# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Tue Jun  2 22:47:48 2020
#   Inital geometry file: a 345 line input string
#   Ligand name: "7-[6-[6-[2-(1-adamantyl)ethanoylamino]hexanoylamino]hexanoylamino]-N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(3S)-5-methyl-1-methylsulfonyl-hexan-3-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]heptanamide"
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)C[C@@H](CC[S](C)(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(CC(C3)C1)C2
#
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
 KNM  KNM  "ADA-(AHX)3-(LEU)3-VINYL SULFONE"  ligand  158  66  .  2021-08-12  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_KNM
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
 KNM  O1   O  O     0  -0.499   -7.4113  -0.4717  -0.4597
 KNM  C1   C  C     0   0.557   -6.7487   0.5435  -0.6345
 KNM  C2   C  CH2   0  -0.561   -5.4245   0.5192  -1.3608
 KNM  N1   N  NH1   0  -0.640   -7.1483   1.7371  -0.1665
 KNM  C3   C  CH1   0  -0.175   -8.3903   1.8979   0.5482
 KNM  C4   C  CH2   0  -0.449   -8.4724   3.3300   1.0825
 KNM  C5   C  CH1   0  -0.254   -9.7266   3.6698   1.8899
 KNM  C6   C  CH3   0  -0.652   -9.8851   2.7953   3.1293
 KNM  C7   C  CH3   0  -0.649   -9.6835   5.1435   2.2838
 KNM  C8   C  C     0   0.561   -9.5716   1.6234  -0.3837
 KNM  N2   N  NH1   0  -0.615  -10.5356   0.8571   0.1464
 KNM  C9   C  CH1   0  -0.249  -11.7988   0.5748  -0.4810
 KNM  C10  C  CH2   0  -0.408  -11.9466  -0.9156  -0.8160
 KNM  C11  C  CH1   0  -0.245  -10.9252  -1.4499  -1.8201
 KNM  C12  C  CH3   0  -0.651  -11.0636  -2.9656  -1.9274
 KNM  C13  C  CH3   0  -0.666  -11.0796  -0.8005  -3.1919
 KNM  C14  C  C     0   0.574  -12.9303   0.9902   0.4586
 KNM  O2   O  O     0  -0.481  -12.7900   0.9807   1.6716
 KNM  N3   N  NH1   0  -0.636  -14.0770   1.3038  -0.1649
 KNM  C15  C  CH1   0  -0.089  -15.3173   1.6410   0.5087
 KNM  C17  C  CH2   0  -0.405  -15.9030   2.8996  -0.1329
 KNM  C18  C  CH1   0  -0.257  -17.2083   3.4124   0.4785
 KNM  C19  C  CH3   0  -0.663  -17.0743   3.6775   1.9745
 KNM  C20  C  CH3   0  -0.647  -17.6528   4.6766  -0.2515
 KNM  O3   O  O     0  -0.488   -9.6214   2.1220  -1.4969
 KNM  C21  C  CH2   0  -0.432  -16.3007   0.4667   0.4795
 KNM  S1   S  S     0   1.199  -16.9293  -2.0942   1.1550
 KNM  O4   O  OS    0  -0.689  -17.9914  -1.6786   2.0730
 KNM  O5   O  OS    0  -0.689  -17.3120  -2.4524  -0.2118
 KNM  C22  C  CH3   0  -0.785  -16.0581  -3.4637   1.8808
 KNM  H1   H  HCH2  0   0.259   -5.6077   0.1385  -2.3696
 KNM  H2   H  HCH2  0   0.248   -5.0109   1.5243  -1.4721
 KNM  H4   H  HNH1  0   0.403   -6.6007   2.5579  -0.3686
 KNM  H5   H  HCH1  0   0.266   -8.4037   1.1957   1.3871
 KNM  H6   H  HCH2  0   0.245   -7.5903   3.5021   1.7088
 KNM  H7   H  HCH2  0   0.242   -8.3975   4.0192   0.2351
 KNM  H8   H  HCH1  0   0.230  -10.6061   3.5258   1.2529
 KNM  H9   H  HCH3  0   0.231  -10.7436   3.1188   3.7191
 KNM  H10  H  HCH3  0   0.221  -10.0476   1.7448   2.8887
 KNM  H11  H  HCH3  0   0.216   -9.0003   2.8602   3.7664
 KNM  H12  H  HCH3  0   0.227   -9.5679   5.7869   1.4101
 KNM  H13  H  HCH3  0   0.229  -10.6011   5.4393   2.7942
 KNM  H14  H  HCH3  0   0.216   -8.8492   5.3453   2.9599
 KNM  H15  H  HNH1  0   0.398  -10.3918   0.4762   1.0684
 KNM  H16  H  HCH1  0   0.282  -11.8520   1.1693  -1.3937
 KNM  H17  H  HCH2  0   0.240  -11.8775  -1.4875   0.1160
 KNM  H18  H  HCH2  0   0.230  -12.9543  -1.0930  -1.2079
 KNM  H19  H  HCH1  0   0.238   -9.9219  -1.2255  -1.4433
 KNM  H20  H  HCH3  0   0.214  -12.0585  -3.2441  -2.2833
 KNM  H21  H  HCH3  0   0.227  -10.3357  -3.3770  -2.6285
 KNM  H22  H  HCH3  0   0.225  -10.9065  -3.4519  -0.9630
 KNM  H23  H  HCH3  0   0.212  -12.0904  -0.9457  -3.5816
 KNM  H24  H  HCH3  0   0.233  -10.8759   0.2699  -3.1670
 KNM  H25  H  HCH3  0   0.228  -10.3852  -1.2430  -3.9083
 KNM  H26  H  HNH1  0   0.400  -14.0895   1.2995  -1.1740
 KNM  H27  H  HCH1  0   0.257  -15.0570   1.8536   1.5468
 KNM  H28  H  HCH2  0   0.291  -14.8727  -1.1784   0.4861
 KNM  H29  H  HCH2  0   0.300  -15.3502  -0.6316   2.1046
 KNM  H30  H  HCH2  0   0.235  -15.1477   3.6898  -0.0669
 KNM  H31  H  HCH2  0   0.229  -16.0628   2.7107  -1.2007
 KNM  H32  H  HCH1  0   0.226  -17.9880   2.6575   0.3292
 KNM  H33  H  HCH3  0   0.233  -18.0086   4.0573   2.3900
 KNM  H34  H  HCH3  0   0.228  -16.8157   2.7770   2.5337
 KNM  H35  H  HCH3  0   0.218  -16.2965   4.4203   2.1696
 KNM  H36  H  HCH3  0   0.215  -16.9113   5.4713  -0.1413
 KNM  H37  H  HCH3  0   0.226  -17.7878   4.4952  -1.3193
 KNM  H38  H  HCH3  0   0.228  -18.5992   5.0483   0.1443
 KNM  H39  H  HCH2  0   0.261  -17.1947   0.7472   1.0397
 KNM  H40  H  HCH2  0   0.253  -16.6113   0.2735  -0.5504
 KNM  H41  H  HCH3  0   0.295  -15.7196  -3.1906   2.8774
 KNM  H42  H  HCH3  0   0.311  -16.7571  -4.2967   1.9399
 KNM  H43  H  HCH3  0   0.292  -15.2126  -3.7337   1.2520
 KNM  C23  C  CH2   0  -0.420   -4.4160  -0.3823  -0.6505
 KNM  C24  C  CH2   0  -0.417   -3.1120  -0.5220  -1.4242
 KNM  C25  C  CH2   0  -0.418   -2.0942  -1.3874  -0.6930
 KNM  C26  C  CH2   0  -0.472   -0.7970  -1.5719  -1.4693
 KNM  C27  C  CH2   0  -0.236    0.1959  -2.4298  -0.7028
 KNM  N4   N  NH1   0  -0.644    1.4359  -2.5737  -1.4371
 KNM  C28  C  C     0   0.556    2.4084  -3.4189  -1.0662
 KNM  O6   O  O     0  -0.512    2.2979  -4.1548  -0.0921
 KNM  C29  C  CH2   0  -0.570    3.6489  -3.4202  -1.9333
 KNM  C30  C  CH2   0  -0.416    4.9306  -3.3710  -1.1079
 KNM  C61  C  CH2   0  -0.424    6.1809  -3.4367  -1.9752
 KNM  C62  C  CH2   0  -0.427    7.4623  -3.3445  -1.1572
 KNM  C31  C  CH2   0  -0.280    8.7084  -3.4564  -2.0281
 KNM  N5   N  NH1   0  -0.632    9.9410  -3.3558  -1.2785
 KNM  C32  C  C     0   0.548   10.5279  -2.1890  -0.9691
 KNM  C33  C  CH2   0  -0.567   11.7650  -2.2848  -0.1020
 KNM  O7   O  O     0  -0.511   10.1014  -1.1085  -1.3597
 KNM  C34  C  CH2   0  -0.418   12.9491  -1.5330  -0.7031
 KNM  C35  C  CH2   0  -0.424   14.1437  -1.4835   0.2404
 KNM  C36  C  CH2   0  -0.438   15.3404  -0.7708  -0.3761
 KNM  C37  C  CH2   0  -0.265   16.5061  -0.6550   0.5970
 KNM  N6   N  NH1   0  -0.624   17.6294   0.0426   0.0136
 KNM  C38  C  C     0   0.528   18.8779  -0.4466  -0.0935
 KNM  C39  C  CH2   0  -0.539   19.8720   0.4876  -0.7476
 KNM  O8   O  O     0  -0.505   19.1965  -1.5603   0.3080
 KNM  C40  C  CR6   0  -0.100   20.7278   1.3211   0.2242
 KNM  C42  C  CH2   0  -0.396   21.6348   2.2241  -0.6258
 KNM  C43  C  C     0  -0.411   19.8605   2.2126   1.1234
 KNM  C44  C  C     0  -0.397   21.6155   0.4416   1.1153
 KNM  C47  C  CR16  0  -0.246   20.7422   3.0893   2.0170
 KNM  C48  C  C     0  -0.418   21.6179   2.1935   2.8962
 KNM  C51  C  CH2   0  -0.417   23.3951   2.2027   1.1407
 KNM  C49  C  CR16  0  -0.249   22.5021   1.3140   2.0089
 KNM  C50  C  CH2   0  -0.417   21.6338   3.9777   1.1469
 KNM  C52  C  CH1   0  -0.250   22.5201   3.0987   0.2620
 KNM  H44  H  HCH1  0   0.223   23.1536   3.7298  -0.3686
 KNM  H3   H  HCH2  0   0.227   -4.2087   0.0216   0.3455
 KNM  H45  H  HCH2  0   0.228   -4.8562  -1.3712  -0.4993
 KNM  H46  H  HCH2  0   0.216   -3.3200  -0.9534  -2.4091
 KNM  H47  H  HCH2  0   0.216   -2.6825   0.4684  -1.6090
 KNM  H48  H  HCH2  0   0.218   -1.8740  -0.9394   0.2817
 KNM  H49  H  HCH2  0   0.217   -2.5353  -2.3679  -0.4843
 KNM  H50  H  HCH2  0   0.230   -1.0096  -2.0347  -2.4380
 KNM  H51  H  HCH2  0   0.228   -0.3528  -0.5929  -1.6790
 KNM  H52  H  HCH2  0   0.227    0.3886  -1.9829   0.2782
 KNM  H53  H  HCH2  0   0.231   -0.2346  -3.4169  -0.5189
 KNM  H54  H  HNH1  0   0.398    1.5991  -1.9519  -2.2123
 KNM  H55  H  HCH2  0   0.261    3.6342  -4.3383  -2.5303
 KNM  H56  H  HCH2  0   0.245    3.6309  -2.5906  -2.6438
 KNM  H57  H  HCH2  0   0.225    4.9474  -2.4508  -0.5151
 KNM  H58  H  HCH2  0   0.226    4.9390  -4.1992  -0.3957
 KNM  H59  H  HCH2  0   0.216    6.1755  -4.3704  -2.5488
 KNM  H60  H  HCH2  0   0.217    6.1605  -2.6263  -2.7119
 KNM  H61  H  HCH2  0   0.224    7.4850  -2.3940  -0.6161
 KNM  H62  H  HCH2  0   0.220    7.4772  -4.1363  -0.4017
 KNM  H63  H  HCH2  0   0.244    8.7144  -4.4162  -2.5474
 KNM  H64  H  HCH2  0   0.236    8.6983  -2.6819  -2.7966
 KNM  H65  H  HNH1  0   0.398   10.3250  -4.2038  -0.8966
 KNM  H66  H  HCH2  0   0.258   11.5144  -1.8478   0.8699
 KNM  H67  H  HCH2  0   0.245   12.0404  -3.3250   0.0861
 KNM  H68  H  HCH2  0   0.226   13.2431  -2.0105  -1.6430
 KNM  H69  H  HCH2  0   0.227   12.6426  -0.5147  -0.9527
 KNM  H70  H  HCH2  0   0.218   13.8509  -0.9767   1.1663
 KNM  H71  H  HCH2  0   0.219   14.4336  -2.4998   0.5261
 KNM  H72  H  HCH2  0   0.226   15.6685  -1.3059  -1.2721
 KNM  H73  H  HCH2  0   0.221   15.0380   0.2299  -0.7020
 KNM  H74  H  HCH2  0   0.234   16.1817  -0.1323   1.5022
 KNM  H75  H  HCH2  0   0.242   16.8439  -1.6435   0.9047
 KNM  H76  H  HNH1  0   0.393   17.4553   0.9713  -0.3354
 KNM  H77  H  HCH2  0   0.254   20.5406  -0.1179  -1.3652
 KNM  H78  H  HCH2  0   0.245   19.3522   1.1771  -1.4200
 KNM  H79  H  HCH2  0   0.222   22.2550   1.6044  -1.2835
 KNM  H80  H  HCH2  0   0.221   21.0184   2.8539  -1.2775
 KNM  H81  H  H     0   0.219   19.2085   2.8423   0.5063
 KNM  H82  H  H     0   0.227   19.2042   1.5984   1.7484
 KNM  H83  H  H     0   0.227   20.9984  -0.2138   1.7358
 KNM  H84  H  H     0   0.217   22.2352  -0.2103   0.4896
 KNM  H85  H  HCR6  0   0.223   20.1038   3.7143   2.6486
 KNM  H86  H  H     0   0.221   22.2378   2.8054   3.5596
 KNM  H87  H  H     0   0.220   20.9899   1.5685   3.5396
 KNM  H88  H  HCH2  0   0.221   24.0485   2.8135   1.7722
 KNM  H89  H  HCH2  0   0.220   24.0486   1.5852   0.5159
 KNM  H90  H  HCR6  0   0.222   23.1245   0.6684   2.6360
 KNM  H91  H  HCH2  0   0.220   21.0184   4.6376   0.5267
 KNM  H92  H  HCH2  0   0.221   22.2518   4.6246   1.7780
 KNM  C16  C  CH2   0  -0.617  -15.7005  -0.7935   1.0838

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
 KNM  C18  C20  single  1.526  0.020  1.526
 KNM  C18  C19  single  1.525  0.020  1.525
 KNM  C18  C17  single  1.530  0.020  1.530
 KNM  O5   S1   double  1.464  0.020  1.464
 KNM  C21  C15  single  1.532  0.020  1.532
 KNM  C21  C16  single  1.521  0.020  1.521
 KNM  C15  C17  single  1.529  0.020  1.529
 KNM  C15  N3   single  1.451  0.020  1.451
 KNM  C16  S1   single  1.791  0.020  1.791
 KNM  S1   C22  single  1.778  0.020  1.778
 KNM  S1   O4   double  1.464  0.020  1.464
 KNM  N3   C14  single  1.342  0.020  1.342
 KNM  O2   C14  double  1.221  0.020  1.221
 KNM  C14  C9   single  1.528  0.020  1.528
 KNM  C9   C10  single  1.535  0.020  1.535
 KNM  C9   N2   single  1.438  0.020  1.438
 KNM  C13  C11  single  1.526  0.020  1.526
 KNM  C10  C11  single  1.529  0.020  1.529
 KNM  N2   C8   single  1.341  0.020  1.341
 KNM  C11  C12  single  1.526  0.020  1.526
 KNM  C8   O3   double  1.221  0.020  1.221
 KNM  C8   C3   single  1.529  0.020  1.529
 KNM  C7   C5   single  1.526  0.020  1.526
 KNM  C4   C3   single  1.531  0.020  1.531
 KNM  C4   C5   single  1.530  0.020  1.530
 KNM  C3   N1   single  1.442  0.020  1.442
 KNM  C5   C6   single  1.525  0.020  1.525
 KNM  N1   C1   single  1.343  0.020  1.343
 KNM  C2   C1   single  1.510  0.020  1.510
 KNM  C1   O1   double  1.225  0.020  1.225
 KNM  C2   H1   single  0.970  0.020  1.090
 KNM  C2   H2   single  0.970  0.020  1.090
 KNM  N1   H4   single  0.860  0.020  1.020
 KNM  C3   H5   single  0.970  0.020  1.090
 KNM  C4   H6   single  0.970  0.020  1.090
 KNM  C4   H7   single  0.970  0.020  1.090
 KNM  C5   H8   single  0.970  0.020  1.090
 KNM  C6   H9   single  0.970  0.020  1.090
 KNM  C6   H10  single  0.970  0.020  1.090
 KNM  C6   H11  single  0.970  0.020  1.090
 KNM  C7   H12  single  0.970  0.020  1.090
 KNM  C7   H13  single  0.970  0.020  1.090
 KNM  C7   H14  single  0.970  0.020  1.090
 KNM  N2   H15  single  0.860  0.020  1.020
 KNM  C9   H16  single  0.970  0.020  1.090
 KNM  C10  H17  single  0.970  0.020  1.090
 KNM  C10  H18  single  0.970  0.020  1.090
 KNM  C11  H19  single  0.970  0.020  1.090
 KNM  C12  H20  single  0.970  0.020  1.090
 KNM  C12  H21  single  0.970  0.020  1.090
 KNM  C12  H22  single  0.970  0.020  1.090
 KNM  C13  H23  single  0.970  0.020  1.090
 KNM  C13  H24  single  0.970  0.020  1.090
 KNM  C13  H25  single  0.970  0.020  1.090
 KNM  N3   H26  single  0.860  0.020  1.020
 KNM  C15  H27  single  0.970  0.020  1.090
 KNM  C16  H28  single  0.970  0.020  1.090
 KNM  C16  H29  single  0.970  0.020  1.090
 KNM  C17  H30  single  0.970  0.020  1.090
 KNM  C17  H31  single  0.970  0.020  1.090
 KNM  C18  H32  single  0.970  0.020  1.090
 KNM  C19  H33  single  0.970  0.020  1.090
 KNM  C19  H34  single  0.970  0.020  1.090
 KNM  C19  H35  single  0.970  0.020  1.090
 KNM  C20  H36  single  0.970  0.020  1.090
 KNM  C20  H37  single  0.970  0.020  1.090
 KNM  C20  H38  single  0.970  0.020  1.090
 KNM  C21  H39  single  0.970  0.020  1.090
 KNM  C21  H40  single  0.970  0.020  1.090
 KNM  C22  H41  single  0.970  0.020  1.090
 KNM  C22  H42  single  0.970  0.020  1.090
 KNM  C22  H43  single  0.970  0.020  1.090
 KNM  C2   C23  single  1.528  0.020  1.528
 KNM  C23  C24  single  1.523  0.020  1.523
 KNM  C24  C25  single  1.523  0.020  1.523
 KNM  C25  C26  single  1.523  0.020  1.523
 KNM  C26  C27  single  1.520  0.020  1.520
 KNM  C27  N4   single  1.448  0.020  1.448
 KNM  N4   C28  single  1.341  0.020  1.341
 KNM  C28  O6   double  1.226  0.020  1.226
 KNM  C28  C29  single  1.513  0.020  1.513
 KNM  C29  C30  single  1.525  0.020  1.525
 KNM  C30  C61  single  1.523  0.020  1.523
 KNM  C61  C62  single  1.523  0.020  1.523
 KNM  C62  C31  single  1.524  0.020  1.524
 KNM  C31  N5   single  1.446  0.020  1.446
 KNM  N5   C32  single  1.342  0.020  1.342
 KNM  C32  C33  single  1.514  0.020  1.514
 KNM  C32  O7   double  1.226  0.020  1.226
 KNM  C33  C34  single  1.526  0.020  1.526
 KNM  C34  C35  single  1.523  0.020  1.523
 KNM  C35  C36  single  1.523  0.020  1.523
 KNM  C36  C37  single  1.523  0.020  1.523
 KNM  C37  N6   single  1.445  0.020  1.445
 KNM  N6   C38  single  1.345  0.020  1.345
 KNM  C38  C39  single  1.513  0.020  1.513
 KNM  C38  O8   double  1.226  0.020  1.226
 KNM  C39  C40  single  1.540  0.020  1.540
 KNM  C40  C42  single  1.537  0.020  1.537
 KNM  C40  C43  single  1.535  0.020  1.535
 KNM  C40  C44  single  1.535  0.020  1.535
 KNM  C42  C52  single  1.529  0.020  1.529
 KNM  C43  C47  single  1.531  0.020  1.531
 KNM  C47  C48  single  1.530  0.020  1.530
 KNM  C52  C51  single  1.530  0.020  1.530
 KNM  C48  C49  single  1.531  0.020  1.531
 KNM  C49  C51  single  1.530  0.020  1.530
 KNM  C44  C49  single  1.532  0.020  1.532
 KNM  C47  C50  single  1.530  0.020  1.530
 KNM  C50  C52  single  1.530  0.020  1.530
 KNM  C52  H44  single  0.970  0.020  1.090
 KNM  C23  H3   single  0.970  0.020  1.090
 KNM  C23  H45  single  0.970  0.020  1.090
 KNM  C24  H46  single  0.970  0.020  1.090
 KNM  C24  H47  single  0.970  0.020  1.090
 KNM  C25  H48  single  0.970  0.020  1.090
 KNM  C25  H49  single  0.970  0.020  1.090
 KNM  C26  H50  single  0.970  0.020  1.090
 KNM  C26  H51  single  0.970  0.020  1.090
 KNM  C27  H52  single  0.970  0.020  1.090
 KNM  C27  H53  single  0.970  0.020  1.090
 KNM  N4   H54  single  0.860  0.020  1.020
 KNM  C29  H55  single  0.970  0.020  1.090
 KNM  C29  H56  single  0.970  0.020  1.090
 KNM  C30  H57  single  0.970  0.020  1.090
 KNM  C30  H58  single  0.970  0.020  1.090
 KNM  C61  H59  single  0.970  0.020  1.090
 KNM  C61  H60  single  0.970  0.020  1.090
 KNM  C62  H61  single  0.970  0.020  1.090
 KNM  C62  H62  single  0.970  0.020  1.090
 KNM  C31  H63  single  0.970  0.020  1.090
 KNM  C31  H64  single  0.970  0.020  1.090
 KNM  N5   H65  single  0.860  0.020  1.020
 KNM  C33  H66  single  0.970  0.020  1.090
 KNM  C33  H67  single  0.970  0.020  1.090
 KNM  C34  H68  single  0.970  0.020  1.090
 KNM  C34  H69  single  0.970  0.020  1.090
 KNM  C35  H70  single  0.970  0.020  1.090
 KNM  C35  H71  single  0.970  0.020  1.090
 KNM  C36  H72  single  0.970  0.020  1.090
 KNM  C36  H73  single  0.970  0.020  1.090
 KNM  C37  H74  single  0.970  0.020  1.090
 KNM  C37  H75  single  0.970  0.020  1.090
 KNM  N6   H76  single  0.860  0.020  1.020
 KNM  C39  H77  single  0.970  0.020  1.090
 KNM  C39  H78  single  0.970  0.020  1.090
 KNM  C42  H79  single  0.970  0.020  1.090
 KNM  C42  H80  single  0.970  0.020  1.090
 KNM  C43  H81  single  0.970  0.020  1.090
 KNM  C43  H82  single  0.970  0.020  1.090
 KNM  C44  H83  single  0.970  0.020  1.090
 KNM  C44  H84  single  0.970  0.020  1.090
 KNM  C47  H85  single  0.970  0.020  1.090
 KNM  C48  H86  single  0.970  0.020  1.090
 KNM  C48  H87  single  0.970  0.020  1.090
 KNM  C51  H88  single  0.970  0.020  1.090
 KNM  C51  H89  single  0.970  0.020  1.090
 KNM  C49  H90  single  0.970  0.020  1.090
 KNM  C50  H91  single  0.970  0.020  1.090
 KNM  C50  H92  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
 KNM  N1   C1   C2   116.28  3.000
 KNM  C2   C1   O1   121.97  3.000
 KNM  N1   C1   O1   121.73  3.000
 KNM  C23  C2   H2   109.89  3.000
 KNM  C23  C2   H1   109.51  3.000
 KNM  H2   C2   H1   106.83  3.000
 KNM  C23  C2   C1   111.39  3.000
 KNM  H2   C2   C1   111.48  3.000
 KNM  H1   C2   C1   107.59  3.000
 KNM  H4   N1   C3   118.48  3.000
 KNM  H4   N1   C1   119.51  3.000
 KNM  C3   N1   C1   121.88  3.000
 KNM  H5   C3   C8   110.03  3.000
 KNM  H5   C3   C4   109.40  3.000
 KNM  C8   C3   C4   109.83  3.000
 KNM  H5   C3   N1   108.60  3.000
 KNM  C4   C3   N1   108.88  3.000
 KNM  C8   C3   N1   110.07  3.000
 KNM  H7   C4   H6   106.77  3.000
 KNM  H7   C4   C5   108.96  3.000
 KNM  H6   C4   C5   108.88  3.000
 KNM  H7   C4   C3   108.36  3.000
 KNM  H6   C4   C3   107.66  3.000
 KNM  C5   C4   C3   115.85  3.000
 KNM  H8   C5   C7   107.44  3.000
 KNM  H8   C5   C6   108.28  3.000
 KNM  C7   C5   C6   110.30  3.000
 KNM  H8   C5   C4   108.80  3.000
 KNM  C6   C5   C4   112.75  3.000
 KNM  C7   C5   C4   109.12  3.000
 KNM  H11  C6   H10  107.86  3.000
 KNM  H11  C6   H9   107.73  3.000
 KNM  H10  C6   H9   106.73  3.000
 KNM  H11  C6   C5   110.84  3.000
 KNM  H10  C6   C5   112.88  3.000
 KNM  H9   C6   C5   110.56  3.000
 KNM  H14  C7   H13  107.62  3.000
 KNM  H14  C7   H12  107.80  3.000
 KNM  H13  C7   H12  107.69  3.000
 KNM  H14  C7   C5   111.08  3.000
 KNM  H13  C7   C5   111.03  3.000
 KNM  H12  C7   C5   111.45  3.000
 KNM  O3   C8   N2   124.37  3.000
 KNM  O3   C8   C3   120.92  3.000
 KNM  N2   C8   C3   114.65  3.000
 KNM  H15  N2   C9   116.76  3.000
 KNM  H15  N2   C8   118.36  3.000
 KNM  C9   N2   C8   124.83  3.000
 KNM  H16  C9   C14  109.28  3.000
 KNM  H16  C9   C10  110.00  3.000
 KNM  C14  C9   C10  109.07  3.000
 KNM  H16  C9   N2   107.51  3.000
 KNM  C10  C9   N2   111.74  3.000
 KNM  C14  C9   N2   109.19  3.000
 KNM  H18  C10  H17  106.13  3.000
 KNM  H18  C10  C11  108.84  3.000
 KNM  H17  C10  C11  109.52  3.000
 KNM  H18  C10  C9   108.90  3.000
 KNM  H17  C10  C9   108.37  3.000
 KNM  C11  C10  C9   114.73  3.000
 KNM  H19  C11  C13  108.35  3.000
 KNM  H19  C11  C12  108.12  3.000
 KNM  C13  C11  C12  110.51  3.000
 KNM  H19  C11  C10  108.34  3.000
 KNM  C12  C11  C10  109.43  3.000
 KNM  C13  C11  C10  111.98  3.000
 KNM  H22  C12  H21  107.68  3.000
 KNM  H22  C12  H20  107.77  3.000
 KNM  H21  C12  H20  107.58  3.000
 KNM  H22  C12  C11  111.56  3.000
 KNM  H21  C12  C11  111.05  3.000
 KNM  H20  C12  C11  111.02  3.000
 KNM  H25  C13  H24  107.12  3.000
 KNM  H25  C13  H23  107.48  3.000
 KNM  H24  C13  H23  108.15  3.000
 KNM  H25  C13  C11  110.69  3.000
 KNM  H24  C13  C11  112.25  3.000
 KNM  H23  C13  C11  110.96  3.000
 KNM  N3   C14  O2   124.15  3.000
 KNM  O2   C14  C9   121.57  3.000
 KNM  N3   C14  C9   114.22  3.000
 KNM  H26  N3   C15  117.04  3.000
 KNM  H26  N3   C14  118.30  3.000
 KNM  C15  N3   C14  124.66  3.000
 KNM  H27  C15  C21  108.70  3.000
 KNM  H27  C15  C17  109.28  3.000
 KNM  C21  C15  C17  112.15  3.000
 KNM  H27  C15  N3   106.44  3.000
 KNM  C17  C15  N3   108.90  3.000
 KNM  C21  C15  N3   111.20  3.000
 KNM  H31  C17  H30  106.47  3.000
 KNM  H31  C17  C18  108.82  3.000
 KNM  H30  C17  C18  108.81  3.000
 KNM  H31  C17  C15  108.83  3.000
 KNM  H30  C17  C15  107.72  3.000
 KNM  C18  C17  C15  115.78  3.000
 KNM  H32  C18  C20  107.36  3.000
 KNM  H32  C18  C19  108.42  3.000
 KNM  C20  C18  C19  110.54  3.000
 KNM  H32  C18  C17  108.77  3.000
 KNM  C19  C18  C17  112.04  3.000
 KNM  C20  C18  C17  109.58  3.000
 KNM  H35  C19  H34  107.51  3.000
 KNM  H35  C19  H33  107.75  3.000
 KNM  H34  C19  H33  107.17  3.000
 KNM  H35  C19  C18  110.84  3.000
 KNM  H34  C19  C18  112.34  3.000
 KNM  H33  C19  C18  111.03  3.000
 KNM  H38  C20  H37  107.72  3.000
 KNM  H38  C20  H36  107.71  3.000
 KNM  H37  C20  H36  107.67  3.000
 KNM  H38  C20  C18  111.18  3.000
 KNM  H37  C20  C18  111.49  3.000
 KNM  H36  C20  C18  110.89  3.000
 KNM  H40  C21  H39  107.23  3.000
 KNM  H40  C21  C16  109.88  3.000
 KNM  H39  C21  C16  109.40  3.000
 KNM  H40  C21  C15  109.62  3.000
 KNM  H39  C21  C15  108.60  3.000
 KNM  C16  C21  C15  111.98  3.000
 KNM  C22  S1   O5   108.71  3.000
 KNM  C22  S1   O4   108.55  3.000
 KNM  O5   S1   O4   117.72  3.000
 KNM  O4   S1   C16  108.45  3.000
 KNM  C22  S1   C16  103.86  3.000
 KNM  O5   S1   C16  108.66  3.000
 KNM  H43  C22  H42  109.90  3.000
 KNM  H43  C22  H41  110.50  3.000
 KNM  H42  C22  H41  110.01  3.000
 KNM  H43  C22  S1   109.64  3.000
 KNM  H42  C22  S1   107.27  3.000
 KNM  H41  C22  S1   109.47  3.000
 KNM  H45  C23  H3   106.52  3.000
 KNM  H45  C23  C24  109.40  3.000
 KNM  H3   C23  C24  109.52  3.000
 KNM  H45  C23  C2   109.41  3.000
 KNM  H3   C23  C2   109.28  3.000
 KNM  C24  C23  C2   112.53  3.000
 KNM  H47  C24  H46  106.19  3.000
 KNM  H47  C24  C25  109.44  3.000
 KNM  H46  C24  C25  109.57  3.000
 KNM  H47  C24  C23  109.79  3.000
 KNM  H46  C24  C23  109.30  3.000
 KNM  C25  C24  C23  112.37  3.000
 KNM  H49  C25  H48  106.12  3.000
 KNM  H49  C25  C26  109.37  3.000
 KNM  H48  C25  C26  109.39  3.000
 KNM  H49  C25  C24  109.33  3.000
 KNM  H48  C25  C24  109.22  3.000
 KNM  C26  C25  C24  113.16  3.000
 KNM  H51  C26  H50  106.70  3.000
 KNM  H51  C26  C27  109.64  3.000
 KNM  H50  C26  C27  109.55  3.000
 KNM  H51  C26  C25  109.56  3.000
 KNM  H50  C26  C25  109.69  3.000
 KNM  C27  C26  C25  111.58  3.000
 KNM  H53  C27  H52  106.69  3.000
 KNM  H53  C27  N4   109.45  3.000
 KNM  H52  C27  N4   110.13  3.000
 KNM  H53  C27  C26  109.73  3.000
 KNM  H52  C27  C26  109.65  3.000
 KNM  N4   C27  C26  111.09  3.000
 KNM  H54  N4   C28  118.99  3.000
 KNM  H54  N4   C27  117.88  3.000
 KNM  C28  N4   C27  122.92  3.000
 KNM  C29  C28  O6   121.91  3.000
 KNM  C29  C28  N4   115.89  3.000
 KNM  O6   C28  N4   122.20  3.000
 KNM  H56  C29  H55  106.37  3.000
 KNM  H56  C29  C30  109.95  3.000
 KNM  H55  C29  C30  109.47  3.000
 KNM  H56  C29  C28  111.00  3.000
 KNM  H55  C29  C28  107.58  3.000
 KNM  C30  C29  C28  112.25  3.000
 KNM  H58  C30  H57  106.51  3.000
 KNM  H58  C30  C61  109.41  3.000
 KNM  H57  C30  C61  109.39  3.000
 KNM  H58  C30  C29  109.56  3.000
 KNM  H57  C30  C29  109.45  3.000
 KNM  C61  C30  C29  112.35  3.000
 KNM  H60  C61  H59  106.16  3.000
 KNM  H60  C61  C62  109.40  3.000
 KNM  H59  C61  C62  109.69  3.000
 KNM  H60  C61  C30  109.62  3.000
 KNM  H59  C61  C30  109.31  3.000
 KNM  C62  C61  C30  112.47  3.000
 KNM  H62  C62  H61  106.67  3.000
 KNM  H62  C62  C31  109.28  3.000
 KNM  H61  C62  C31  109.23  3.000
 KNM  H62  C62  C61  109.78  3.000
 KNM  H61  C62  C61  109.62  3.000
 KNM  C31  C62  C61  112.11  3.000
 KNM  H64  C31  H63  106.81  3.000
 KNM  H64  C31  N5   108.88  3.000
 KNM  H63  C31  N5   107.64  3.000
 KNM  H64  C31  C62  110.04  3.000
 KNM  H63  C31  C62  109.93  3.000
 KNM  N5   C31  C62  113.30  3.000
 KNM  H65  N5   C32  118.57  3.000
 KNM  H65  N5   C31  117.61  3.000
 KNM  C32  N5   C31  123.54  3.000
 KNM  O7   C32  C33  121.52  3.000
 KNM  O7   C32  N5   122.74  3.000
 KNM  C33  C32  N5   115.74  3.000
 KNM  H67  C33  H66  106.56  3.000
 KNM  H67  C33  C34  109.96  3.000
 KNM  H66  C33  C34  109.31  3.000
 KNM  H67  C33  C32  111.41  3.000
 KNM  H66  C33  C32  107.23  3.000
 KNM  C34  C33  C32  112.17  3.000
 KNM  H69  C34  H68  106.61  3.000
 KNM  H69  C34  C35  109.35  3.000
 KNM  H68  C34  C35  109.60  3.000
 KNM  H69  C34  C33  109.37  3.000
 KNM  H68  C34  C33  109.38  3.000
 KNM  C35  C34  C33  112.37  3.000
 KNM  H71  C35  H70  106.24  3.000
 KNM  H71  C35  C36  109.39  3.000
 KNM  H70  C35  C36  109.61  3.000
 KNM  H71  C35  C34  109.83  3.000
 KNM  H70  C35  C34  109.21  3.000
 KNM  C36  C35  C34  112.38  3.000
 KNM  H73  C36  H72  106.62  3.000
 KNM  H73  C36  C37  109.39  3.000
 KNM  H72  C36  C37  109.33  3.000
 KNM  H73  C36  C35  109.33  3.000
 KNM  H72  C36  C35  109.77  3.000
 KNM  C37  C36  C35  112.23  3.000
 KNM  H75  C37  H74  106.97  3.000
 KNM  H75  C37  N6   108.12  3.000
 KNM  H74  C37  N6   109.50  3.000
 KNM  H75  C37  C36  110.42  3.000
 KNM  H74  C37  C36  109.75  3.000
 KNM  N6   C37  C36  111.94  3.000
 KNM  H76  N6   C38  117.91  3.000
 KNM  H76  N6   C37  116.78  3.000
 KNM  C38  N6   C37  125.31  3.000
 KNM  O8   C38  C39  122.13  3.000
 KNM  O8   C38  N6   123.05  3.000
 KNM  C39  C38  N6   114.82  3.000
 KNM  H78  C39  H77  106.99  3.000
 KNM  H78  C39  C40  108.10  3.000
 KNM  H77  C39  C40  108.45  3.000
 KNM  H78  C39  C38  110.03  3.000
 KNM  H77  C39  C38  107.70  3.000
 KNM  C40  C39  C38  115.25  3.000
 KNM  C44  C40  C43  108.64  3.000
 KNM  C44  C40  C42  108.45  3.000
 KNM  C43  C40  C42  108.44  3.000
 KNM  C44  C40  C39  112.19  3.000
 KNM  C43  C40  C39  111.72  3.000
 KNM  C42  C40  C39  107.28  3.000
 KNM  H80  C42  H79  106.64  3.000
 KNM  H80  C42  C52  110.01  3.000
 KNM  H79  C42  C52  110.14  3.000
 KNM  H80  C42  C40  109.55  3.000
 KNM  H79  C42  C40  109.49  3.000
 KNM  C52  C42  C40  110.91  3.000
 KNM  H82  C43  H81  106.68  3.000
 KNM  H82  C43  C47  109.47  3.000
 KNM  H81  C43  C47  110.00  3.000
 KNM  H82  C43  C40  110.32  3.000
 KNM  H81  C43  C40  109.87  3.000
 KNM  C47  C43  C40  110.43  3.000
 KNM  H84  C44  H83  106.65  3.000
 KNM  H84  C44  C49  110.16  3.000
 KNM  H83  C44  C49  109.70  3.000
 KNM  H84  C44  C40  109.67  3.000
 KNM  H83  C44  C40  110.28  3.000
 KNM  C49  C44  C40  110.32  3.000
 KNM  H85  C47  C50  109.67  3.000
 KNM  H85  C47  C48  109.66  3.000
 KNM  C50  C47  C48  109.46  3.000
 KNM  H85  C47  C43  109.14  3.000
 KNM  C50  C47  C43  109.64  3.000
 KNM  C48  C47  C43  109.24  3.000
 KNM  H87  C48  H86  106.72  3.000
 KNM  H87  C48  C49  110.12  3.000
 KNM  H86  C48  C49  110.20  3.000
 KNM  H87  C48  C47  110.10  3.000
 KNM  H86  C48  C47  110.18  3.000
 KNM  C49  C48  C47  109.50  3.000
 KNM  H89  C51  H88  106.71  3.000
 KNM  H89  C51  C52  110.12  3.000
 KNM  H88  C51  C52  110.24  3.000
 KNM  H89  C51  C49  110.16  3.000
 KNM  H88  C51  C49  110.18  3.000
 KNM  C52  C51  C49  109.41  3.000
 KNM  H90  C49  C51  109.63  3.000
 KNM  H90  C49  C48  109.60  3.000
 KNM  C51  C49  C48  109.41  3.000
 KNM  H90  C49  C44  109.12  3.000
 KNM  C51  C49  C44  109.73  3.000
 KNM  C48  C49  C44  109.33  3.000
 KNM  H92  C50  H91  106.71  3.000
 KNM  H92  C50  C52  110.23  3.000
 KNM  H91  C50  C52  110.13  3.000
 KNM  H92  C50  C47  110.14  3.000
 KNM  H91  C50  C47  110.16  3.000
 KNM  C52  C50  C47  109.44  3.000
 KNM  H44  C52  C50  109.71  3.000
 KNM  H44  C52  C51  109.74  3.000
 KNM  C50  C52  C51  109.60  3.000
 KNM  H44  C52  C42  109.31  3.000
 KNM  C50  C52  C42  109.22  3.000
 KNM  C51  C52  C42  109.25  3.000
 KNM  H29  C16  H28  108.73  3.000
 KNM  H29  C16  S1   106.91  3.000
 KNM  H28  C16  S1   106.63  3.000
 KNM  H29  C16  C21  112.04  3.000
 KNM  H28  C16  C21  111.96  3.000
 KNM  S1   C16  C21  110.29  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
 KNM  CONST_01  C3   N1   C1   O1      0.00   0.0  0
 KNM  CONST_02  C3   N1   C1   C2    180.00   0.0  0
 KNM  CONST_03  C9   N2   C8   C3    180.00   0.0  0
 KNM  CONST_04  C15  N3   C14  C9    180.00   0.0  0
 KNM  CONST_05  O3   C8   N2   C9      0.00   0.0  0
 KNM  CONST_06  C15  N3   C14  O2      0.00   0.0  0
 KNM  CONST_07  O6   C28  N4   C27     0.00   0.0  0
 KNM  CONST_08  C29  C28  N4   C27   180.00   0.0  0
 KNM  CONST_09  C33  C32  N5   C31   180.00   0.0  0
 KNM  CONST_10  O7   C32  N5   C31     0.00   0.0  0
 KNM  CONST_11  C39  C38  N6   C37   180.00   0.0  0
 KNM  CONST_12  O8   C38  N6   C37     0.00   0.0  0
 KNM  CONST_13  H4   N1   C1   O1    180.00   0.0  0
 KNM  CONST_14  H15  N2   C8   C3      0.00   0.0  0
 KNM  CONST_15  H26  N3   C14  C9      0.00   0.0  0
 KNM  CONST_16  H54  N4   C28  O6    180.00   0.0  0
 KNM  CONST_17  H65  N5   C32  C33     0.00   0.0  0
 KNM  CONST_18  H76  N6   C38  C39     0.00   0.0  0
 KNM  Var_01    C40  C39  C38  N6     96.27  30.0  3
 KNM  Var_02    C23  C2   C1   O1    -60.29  30.0  2
 KNM  Var_03    C24  C23  C2   C1    175.02  30.0  3
 KNM  Var_04    C25  C24  C23  C2    178.28  30.0  3
 KNM  Var_05    C7   C5   C4   C3   -177.15  30.0  3
 KNM  Var_06    C13  C11  C10  C9    -64.40  30.0  3
 KNM  Var_07    S1   C16  C21  C15   175.17  30.0  3
 KNM  Var_08    C20  C18  C17  C15   179.19  30.0  3
 KNM  Var_09    O5   S1   C16  C21    64.52  30.0  3
 KNM  Var_10    C26  C25  C24  C23   178.36  30.0  3
 KNM  Var_11    C27  C26  C25  C24   179.51  30.0  3
 KNM  Var_12    N4   C27  C26  C25  -178.72  30.0  3
 KNM  Var_13    C28  N4   C27  C26  -171.09  30.0  3
 KNM  Var_14    C30  C29  C28  N4    133.53  30.0  3
 KNM  Var_15    C61  C30  C29  C28   177.38  30.0  3
 KNM  Var_16    C62  C61  C30  C29   178.24  30.0  3
 KNM  Var_17    C31  C62  C61  C30   178.15  30.0  3
 KNM  Var_18    N5   C31  C62  C61   179.30  30.0  3
 KNM  Var_19    C32  N5   C31  C62   -85.75  30.0  3
 KNM  Var_20    C34  C33  C32  N5    127.94  30.0  3
 KNM  Var_21    C35  C34  C33  C32   173.09  30.0  3
 KNM  Var_22    C36  C35  C34  C33   178.22  30.0  3
 KNM  Var_23    C37  C36  C35  C34   176.82  30.0  3
 KNM  Var_24    N6   C37  C36  C35  -178.99  30.0  3
 KNM  Var_25    C38  N6   C37  C36  -123.33  30.0  3
 KNM  Var_26    H12  C7   C5   C4     55.49  30.0  3
 KNM  Var_27    H9   C6   C5   C4    175.50  30.0  3
 KNM  Var_28    H23  C13  C11  C10   -57.04  30.0  3
 KNM  Var_29    H20  C12  C11  C10    61.15  30.0  3
 KNM  Var_30    H41  C22  S1   C16    61.31  30.0  3
 KNM  Var_31    H36  C20  C18  C17   -61.91  30.0  3
 KNM  Var_32    H33  C19  C18  C17   179.09  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
 KNM  chir_01  C3   C8   C4   N1   positiv
 KNM  chir_02  C9   N2   C10  C14  negativ
 KNM  chir_03  C15  N3   C21  C17  positiv
 KNM  chir_04  C40  C42  C43  C44  positiv
 KNM  chir_05  C47  C43  C48  C50  negativ
 KNM  chir_06  C49  C48  C51  C44  positiv
 KNM  chir_07  C52  C50  C51  C42  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
 KNM  plan-1  O1   0.020
 KNM  plan-1  C1   0.020
 KNM  plan-1  C2   0.020
 KNM  plan-1  N1   0.020
 KNM  plan-1  C3   0.020
 KNM  plan-1  H4   0.020
 KNM  plan-2  C3   0.020
 KNM  plan-2  C8   0.020
 KNM  plan-2  N2   0.020
 KNM  plan-2  C9   0.020
 KNM  plan-2  O3   0.020
 KNM  plan-2  H15  0.020
 KNM  plan-3  C9   0.020
 KNM  plan-3  C14  0.020
 KNM  plan-3  O2   0.020
 KNM  plan-3  N3   0.020
 KNM  plan-3  C15  0.020
 KNM  plan-3  H26  0.020
 KNM  plan-4  C27  0.020
 KNM  plan-4  N4   0.020
 KNM  plan-4  C28  0.020
 KNM  plan-4  O6   0.020
 KNM  plan-4  C29  0.020
 KNM  plan-4  H54  0.020
 KNM  plan-5  C31  0.020
 KNM  plan-5  N5   0.020
 KNM  plan-5  C32  0.020
 KNM  plan-5  C33  0.020
 KNM  plan-5  O7   0.020
 KNM  plan-5  H65  0.020
 KNM  plan-6  C37  0.020
 KNM  plan-6  N6   0.020
 KNM  plan-6  C38  0.020
 KNM  plan-6  C39  0.020
 KNM  plan-6  O8   0.020
 KNM  plan-6  H76  0.020

