C15  H15   single    0.970  0.020  1.090
 JZY  C15  H15A  single    0.970  0.020  1.090
 JZY  C17  H17   single    0.930  0.020  1.080
 JZY  C22  H22   single    0.970  0.020  1.090
 JZY  C22  H22A  single    0.970  0.020  1.090
 JZY  C22  H22B  single    0.970  0.020  1.090
 JZY  N23  HN23  single    0.860  0.020  1.020
 JZY  N23  HN2A  single    0.860  0.020  1.020
 JZY  C24  H24   single    0.970  0.020  1.090
 JZY  C24  H24A  single    0.970  0.020  1.090
 JZY  C26  H26   single    0.970  0.020  1.090
 JZY  C26  H26A  single    0.970  0.020  1.090
 JZY  C27  H27   single    0.970  0.020  1.090
 JZY  C27  H27A  single    0.970  0.020  1.090
 JZY  C29  H29   single    0.970  0.020  1.090
 JZY  C29  H29A  single    0.970  0.020  1.090
 JZY  C30  H30   single    0.970  0.020  1.090
 JZY  C30  H30A  single    0.970  0.020  1.090
 JZY  C34  H34   single    0.970  0.020  1.090
 JZY  C34  H34A  single    0.970  0.020  1.090
 JZY  C34  H34B  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
 JZY  N10   C1   C6    124.64  3.000
 JZY  N10   C1   N2    117.57  3.000
 JZY  C6    C1   N2    117.73  3.000
 JZY  C3    N2   C1    120.81  3.000
 JZY  C16   C3   N4    118.93  3.000
 JZY  C16   C3   N2    115.47  3.000
 JZY  N4    C3   N2    125.58  3.000
 JZY  C5    N4   C3    115.41  3.000
 JZY  C9    C5   C6    112.53  3.000
 JZY  C9    C5   N4    124.29  3.000
 JZY  C6    C5   N4    123.16  3.000
 JZY  S7    C6   C5    110.58  3.000
 JZY  S7    C6   C1    131.97  3.000
 JZY  C5    C6   C1    117.24  3.000
 JZY  C8    S7   C6     91.77  3.000
 JZY  C24   C8   C9    127.59  3.000
 JZY  C24   C8   S7    119.88  3.000
 JZY  C9    C8   S7    112.52  3.000
 JZY  H9    C9   C8    123.78  3.000
 JZY  H9    C9   C5    123.64  3.000
 JZY  C8    C9   C5    112.57  3.000
 JZY  C15   N10  C11   111.58  3.000
 JZY  C15   N10  C1    123.25  3.000
 JZY  C11   N10  C1    119.51  3.000
 JZY  H11A  C11  H11   107.51  3.000
 JZY  H11A  C11  C12   110.62  3.000
 JZY  H11   C11  C12   108.99  3.000
 JZY  H11A  C11  N10   110.56  3.000
 JZY  H11   C11  N10   109.98  3.000
 JZY  C12   C11  N10   109.16  3.000
 JZY  H12A  C12  H12   107.98  3.000
 JZY  H12A  C12  O13   107.48  3.000
 JZY  H12   C12  O13   110.49  3.000
 JZY  H12A  C12  C11   109.46  3.000
 JZY  H12   C12  C11   108.96  3.000
 JZY  O13   C12  C11   112.36  3.000
 JZY  C14   O13  C12   110.98  3.000
 JZY  H14A  C14  H14   108.04  3.000
 JZY  H14A  C14  C15   109.44  3.000
 JZY  H14   C14  C15   109.46  3.000
 JZY  H14A  C14  O13   107.60  3.000
 JZY  H14   C14  O13   110.83  3.000
 JZY  C15   C14  O13   111.38  3.000
 JZY  H15A  C15  H15   106.66  3.000
 JZY  H15A  C15  C14   108.80  3.000
 JZY  H15   C15  C14   109.68  3.000
 JZY  H15A  C15  N10   112.30  3.000
 JZY  H15   C15  N10   109.34  3.000
 JZY  C14   C15  N10   109.98  3.000
 JZY  C21   C16  C17   115.15  3.000
 JZY  C21   C16  C3    125.71  3.000
 JZY  C17   C16  C3    119.14  3.000
 JZY  H17   C17  N18   116.28  3.000
 JZY  H17   C17  C16   119.18  3.000
 JZY  N18   C17  C16   124.54  3.000
 JZY  C19   N18  C17   115.62  3.000
 JZY  N23   C19  N20   117.30  3.000
 JZY  N23   C19  N18   117.47  3.000
 JZY  N20   C19  N18   125.23  3.000
 JZY  C21   N20  C19   118.75  3.000
 JZY  C22   C21  N20   115.01  3.000
 JZY  C22   C21  C16   124.27  3.000
 JZY  N20   C21  C16   120.70  3.000
 JZY  H22B  C22  H22A  109.48  3.000
 JZY  H22B  C22  H22   106.31  3.000
 JZY  H22A  C22  H22   108.88  3.000
 JZY  H22B  C22  C21   111.78  3.000
 JZY  H22A  C22  C21   109.32  3.000
 JZY  H22   C22  C21   110.99  3.000
 JZY  HN2A  N23  HN23  118.58  3.000
 JZY  HN2A  N23  C19   120.22  3.000
 JZY  HN23  N23  C19   120.20  3.000
 JZY  H24A  C24  H24   105.98  3.000
 JZY  H24A  C24  N25   108.71  3.000
 JZY  H24   C24  N25   112.86  3.000
 JZY  H24A  C24  C8    108.29  3.000
 JZY  H24   C24  C8    110.21  3.000
 JZY  N25   C24  C8    110.58  3.000
 JZY  C30   N25  C26   110.51  3.000
 JZY  C30   N25  C24   112.16  3.000
 JZY  C26   N25  C24   113.25  3.000
 JZY  H26A  C26  H26   107.61  3.000
 JZY  H26A  C26  C27   108.38  3.000
 JZY  H26   C26  C27   109.22  3.000
 JZY  H26A  C26  N25   109.29  3.000
 JZY  H26   C26  N25   112.37  3.000
 JZY  C27   C26  N25   109.86  3.000
 JZY  H27A  C27  H27   108.48  3.000
 JZY  H27A  C27  N28   110.96  3.000
 JZY  H27   C27  N28   109.94  3.000
 JZY  H27A  C27  C26   109.22  3.000
 JZY  H27   C27  C26   109.36  3.000
 JZY  N28   C27  C26   108.85  3.000
 JZY  S31   N28  C29   117.41  3.000
 JZY  S31   N28  C27   117.38  3.000
 JZY  C29   N28  C27   112.57  3.000
 JZY  H29A  C29  H29   108.56  3.000
 JZY  H29A  C29  C30   109.27  3.000
 JZY  H29   C29  C30   109.17  3.000
 JZY  H29A  C29  N28   111.19  3.000
 JZY  H29   C29  N28   109.90  3.000
 JZY  C30   C29  N28   108.72  3.000
 JZY  H30A  C30  H30   107.56  3.000
 JZY  H30A  C30  C29   109.38  3.000
 JZY  H30   C30  C29   108.22  3.000
 JZY  H30A  C30  N25   111.49  3.000
 JZY  H30   C30  N25   109.55  3.000
 JZY  C29   C30  N25   110.53  3.000
 JZY  C34   S31  O33   108.01  3.000
 JZY  C34   S31  O32   108.06  3.000
 JZY  O33   S31  O32   118.94  3.000
 JZY  C34   S31  N28   106.99  3.000
 JZY  O33   S31  N28   107.18  3.000
 JZY  O32   S31  N28   107.10  3.000
 JZY  H34B  C34  H34A  109.62  3.000
 JZY  H34B  C34  H34   110.25  3.000
 JZY  H34A  C34  H34   109.64  3.000
 JZY  H34B  C34  S31   109.83  3.000
 JZY  H34A  C34  S31   107.76  3.000
 JZY  H34   C34  S31   109.70  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
 JZY  CONST_01  N4    C3   N2   C1      0.00   0.0  0
 JZY  CONST_02  C16   C3   N2   C1    180.00   0.0  0
 JZY  CONST_03  N4    C5   C6   C1      0.00   0.0  0
 JZY  CONST_04  C9    C5   C6   C1    180.00   0.0  0
 JZY  CONST_05  C8    S7   C6   C1    180.00   0.0  0
 JZY  CONST_06  C5    C6   C1   N2      0.00   0.0  0
 JZY  CONST_07  S7    C6   C1   N2    180.00   0.0  0
 JZY  CONST_08  C5    N4   C3   N2      0.00   0.0  0
 JZY  CONST_11  C6    C1   N2   C3      0.00   0.0  0
 JZY  CONST_12  C6    C5   N4   C3      0.00   0.0  0
 JZY  CONST_13  C9    C5   N4   C3    180.00   0.0  0
 JZY  CONST_14  N18   C17  C16  C3    180.00   0.0  0
 JZY  CONST_15  N20   C21  C16  C3    180.00   0.0  0
 JZY  CONST_18  S7    C6   C5   N4    180.00   0.0  0
 JZY  CONST_19  C8    C9   C5   N4    180.00   0.0  0
 JZY  CONST_20  C16   C3   N4   C5    180.00   0.0  0
 JZY  CONST_21  C8    S7   C6   C5      0.00   0.0  0
 JZY  CONST_22  S7    C8   C9   C5      0.00   0.0  0
 JZY  CONST_23  C8    C9   C5   C6      0.00   0.0  0
 JZY  CONST_24  C9    C8   S7   C6      0.00   0.0  0
 JZY  CONST_25  C9    C5   C6   S7      0.00   0.0  0
 JZY  CONST_26  C19   N18  C17  C16     0.00   0.0  0
 JZY  CONST_27  C19   N20  C21  C16     0.00   0.0  0
 JZY  CONST_28  N20   C21  C16  C17     0.00   0.0  0
 JZY  CONST_29  N20   C19  N18  C17     0.00   0.0  0
 JZY  CONST_30  C21   C16  C17  N18     0.00   0.0  0
 JZY  CONST_31  C21   N20  C19  N18     0.00   0.0  0
 JZY  CONST_32  N10   C1   N2   C3    180.00   0.0  0
 JZY  CONST_33  N10   C1   C6   C5    180.00   0.0  0
 JZY  CONST_34  N10   C1   C6   S7      0.00   0.0  0
 JZY  CONST_35  C22   C21  C16  C3      0.00   0.0  0
 JZY  CONST_36  C24   C8   C9   C5    180.00   0.0  0
 JZY  CONST_37  C24   C8   S7   C6    180.00   0.0  0
 JZY  CONST_38  C22   C21  C16  C17   180.00   0.0  0
 JZY  CONST_39  N23   C19  N18  C17   180.00   0.0  0
 JZY  CONST_40  C22   C21  N20  C19   180.00   0.0  0
 JZY  CONST_41  N23   C19  N20  C21   180.00   0.0  0
 JZY  CONST_42  H17   C17  C16  C3      0.00   0.0  0
 JZY  CONST_43  H9    C9   C5   N4      0.00   0.0  0
 JZY  CONST_44  HN23  N23  C19  N18     0.00   0.0  0
 JZY  CONST_45  HN2A  N23  C19  N18   180.00   0.0  0
 JZY  Var_01    C12   C11  N10  C1   -151.20  30.0  1
 JZY  Var_02    C14   C15  N10  C1    151.58  30.0  1
 JZY  Var_03    C11   N10  C1   N2     -4.48  30.0  2
 JZY  Var_04    O13   C12  C11  N10   -55.84  30.0  1
 JZY  Var_05    O13   C14  C15  N10    56.36  30.0  1
 JZY  Var_06    C15   C14  O13  C12   -57.84  30.0  1
 JZY  Var_07    N28   C27  C26  N25    57.88  30.0  1
 JZY  Var_08    N28   C29  C30  N25   -56.95  30.0  1
 JZY  Var_09    C29   C30  N25  C26    60.04  30.0  1
 JZY  Var_10    C29   N28  C27  C26   -57.45  30.0  1
 JZY  Var_11    C30   N25  C26  C27   -60.25  30.0  1
 JZY  Var_12    C30   C29  N28  C27    56.79  30.0  1
 JZY  Var_13    N25   C24  C8   S7   -147.41  30.0  2
 JZY  Var_14    C26   N25  C24  C8   -158.62  30.0  3
 JZY  Var_15    O32   S31  N28  C27  -175.10  30.0  3
 JZY  Var_16    H22   C22  C21  C16    71.12  30.0  2
 JZY  Var_17    H34   C34  S31  N28    62.36  30.0  3

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
 JZY  plan-1  C3    0.020
 JZY  plan-1  C16   0.020
 JZY  plan-1  C17   0.020
 JZY  plan-1  N18   0.020
 JZY  plan-1  C19   0.020
 JZY  plan-1  N20   0.020
 JZY  plan-1  C21   0.020
 JZY  plan-1  C22   0.020
 JZY  plan-1  N23   0.020
 JZY  plan-1  H17   0.020
 JZY  plan-2  C19   0.020
 JZY  plan-2  N23   0.020
 JZY  plan-2  HN23  0.020
 JZY  plan-2  HN2A  0.020
 JZY  plan-3  C1    0.020
 JZY  plan-3  N2    0.020
 JZY  plan-3  C3    0.020
 JZY  plan-3  N4    0.020
 JZY  plan-3  C5    0.020
 JZY  plan-3  C6    0.020
 JZY  plan-3  S7    0.020
 JZY  plan-3  C8    0.020
 JZY  plan-3  C9    0.020
 JZY  plan-3  N10   0.020
 JZY  plan-3  C16   0.020
 JZY  plan-3  C24   0.020
 JZY  plan-3  H9    0.020

