# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 26 18:06:48 2020
#   Inital geometry file: a 143 line input string
#   Ligand name: 4-iodo-N-{[1-(2-oxo-2-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethyl)-1H-1,2,3-triazol-4-yl]methyl}benzenesulfonamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Ic1ccc(cc1)[S](=O)(=O)NCc2cn(CC(=O)N3CCC(CC3)c4onc(n4)c5sccc5)nn2
#
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
 O8H  O8H  4-iodo-N-{[1-(2-oxo-2-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethyl)-1H-1,2,3-triazol-4-yl]methyl}benzenesulfonamide  ligand  58  36  .  2021-08-17  2021-08-17  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_O8H
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
 O8H  C07   C  CR16  0  -0.222    6.3064   0.6047  -1.2138
 O8H  C05   C  CR16  0  -0.212    6.8420  -0.6508  -0.9780
 O8H  C04   C  CR6   0  -0.211    7.0944  -1.0481   0.3293
 O8H  I01   I  I     0   0.090    7.9045  -2.9501   0.6876
 O8H  C02   C  CR16  0  -0.212    6.8237  -0.2105   1.4012
 O8H  C10   C  CR16  0  -0.222    6.2884   1.0474   1.1628
 O8H  C09   C  CR6   0  -0.205    6.0322   1.4438  -0.1415
 O8H  S12   S  S     0   1.381    5.2925   3.0267  -0.4535
 O8H  O13   O  OS    0  -0.650    5.4675   3.8370   0.7391
 O8H  O16   O  OS    0  -0.648    5.7624   3.4992  -1.7433
 O8H  N14   N  NC1   0  -0.728    3.6781   2.7584  -0.6226
 O8H  C17   C  CH2   0  -0.357    2.9281   2.2359   0.5214
 O8H  C20   C  CR5   0   0.141    1.4985   2.0832   0.1451
 O8H  C24   C  CR15  0  -0.067    0.7838   0.9316  -0.0483
 O8H  N21   N  N     0  -0.302    0.6730   3.1278  -0.0921
 O8H  N22   N  N     0  -0.090   -0.4888   2.6825  -0.4124
 O8H  N23   N  NR5   0  -0.242   -0.4368   1.3612  -0.4001
 O8H  C26   C  CH2   0  -0.449   -1.6163   0.5765  -0.6359
 O8H  C29   C  C     0   0.556   -2.3750   0.3578   0.6756
 O8H  O31   O  O     0  -0.480   -1.9612   0.8653   1.7038
 O8H  N30   N  NT    0  -0.454   -3.4792  -0.4046   0.6065
 O8H  C43   C  CH2   0  -0.332   -3.9969  -1.0281  -0.5993
 O8H  C40   C  CH2   0  -0.419   -5.4066  -0.5393  -0.9018
 O8H  C32   C  CH2   0  -0.319   -4.2977  -0.6427   1.7842
 O8H  C35   C  CH2   0  -0.424   -5.7190  -0.1444   1.5629
 O8H  C38   C  CH1   0  -0.413   -6.3162  -0.7910   0.3063
 O8H  C46   C  CR5   0   0.571   -7.7061  -0.3328   0.0607
 O8H  N50   N  N     0  -0.461   -8.7957  -1.0247   0.0903
 O8H  O47   O  O     0  -0.328   -7.9291   0.9427  -0.2264
 O8H  N48   N  N     0  -0.156   -9.2779   1.1009  -0.4003
 O8H  C49   C  CR5   0   0.341   -9.7514  -0.0942  -0.2025
 O8H  C51   C  CR5   0  -0.279  -11.1542  -0.4278  -0.2828
 O8H  C52   C  CR15  0  -0.210  -12.2138   0.3858  -0.5767
 O8H  C54   C  CR15  0  -0.169  -13.4468  -0.3086  -0.5614
 O8H  C56   C  CR15  0  -0.460  -13.2972  -1.6300  -0.2561
 O8H  S58   S  S2    0   0.264  -11.6629  -2.0448   0.0138
 O8H  H07   H  HCR6  0   0.297    6.1155   0.9139  -2.2327
 O8H  H05   H  HCR6  0   0.294    7.0578  -1.3006  -1.8145
 O8H  H02   H  HCR6  0   0.295    7.0227  -0.5165   2.4185
 O8H  H10   H  HCR6  0   0.298    6.0859   1.7028   1.9988
 O8H  HN14  H  HNC1  0   0.418    3.4591   2.3041  -1.5036
 O8H  H17   H  HCH2  0   0.266    3.3094   1.2667   0.8587
 O8H  H17A  H  HCH2  0   0.287    3.0241   2.9391   1.3479
 O8H  H24   H  HCR5  0   0.318    1.0450  -0.1101   0.0309
 O8H  H26   H  HCH2  0   0.323   -2.2349   1.1026  -1.3636
 O8H  H26A  H  HCH2  0   0.317   -1.3114  -0.3681  -1.0847
 O8H  H43   H  HCH2  0   0.289   -3.3534  -0.8337  -1.4523
 O8H  H43A  H  HCH2  0   0.261   -4.0018  -2.1132  -0.4540
 O8H  H40   H  HCH2  0   0.251   -5.3760   0.5258  -1.1429
 O8H  H40A  H  HCH2  0   0.270   -5.7835  -1.0661  -1.7801
 O8H  H32   H  HCH2  0   0.253   -4.3080  -1.7176   1.9914
 O8H  H32A  H  HCH2  0   0.278   -3.8525  -0.1475   2.6421
 O8H  H35   H  HCH2  0   0.267   -6.3205  -0.3933   2.4388
 O8H  H35A  H  HCH2  0   0.250   -5.7128   0.9437   1.4643
 O8H  H38   H  HCH1  0   0.291   -6.3863  -1.8702   0.4702
 O8H  H52   H  HCR5  0   0.273  -12.1137   1.4396  -0.7949
 O8H  H54   H  HCR5  0   0.276  -14.4016   0.1517  -0.7682
 O8H  H56   H  HCR5  0   0.306  -14.0667  -2.3820  -0.1755

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
 O8H  C09  C07   aromatic  1.389  0.020  1.389
 O8H  C07  C05   aromatic  1.385  0.020  1.385
 O8H  C07  H07   single    0.930  0.020  1.080
 O8H  C05  C04   aromatic  1.389  0.020  1.389
 O8H  C05  H05   single    0.930  0.020  1.080
 O8H  C02  C04   aromatic  1.387  0.020  1.387
 O8H  C04  I01   single    2.098  0.020  2.098
 O8H  C10  C02   aromatic  1.388  0.020  1.388
 O8H  C02  H02   single    0.930  0.020  1.080
 O8H  C09  C10   aromatic  1.387  0.020  1.387
 O8H  C10  H10   single    0.930  0.020  1.080
 O8H  S12  C09   single    1.775  0.020  1.775
 O8H  O16  S12   double    1.452  0.020  1.452
 O8H  O13  S12   double    1.452  0.020  1.452
 O8H  S12  N14   single    1.645  0.020  1.645
 O8H  N14  C17   single    1.464  0.020  1.464
 O8H  N14  HN14  single    0.890  0.020  1.040
 O8H  C17  C20   single    1.486  0.020  1.486
 O8H  C17  H17   single    0.970  0.020  1.090
 O8H  C17  H17A  single    0.970  0.020  1.090
 O8H  C20  N21   aromatic  1.352  0.020  1.352
 O8H  C20  C24   aromatic  1.369  0.020  1.369
 O8H  C24  N23   aromatic  1.341  0.020  1.341
 O8H  C24  H24   single    0.930  0.020  1.080
 O8H  N21  N22   aromatic  1.285  0.020  1.285
 O8H  N22  N23   aromatic  1.322  0.020  1.322
 O8H  N23  C26   single    1.436  0.020  1.436
 O8H  C29  C26   single    1.531  0.020  1.531
 O8H  C26  H26   single    0.970  0.020  1.090
 O8H  C26  H26A  single    0.970  0.020  1.090
 O8H  O31  C29   double    1.219  0.020  1.219
 O8H  C29  N30   single    1.344  0.020  1.344
 O8H  C43  N30   single    1.453  0.020  1.453
 O8H  N30  C32   single    1.454  0.020  1.454
 O8H  C43  C40   single    1.522  0.020  1.522
 O8H  C43  H43   single    0.970  0.020  1.090
 O8H  C43  H43A  single    0.970  0.020  1.090
 O8H  C40  C38   single    1.533  0.020  1.533
 O8H  C40  H40   single    0.970  0.020  1.090
 O8H  C40  H40A  single    0.970  0.020  1.090
 O8H  C32  C35   single    1.522  0.020  1.522
 O8H  C32  H32   single    0.970  0.020  1.090
 O8H  C32  H32A  single    0.970  0.020  1.090
 O8H  C38  C35   single    1.534  0.020  1.534
 O8H  C35  H35   single    0.970  0.020  1.090
 O8H  C35  H35A  single    0.970  0.020  1.090
 O8H  C38  C46   single    1.484  0.020  1.484
 O8H  C38  H38   single    0.970  0.020  1.090
 O8H  N50  C46   aromatic  1.291  0.020  1.291
 O8H  C46  O47   aromatic  1.326  0.020  1.326
 O8H  N50  C49   aromatic  1.366  0.020  1.366
 O8H  N48  O47   aromatic  1.369  0.020  1.369
 O8H  C49  N48   aromatic  1.301  0.020  1.301
 O8H  C51  C49   single    1.444  0.020  1.444
 O8H  C52  C51   aromatic  1.368  0.020  1.368
 O8H  C51  S58   aromatic  1.721  0.020  1.721
 O8H  C54  C52   aromatic  1.415  0.020  1.415
 O8H  C52  H52   single    0.930  0.020  1.080
 O8H  C54  C56   aromatic  1.364  0.020  1.364
 O8H  C54  H54   single    0.930  0.020  1.080
 O8H  C56  S58   aromatic  1.708  0.020  1.708
 O8H  C56  H56   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
 O8H  H07   C07  C09  121.31  3.000
 O8H  H07   C07  C05  119.19  3.000
 O8H  C09   C07  C05  119.50  3.000
 O8H  H05   C05  C04  121.33  3.000
 O8H  H05   C05  C07  119.36  3.000
 O8H  C04   C05  C07  119.32  3.000
 O8H  C02   C04  I01  119.39  3.000
 O8H  I01   C04  C05  119.34  3.000
 O8H  C02   C04  C05  121.26  3.000
 O8H  H02   C02  C10  119.30  3.000
 O8H  H02   C02  C04  121.36  3.000
 O8H  C10   C02  C04  119.33  3.000
 O8H  H10   C10  C09  121.28  3.000
 O8H  H10   C10  C02  119.26  3.000
 O8H  C09   C10  C02  119.46  3.000
 O8H  S12   C09  C10  119.81  3.000
 O8H  S12   C09  C07  119.04  3.000
 O8H  C10   C09  C07  121.12  3.000
 O8H  N14   S12  O16  106.22  3.000
 O8H  N14   S12  O13  107.08  3.000
 O8H  O16   S12  O13  120.59  3.000
 O8H  N14   S12  C09  106.35  3.000
 O8H  O13   S12  C09  107.64  3.000
 O8H  O16   S12  C09  108.15  3.000
 O8H  HN14  N14  C17  114.07  3.000
 O8H  HN14  N14  S12  111.95  3.000
 O8H  C17   N14  S12  118.72  3.000
 O8H  H17A  C17  H17  107.88  3.000
 O8H  H17A  C17  C20  110.07  3.000
 O8H  H17   C17  C20  108.79  3.000
 O8H  H17A  C17  N14  108.49  3.000
 O8H  H17   C17  N14  112.22  3.000
 O8H  C20   C17  N14  109.36  3.000
 O8H  N21   C20  C24  107.84  3.000
 O8H  C24   C20  C17  128.63  3.000
 O8H  N21   C20  C17  123.52  3.000
 O8H  H24   C24  N23  123.36  3.000
 O8H  H24   C24  C20  132.59  3.000
 O8H  N23   C24  C20  104.05  3.000
 O8H  N22   N21  C20  109.15  3.000
 O8H  N23   N22  N21  107.97  3.000
 O8H  C26   N23  N22  120.81  3.000
 O8H  C26   N23  C24  128.00  3.000
 O8H  N22   N23  C24  110.99  3.000
 O8H  H26A  C26  H26  107.59  3.000
 O8H  H26A  C26  C29  111.58  3.000
 O8H  H26   C26  C29  111.08  3.000
 O8H  H26A  C26  N23  108.15  3.000
 O8H  H26   C26  N23  108.17  3.000
 O8H  C29   C26  N23  110.15  3.000
 O8H  N30   C29  O31  123.96  3.000
 O8H  N30   C29  C26  116.38  3.000
 O8H  O31   C29  C26  119.66  3.000
 O8H  C32   N30  C43  113.67  3.000
 O8H  C32   N30  C29  120.92  3.000
 O8H  C43   N30  C29  125.39  3.000
 O8H  H43A  C43  H43  106.52  3.000
 O8H  H43A  C43  C40  109.91  3.000
 O8H  H43   C43  C40  109.58  3.000
 O8H  H43A  C43  N30  108.47  3.000
 O8H  H43   C43  N30  111.34  3.000
 O8H  C40   C43  N30  110.92  3.000
 O8H  H40A  C40  H40  107.62  3.000
 O8H  H40A  C40  C38  110.49  3.000
 O8H  H40   C40  C38  110.52  3.000
 O8H  H40A  C40  C43  108.95  3.000
 O8H  H40   C40  C43  109.32  3.000
 O8H  C38   C40  C43  109.89  3.000
 O8H  H32A  C32  H32  107.58  3.000
 O8H  H32A  C32  C35  110.39  3.000
 O8H  H32   C32  C35  109.89  3.000
 O8H  H32A  C32  N30  109.54  3.000
 O8H  H32   C32  N30  108.63  3.000
 O8H  C35   C32  N30  110.75  3.000
 O8H  H35A  C35  H35  107.61  3.000
 O8H  H35A  C35  C38  110.36  3.000
 O8H  H35   C35  C38  110.29  3.000
 O8H  H35A  C35  C32  109.50  3.000
 O8H  H35   C35  C32  108.87  3.000
 O8H  C38   C35  C32  110.16  3.000
 O8H  H38   C38  C46  105.63  3.000
 O8H  H38   C38  C35  108.54  3.000
 O8H  C46   C38  C35  111.72  3.000
 O8H  H38   C38  C40  108.54  3.000
 O8H  C46   C38  C40  112.00  3.000
 O8H  C35   C38  C40  110.20  3.000
 O8H  O47   C46  N50  112.24  3.000
 O8H  O47   C46  C38  119.36  3.000
 O8H  N50   C46  C38  128.40  3.000
 O8H  C49   N50  C46  102.74  3.000
 O8H  N48   O47  C46  107.71  3.000
 O8H  C49   N48  O47  103.49  3.000
 O8H  C51   C49  N48  123.88  3.000
 O8H  C51   C49  N50  122.30  3.000
 O8H  N48   C49  N50  113.82  3.000
 O8H  S58   C51  C52  111.52  3.000
 O8H  S58   C51  C49  119.65  3.000
 O8H  C52   C51  C49  128.83  3.000
 O8H  H52   C52  C54  124.15  3.000
 O8H  H52   C52  C51  123.47  3.000
 O8H  C54   C52  C51  112.38  3.000
 O8H  H54   C54  C56  123.55  3.000
 O8H  H54   C54  C52  123.99  3.000
 O8H  C56   C54  C52  112.46  3.000
 O8H  H56   C56  S58  120.09  3.000
 O8H  H56   C56  C54  127.84  3.000
 O8H  S58   C56  C54  112.06  3.000
 O8H  C56   S58  C51   91.57  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
 O8H  CONST_01  C02  C10  C09  C07     0.00   0.0  0
 O8H  CONST_02  C02  C04  C05  C07     0.00   0.0  0
 O8H  CONST_03  C10  C09  C07  C05     0.00   0.0  0
 O8H  CONST_04  C10  C02  C04  C05     0.00   0.0  0
 O8H  CONST_05  C09  C07  C05  C04     0.00   0.0  0
 O8H  CONST_06  C09  C10  C02  C04     0.00   0.0  0
 O8H  CONST_07  N23  N22  N21  C20     0.00   0.0  0
 O8H  CONST_08  N22  N23  C24  C20     0.00   0.0  0
 O8H  CONST_09  N22  N21  C20  C24     0.00   0.0  0
 O8H  CONST_10  N21  N22  N23  C24     0.00   0.0  0
 O8H  CONST_11  N23  C24  C20  N21     0.00   0.0  0
 O8H  CONST_12  N48  C49  N50  C46     0.00   0.0  0
 O8H  CONST_13  C51  C49  N50  C46   180.00   0.0  0
 O8H  CONST_14  C49  N48  O47  C46     0.00   0.0  0
 O8H  CONST_15  N48  O47  C46  N50     0.00   0.0  0
 O8H  CONST_16  O47  N48  C49  N50     0.00   0.0  0
 O8H  CONST_17  C52  C51  C49  N50   180.00   0.0  0
 O8H  CONST_18  S58  C51  C49  N50     0.00   0.0  0
 O8H  CONST_19  C49  N50  C46  O47     0.00   0.0  0
 O8H  CONST_20  C51  C49  N48  O47   180.00   0.0  0
 O8H  CONST_21  C52  C51  C49  N48     0.00   0.0  0
 O8H  CONST_22  S58  C51  C49  N48   180.00   0.0  0
 O8H  CONST_23  C54  C52  C51  C49   180.00   0.0  0
 O8H  CONST_24  C56  S58  C51  C49   180.00   0.0  0
 O8H  CONST_25  C56  C54  C52  C51     0.00   0.0  0
 O8H  CONST_26  C54  C56  S58  C51     0.00   0.0  0
 O8H  CONST_27  C56  S58  C51  C52     0.00   0.0  0
 O8H  CONST_28  S58  C56  C54  C52     0.00   0.0  0
 O8H  CONST_29  S58  C51  C52  C54     0.00   0.0  0
 O8H  CONST_30  C49  N50  C46  C38   180.00   0.0  0
 O8H  CONST_31  N48  O47  C46  C38   180.00   0.0  0
 O8H  CONST_32  I01  C04  C05  C07   180.00   0.0  0
 O8H  CONST_33  S12  C09  C07  C05   180.00   0.0  0
 O8H  CONST_34  C10  C02  C04  I01   180.00   0.0  0
 O8H  CONST_35  S12  C09  C10  C02   180.00   0.0  0
 O8H  CONST_36  N22  N21  C20  C17   180.00   0.0  0
 O8H  CONST_37  N23  C24  C20  C17   180.00   0.0  0
 O8H  CONST_38  C26  N23  C24  C20   180.00   0.0  0
 O8H  CONST_39  C26  N23  N22  N21   180.00   0.0  0
 O8H  CONST_40  H10  C10  C09  C07   180.00   0.0  0
 O8H  CONST_41  H02  C02  C04  C05   180.00   0.0  0
 O8H  CONST_42  H07  C07  C05  C04   180.00   0.0  0
 O8H  CONST_43  H05  C05  C04  C02   180.00   0.0  0
 O8H  CONST_44  H24  C24  C20  N21   180.00   0.0  0
 O8H  CONST_45  H52  C52  C51  C49     0.00   0.0  0
 O8H  CONST_46  H54  C54  C52  C51   180.00   0.0  0
 O8H  CONST_47  H56  C56  S58  C51   180.00   0.0  0
 O8H  CONST_48  C43  N30  C29  C26     0.00   0.0  0
 O8H  CONST_49  C32  N30  C29  C26   180.00   0.0  0
 O8H  CONST_50  C43  N30  C29  O31   180.00   0.0  0
 O8H  CONST_51  C32  N30  C29  O31     0.00   0.0  0
 O8H  Var_01    C38  C40  C43  N30   -55.81  30.0  1
 O8H  Var_02    C38  C35  C32  N30    55.49  30.0  1
 O8H  Var_03    C35  C32  N30  C43   -57.91  30.0  1
 O8H  Var_04    C32  N30  C43  C40    58.18  30.0  1
 O8H  Var_05    O16  S12  C09  C07   -32.02  30.0  2
 O8H  Var_06    N21  C20  C17  N14   -68.90  30.0  2
 O8H  Var_07    C29  C26  N23  C24    87.56  30.0  2
 O8H  Var_08    N30  C29  C26  N23  -177.72  30.0  2
 O8H  Var_09    C17  N14  S12  C09    63.36  30.0  3
 O8H  Var_10    C20  C17  N14  S12   179.57  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
 O8H  chir_01  C38  C40  C35  C46  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
 O8H  plan-1  C17  0.020
 O8H  plan-1  C20  0.020
 O8H  plan-1  C24  0.020
 O8H  plan-1  N21  0.020
 O8H  plan-1  N22  0.020
 O8H  plan-1  N23  0.020
 O8H  plan-1  C26  0.020
 O8H  plan-1  H24  0.020
 O8H  plan-2  C38  0.020
 O8H  plan-2  C46  0.020
 O8H  plan-2  N50  0.020
 O8H  plan-2  O47  0.020
 O8H  plan-2  N48  0.020
 O8H  plan-2  C49  0.020
 O8H  plan-2  C51  0.020
 O8H  plan-3  C49  0.020
 O8H  plan-3  C51  0.020
 O8H  plan-3  C52  0.020
 O8H  plan-3  C54  0.020
 O8H  plan-3  C56  0.020
 O8H  plan-3  S58  0.020
 O8H  plan-3  H52  0.020
 O8H  plan-3  H54  0.020
 O8H  plan-3  H56  0.020
 O8H  plan-4  C07  0.020
 O8H  plan-4  C05  0.020
 O8H  plan-4  C04  0.020
 O8H  plan-4  I01  0.020
 O8H  plan-4  C02  0.020
 O8H  plan-4  C10  0.020
 O8H  plan-4  C09  0.020
 O8H  plan-4  S12  0.020
 O8H  plan-4  H07  0.020
 O8H  plan-4  H05  0.020
 O8H  plan-4  H02  0.020
 O8H  plan-4  H10  0.020
 O8H  plan-5  C26  0.020
 O8H  plan-5  C29  0.020
 O8H  plan-5  O31  0.020
 O8H  plan-5  N30  0.020
 O8H  plan-5  C43  0.020
 O8H  plan-5  C32  0.020

