88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.021532696893
  N      -3.223872     -4.175988      2.666464
  C      -2.860986     -5.042929      1.559165
  C      -2.287535     -6.312079      2.176524
  N      -3.195349     -6.716869      3.277056
  C      -4.328271     -7.466777      2.688066
  C      -5.562097     -7.174438      3.526826
  N      -5.503653     -5.772451      3.861430
  Mo     -3.845537     -4.909292      4.354532
  N      -2.131010     -5.391764      5.053970
  C      -1.540286     -6.715874      5.051029
  C      -2.462304     -7.600051      4.210111
  H      -1.464403     -7.114168      6.070807
  H      -0.522479     -6.685475      4.641132
  H      -3.191099     -8.100209      4.855363
  H      -1.896879     -8.356357      3.655105
  H      -6.462974     -7.423680      2.960131
  H      -5.577514     -7.776407      4.451098
  H      -4.507655     -7.108096      1.671301
  H      -4.112350     -8.537899      2.647246
  H      -2.106820     -4.582588      0.917307
  H      -3.749263     -5.261808      0.948170
  H      -1.297762     -6.089599      2.583759
  H      -2.190408     -7.117668      1.442184
  C      -3.011501     -2.759887      2.426226
  C      -4.050676     -2.188932      1.412157
  C      -3.851318     -0.729078      1.174737
  S      -3.542790     -0.124701     -0.327812
  C      -3.915871      0.203453      2.286605
  O      -4.042813     -0.111310      3.458146
  C      -1.589634     -2.416507      2.013379
  C      -1.143219     -2.420004      0.694671
  C       0.162161     -2.066756      0.390223
  C       1.046950     -1.692551      1.386508
  C       0.587355     -1.681555      2.689787
  F       1.421878     -1.301431      3.687308
  C      -0.705747     -2.040883      3.018302
  C      -6.777278     -5.142187      4.226050
  C      -7.014034     -3.882733      3.355520
  C      -6.688624     -2.606330      4.082171
  S      -7.760463     -1.309384      3.993249
  C      -5.510549     -2.491344      4.796899
  O      -4.644210     -3.440221      4.793692
  C      -7.976107     -6.069063      4.167901
  C      -8.444236     -6.643894      5.343154
  C      -9.549572     -7.478934      5.333971
  C     -10.208632     -7.757389      4.149379
  C      -9.730101     -7.181893      2.986695
  F     -10.354164     -7.442775      1.814170
  C      -8.628575     -6.347420      2.969708
  C      -1.620260     -4.500865      6.061928
  C      -2.298583     -4.840981      7.438076
  C      -3.764358     -4.892789      7.224851
  S      -4.462894     -6.286352      6.543055
  C      -4.632638     -3.818938      7.574195
  O      -5.809148     -3.735289      7.223540
  C      -0.102004     -4.494978      6.117335
  C       0.593259     -4.416376      4.912565
  C       1.975396     -4.396183      4.886846
  C       2.698482     -4.444046      6.066934
  C       1.995834     -4.514878      7.253274
  F       2.676210     -4.558091      8.423155
  C       0.612587     -4.547576      7.304445
  H      -3.186647     -2.245920      3.378206
  H      -5.040560     -2.323849      1.856916
  H      -4.003672     -2.722935      0.464398
  H      -3.823869      1.261268      1.993998
  H      -1.808982     -2.662766     -0.117405
  H       0.489229     -2.071310     -0.637385
  H       2.061684     -1.401459      1.167900
  H      -1.022157     -2.003275      4.049075
  H      -6.704724     -4.815121      5.277734
  H      -6.404728     -3.961716      2.445165
  H      -8.060114     -3.831342      3.053527
  H      -5.282287     -1.574158      5.333363
  H      -7.946140     -6.429871      6.276639
  H      -9.904058     -7.911258      6.256280
  H     -11.074541     -8.398824      4.117275
  H      -8.305612     -5.929437      2.029205
  H      -1.949626     -3.473932      5.801382
  H      -1.921516     -5.805025      7.787084
  H      -2.045763     -4.059427      8.154129
  H      -4.179505     -3.023955      8.197166
  H       0.038290     -4.355697      3.987584
  H       2.497013     -4.335594      3.945005
  H       3.776092     -4.422312      6.077446
  H       0.139770     -4.606808      8.270209
  N      -2.471966     -3.290190      4.523970
  N      -1.556251     -2.210788      4.636929
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.142928935304
  N      -3.230733     -4.142231      2.663241
  C      -2.862777     -5.017820      1.563660
  C      -2.279261     -6.279829      2.182873
  N      -3.185738     -6.691051      3.283609
  C      -4.315371     -7.445564      2.689301
  C      -5.554633     -7.162724      3.522495
  N      -5.511495     -5.757851      3.862189
  Mo     -3.851327     -4.881870      4.370837
  N      -2.122795     -5.383437      5.094480
  C      -1.539133     -6.710325      5.078005
  C      -2.453211     -7.577906      4.219643
  H      -1.475619     -7.124284      6.093957
  H      -0.515795     -6.677927      4.678480
  H      -3.187510     -8.081162      4.856800
  H      -1.884900     -8.331304      3.660460
  H      -6.450994     -7.417465      2.949365
  H      -5.570361     -7.769142      4.445639
  H      -4.492867     -7.084694      1.671965
  H      -4.091631     -8.516605      2.646610
  H      -2.112150     -4.554446      0.917761
  H      -3.750676     -5.249489      0.953398
  H      -1.289416     -6.052457      2.589723
  H      -2.178983     -7.086861      1.447893
  C      -3.024081     -2.728978      2.386914
  C      -4.065631     -2.180452      1.359972
  C      -3.869607     -0.724662      1.083448
  S      -3.565965     -0.152795     -0.435346
  C      -3.932863      0.237076      2.176824
  O      -4.055705     -0.053484      3.359172
  C      -1.602602     -2.396194      1.965330
  C      -1.162345     -2.425671      0.642116
  C       0.144165     -2.078824      0.321938
  C       1.037746     -1.685912      1.307781
  C       0.586487     -1.650539      2.615464
  F       1.431176     -1.259199      3.601310
  C      -0.707913     -2.003056      2.956110
  C      -6.798055     -5.133657      4.223234
  C      -7.044961     -3.870415      3.355727
  C      -6.738961     -2.585650      4.081700
  S      -7.822338     -1.298990      3.986252
  C      -5.561693     -2.455622      4.804092
  O      -4.679876     -3.399721      4.808895
  C      -7.988883     -6.071724      4.156228
  C      -8.457142     -6.656356      5.330021
  C      -9.557477     -7.503700      5.312709
  C     -10.210658     -7.784511      4.121308
  C      -9.731426     -7.198723      2.961076
  F     -10.349714     -7.461664      1.783714
  C      -8.635892     -6.352486      2.952063
  C      -1.590148     -4.531128      6.141231
  C      -2.276988     -4.906033      7.504109
  C      -3.747381     -4.921706      7.293707
  S      -4.446957     -6.286191      6.560206
  C      -4.596450     -3.840472      7.692395
  O      -5.777505     -3.713473      7.359093
  C      -0.074487     -4.540087      6.187225
  C       0.612311     -4.410396      4.978007
  C       1.996326     -4.388935      4.940758
  C       2.731732     -4.491261      6.114114
  C       2.037523     -4.614686      7.305004
  F       2.730155     -4.710514      8.466235
  C       0.652310     -4.646210      7.367936
  H      -3.202418     -2.191811      3.323669
  H      -5.055325     -2.307447      1.811517
  H      -4.020370     -2.737408      0.423204
  H      -3.843580      1.290804      1.858342
  H      -1.836653     -2.683156     -0.162245
  H       0.465685     -2.103500     -0.710336
  H       2.054933     -1.400534      1.077644
  H      -1.002997     -1.939353      3.990730
  H      -6.732758     -4.810238      5.276879
  H      -6.430055     -3.942357      2.446940
  H      -8.091146     -3.828838      3.048855
  H      -5.343348     -1.534551      5.340342
  H      -7.962669     -6.440055      6.268385
  H      -9.912955     -7.944175      6.234422
  H     -11.072891     -8.435616      4.082608
  H      -8.312016     -5.926385      2.011962
  H      -1.903677     -3.493037      5.930465
  H      -1.915804     -5.890093      7.817803
  H      -2.009878     -4.153973      8.250147
  H      -4.119230     -3.080156      8.344581
  H       0.048013     -4.306332      4.059789
  H       2.508886     -4.282656      3.994486
  H       3.812477     -4.470369      6.116310
  H       0.185938     -4.745539      8.337016
  N      -2.469017     -3.217852      4.556507
  N      -1.589028     -2.161142      4.647089
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.240678208803
  N      -3.238575     -4.113401      2.652341
  C      -2.866310     -5.000817      1.563243
  C      -2.273091     -6.253574      2.188031
  N      -3.177694     -6.667392      3.290847
  C      -4.304950     -7.427253      2.693845
  C      -5.548731     -7.151306      3.520502
  N      -5.520055     -5.743322      3.861423
  Mo     -3.856880     -4.853396      4.384053
  N      -2.110830     -5.370288      5.133330
  C      -1.537134     -6.701778      5.104786
  C      -2.445395     -7.555128      4.232358
  H      -1.485034     -7.128737      6.117480
  H      -0.509149     -6.670259      4.713647
  H      -3.185138     -8.059065      4.863325
  H      -1.875401     -8.307429      3.670568
  H      -6.440855     -7.412306      2.941864
  H      -5.564938     -7.759781      4.443848
  H      -4.480423     -7.066602      1.675201
  H      -4.073941     -8.498199      2.652042
  H      -2.119584     -4.537134      0.911517
  H      -3.753995     -5.246944      0.955036
  H      -1.282900     -6.020826      2.593616
  H      -2.170555     -7.064403      1.455096
  C      -3.040407     -2.704099      2.345509
  C      -4.084164     -2.172624      1.308986
  C      -3.892394     -0.720287      1.004146
  S      -3.592841     -0.167933     -0.524364
  C      -3.956692      0.261662      2.087005
  O      -4.076994     -0.015082      3.275911
  C      -1.617930     -2.381647      1.923012
  C      -1.174167     -2.425243      0.598257
  C       0.136053     -2.082724      0.276192
  C       1.030952     -1.681284      1.262067
  C       0.576884     -1.634953      2.570787
  F       1.423998     -1.242510      3.555846
  C      -0.721146     -1.983265      2.911282
  C      -6.818574     -5.123618      4.217800
  C      -7.075843     -3.858255      3.351567
  C      -6.790412     -2.563097      4.073354
  S      -7.885401     -1.287961      3.967806
  C      -5.614835     -2.414351      4.803511
  O      -4.717983     -3.351451      4.819695
  C      -8.000193     -6.073585      4.143925
  C      -8.467835     -6.666177      5.317126
  C      -9.562005     -7.526456      5.293246
  C     -10.208896     -7.812189      4.095938
  C      -9.729641     -7.217894      2.937388
  F     -10.341935     -7.485498      1.755941
  C      -8.641307     -6.359312      2.934621
  C      -1.556184     -4.551700      6.212042
  C      -2.253038     -4.953408      7.562479
  C      -3.727369     -4.934858      7.352590
  S      -4.428811     -6.274332      6.577362
  C      -4.557122     -3.845002      7.788453
  O      -5.739174     -3.678943      7.467483
  C      -0.041935     -4.578599      6.245484
  C       0.634912     -4.408864      5.031689
  C       2.020802     -4.391980      4.979951
  C       2.769659     -4.542583      6.143590
  C       2.085295     -4.707008      7.338473
  F       2.791440     -4.849454      8.488359
  C       0.698328     -4.732365      7.416194
  H      -3.223664     -2.150924      3.267556
  H      -5.073877     -2.294808      1.765821
  H      -4.040182     -2.745932      0.380077
  H      -3.870987      1.313324      1.752035
  H      -1.850982     -2.688474     -0.205725
  H       0.459954     -2.117427     -0.757912
  H       2.052143     -1.399914      1.031024
  H      -1.012324     -1.908325      3.959427
  H      -6.760239     -4.801897      5.272645
  H      -6.455422     -3.924786      2.444673
  H      -8.122002     -3.827337      3.039881
  H      -5.406662     -1.488050      5.337052
  H      -7.977240     -6.445523      6.259579
  H      -9.917883     -7.973571      6.214818
  H     -11.066488     -8.473463      4.051827
  H      -8.317056     -5.926615      1.994501
  H      -1.850189     -3.510452      6.044789
  H      -1.910741     -5.954353      7.848505
  H      -1.971371     -4.227166      8.332118
  H      -4.058363     -3.114984      8.462811
  H       0.060276     -4.266990      4.122385
  H       2.523177     -4.250108      4.029272
  H       3.853163     -4.526961      6.135530
  H       0.239508     -4.863615      8.388232
  N      -2.464186     -3.147544      4.584836
  N      -1.640935     -2.145053      4.663108
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.318634851516
  N      -3.244912     -4.089160      2.640400
  C      -2.869670     -4.987912      1.561582
  C      -2.268698     -6.231834      2.191905
  N      -3.171478     -6.646953      3.296788
  C      -4.297608     -7.410640      2.698381
  C      -5.544319     -7.140052      3.519567
  N      -5.527640     -5.729894      3.860694
  Mo     -3.861496     -4.827915      4.395517
  N      -2.099242     -5.357282      5.167129
  C      -1.535950     -6.694027      5.126155
  C      -2.439970     -7.535390      4.242398
  H      -1.493690     -7.132851      6.135496
  H      -0.504339     -6.664201      4.741490
  H      -3.184521     -8.039526      4.868105
  H      -1.869477     -8.287091      3.678071
  H      -6.433029     -7.406219      2.936581
  H      -5.560936     -7.750230      4.443048
  H      -4.471287     -7.050221      1.678697
  H      -4.060667     -8.481437      2.657478
  H      -2.126321     -4.525236      0.903973
  H      -3.757152     -5.246738      0.955629
  H      -1.278095     -5.995002      2.596347
  H      -2.164956     -7.046602      1.461526
  C      -3.054603     -2.683769      2.307835
  C      -4.101058     -2.166047      1.264980
  C      -3.913958     -0.717145      0.937208
  S      -3.619337     -0.179056     -0.598055
  C      -3.979044      0.281205      2.012110
  O      -4.096484      0.015439      3.205094
  C      -1.630121     -2.370192      1.884884
  C      -1.181778     -2.421432      0.559271
  C       0.131769     -2.081475      0.238986
  C       1.026391     -1.676343      1.227244
  C       0.567773     -1.626175      2.536213
  F       1.415983     -1.236912      3.523445
  C      -0.733232     -1.972207      2.874397
  C      -6.835501     -5.113904      4.213153
  C      -7.102549     -3.847324      3.348272
  C      -6.835942     -2.543298      4.065343
  S      -7.940710     -1.278503      3.950784
  C      -5.662511     -2.377656      4.801782
  O      -4.753132     -3.306321      4.829177
  C      -8.008148     -6.074726      4.134093
  C      -8.474031     -6.674372      5.306673
  C      -9.561626     -7.546307      5.277687
  C     -10.203152     -7.836747      4.076107
  C      -9.725120     -7.234900      2.919134
  F     -10.332546     -7.507027      1.734738
  C      -8.644252     -6.365111      2.921072
  C      -1.527725     -4.567938      6.270604
  C      -2.232329     -4.990039      7.610579
  C      -3.708591     -4.943075      7.401076
  S      -4.413514     -6.260787      6.592708
  C      -4.519871     -3.845927      7.866375
  O      -5.700840     -3.647017      7.556839
  C      -0.013787     -4.610739      6.292665
  C       0.656332     -4.408829      5.077292
  C       2.043666     -4.397294      5.015352
  C       2.801444     -4.588333      6.170142
  C       2.123486     -4.785524      7.365541
  F       2.838608     -4.967088      8.505508
  C       0.735378     -4.804390      7.453827
  H      -3.242745     -2.118034      3.216611
  H      -5.090282     -2.284739      1.727038
  H      -4.058911     -2.752387      0.342618
  H      -3.897251      1.330999      1.663901
  H      -1.859747     -2.686094     -0.246154
  H       0.459064     -2.120708     -0.796095
  H       2.050991     -1.397556      0.997672
  H      -1.025127     -1.894031      3.934342
  H      -6.782625     -4.793759      5.268900
  H      -6.477714     -3.909034      2.442929
  H      -8.148621     -3.826087      3.032619
  H      -5.463190     -1.446703      5.332517
  H      -7.986542     -6.449542      6.252104
  H      -9.916900     -7.999301      6.199078
  H     -11.055887     -8.507283      4.027764
  H      -8.320580     -5.926495      1.981069
  H      -1.805567     -3.526205      6.139625
  H      -1.906922     -6.003753      7.874859
  H      -1.937841     -4.285215      8.398159
  H      -4.002009     -3.141996      8.557143
  H       0.074781     -4.235837      4.175586
  H       2.539214     -4.227048      4.063070
  H       3.886981     -4.578453      6.154940
  H       0.280859     -4.961487      8.426544
  N      -2.457398     -3.085493      4.611758
  N      -1.696950     -2.149274      4.681883
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.372637389882
  N      -3.249156     -4.061513      2.631774
  C      -2.870438     -4.971868      1.563558
  C      -2.263240     -6.207382      2.197938
  N      -3.165265     -6.625448      3.302841
  C      -4.291391     -7.390593      2.702176
  C      -5.540235     -7.125941      3.518528
  N      -5.535327     -5.714738      3.861064
  Mo     -3.866450     -4.802284      4.409728
  N      -2.089201     -5.345272      5.203958
  C      -1.537548     -6.688131      5.145953
  C      -2.436631     -7.516778      4.249756
  H      -1.506147     -7.141714      6.150433
  H      -0.502258     -6.659534      4.768391
  H      -3.186673     -8.022242      4.868384
  H      -1.866246     -8.267162      3.681600
  H      -6.425713     -7.396062      2.931080
  H      -5.557460     -7.739495      4.440899
  H      -4.462718     -7.028630      1.682124
  H      -4.048927     -8.461096      2.660415
  H      -2.129726     -4.510584      0.900683
  H      -3.756934     -5.242492      0.958772
  H      -1.272663     -5.967987      2.603017
  H      -2.158248     -7.025357      1.469494
  C      -3.065553     -2.658854      2.270300
  C      -4.116197     -2.161427      1.220105
  C      -3.937959     -0.717856      0.863817
  S      -3.650233     -0.198015     -0.678772
  C      -4.006697      0.300539      1.927192
  O      -4.120872      0.049890      3.123630
  C      -1.636287     -2.353416      1.845513
  C      -1.187623     -2.417058      0.518049
  C       0.127520     -2.081633      0.193427
  C       1.025902     -1.670174      1.178188
  C       0.567557     -1.611439      2.488353
  F       1.421746     -1.222936      3.472901
  C      -0.734451     -1.952193      2.833123
  C      -6.851216     -5.103122      4.210471
  C      -7.128555     -3.835246      3.348819
  C      -6.881275     -2.524602      4.062671
  S      -7.994425     -1.269151      3.941623
  C      -5.710394     -2.344945      4.804952
  O      -4.789682     -3.263368      4.842611
  C      -8.014049     -6.075130      4.126044
  C      -8.476649     -6.683457      5.297071
  C      -9.556333     -7.567292      5.262688
  C     -10.192814     -7.861277      4.057607
  C      -9.717609     -7.250260      2.903080
  F     -10.320775     -7.525773      1.716181
  C      -8.645513     -6.368823      2.909917
  C      -1.504378     -4.589621      6.332362
  C      -2.216105     -5.033662      7.660874
  C      -3.692045     -4.958110      7.449391
  S      -4.403228     -6.250685      6.606954
  C      -4.482327     -3.853586      7.942614
  O      -5.659707     -3.620343      7.644547
  C       0.010100     -4.646572      6.342561
  C       0.674362     -4.407222      5.128917
  C       2.062634     -4.398090      5.058714
  C       2.827486     -4.632349      6.202969
  C       2.154860     -4.867702      7.395287
  F       2.877171     -5.091301      8.524090
  C       0.766114     -4.882720      7.492292
  H      -3.261340     -2.076456      3.162437
  H      -5.104275     -2.277111      1.688377
  H      -4.075134     -2.764422      0.307189
  H      -3.931869      1.346888      1.561895
  H      -1.869513     -2.685669     -0.285322
  H       0.453933     -2.129302     -0.843456
  H       2.052744     -1.395816      0.944628
  H      -1.025303     -1.868227      3.906287
  H      -6.803070     -4.786316      5.267394
  H      -6.499745     -3.890480      2.444772
  H      -8.174350     -3.823526      3.029063
  H      -5.518916     -1.410619      5.334666
  H      -7.991746     -6.455327      6.245013
  H      -9.909804     -8.027440      6.183284
  H     -11.039823     -8.541385      4.004824
  H      -8.323587     -5.922816      1.970757
  H      -1.767689     -3.546775      6.240830
  H      -1.908417     -6.059224      7.903640
  H      -1.908904     -4.351321      8.465990
  H      -3.944451     -3.177714      8.649100
  H       0.087307     -4.201430      4.235657
  H       2.552326     -4.194911      4.107573
  H       3.914640     -4.626292      6.182011
  H       0.314324     -5.069732      8.463129
  N      -2.450732     -3.022412      4.647623
  N      -1.741542     -2.140096      4.706500
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.409516886258
  N      -3.248952     -4.026497      2.631901
  C      -2.865905     -4.947907      1.573449
  C      -2.254888     -6.176706      2.208142
  N      -3.158424     -6.601823      3.308695
  C      -4.286419     -7.363719      2.702817
  C      -5.536654     -7.106915      3.515184
  N      -5.543735     -5.696396      3.862855
  Mo     -3.871882     -4.777003      4.429897
  N      -2.081583     -5.337282      5.247103
  C      -1.542828     -6.686937      5.163811
  C      -2.435803     -7.500841      4.252300
  H      -1.523632     -7.160525      6.160603
  H      -0.503506     -6.658115      4.794738
  H      -3.192559     -8.010117      4.860229
  H      -1.866073     -8.248128      3.677629
  H      -6.418965     -7.378540      2.922314
  H      -5.555163     -7.727749      4.433698
  H      -4.454025     -6.996022      1.683763
  H      -4.039111     -8.433789      2.656054
  H      -2.126280     -4.488036      0.907149
  H      -3.750087     -5.227967      0.967028
  H      -1.265261     -5.937502      2.617630
  H      -2.147962     -6.995896      1.479535
  C      -3.069150     -2.625117      2.236831
  C      -4.125863     -2.160844      1.176169
  C      -3.963601     -0.726227      0.779746
  S      -3.684769     -0.233993     -0.772236
  C      -4.042394      0.319803      1.824064
  O      -4.154238      0.092243      3.024062
  C      -1.632130     -2.327282      1.806542
  C      -1.194436     -2.417016      0.474608
  C       0.119007     -2.093129      0.128831
  C       1.031899     -1.668404      1.095583
  C       0.586205     -1.585865      2.409572
  F       1.457666     -1.190236      3.378561
  C      -0.713160     -1.912279      2.780259
  C      -6.866646     -5.090581      4.211043
  C      -7.154856     -3.819980      3.356756
  C      -6.927869     -2.506501      4.071857
  S      -8.047328     -1.258688      3.949267
  C      -5.759734     -2.318143      4.820677
  O      -4.828863     -3.225036      4.865712
  C      -8.018535     -6.074421      4.119542
  C      -8.475664     -6.695608      5.287125
  C      -9.545737     -7.592174      5.245562
  C     -10.177734     -7.886631      4.037176
  C      -9.707638     -7.262256      2.886953
  F     -10.307440     -7.538037      1.697579
  C      -8.646085     -6.368025      2.900392
  C      -1.489554     -4.622512      6.402125
  C      -2.208059     -5.093358      7.717291
  C      -3.681226     -4.989090      7.500030
  S      -4.402597     -6.249772      6.618663
  C      -4.447255     -3.876787      8.020804
  O      -5.618540     -3.605981      7.734571
  C       0.026167     -4.688527      6.399899
  C       0.684600     -4.401088      5.192238
  C       2.073453     -4.386658      5.115674
  C       2.844695     -4.667941      6.246621
  C       2.177201     -4.952454      7.431244
  F       2.906162     -5.222210      8.546351
  C       0.788158     -4.970682      7.535320
  H      -3.276741     -2.018244      3.107146
  H      -5.111963     -2.274079      1.652019
  H      -4.083940     -2.787758      0.278348
  H      -3.979575      1.359657      1.433879
  H      -1.888116     -2.696789     -0.317090
  H       0.433660     -2.161187     -0.912208
  H       2.058969     -1.404311      0.844796
  H      -0.994127     -1.809361      3.872150
  H      -6.822394     -4.781202      5.270063
  H      -6.522337     -3.864912      2.453710
  H      -8.200024     -3.817335      3.032050
  H      -5.574634     -1.383114      5.353703
  H      -7.992517     -6.466598      6.237448
  H      -9.895722     -8.062743      6.163994
  H     -11.017837     -8.577015      3.978574
  H      -8.327634     -5.911001      1.963590
  H      -1.741371     -3.576927      6.354454
  H      -1.918245     -6.129994      7.937826
  H      -1.889193     -4.435544      8.540681
  H      -3.887767     -3.232720      8.743263
  H       0.092492     -4.160369      4.309243
  H       2.557267     -4.141336      4.169237
  H       3.933176     -4.660363      6.221338
  H       0.338159     -5.195690      8.500825
  N      -2.445359     -2.959344      4.704702
  N      -1.749675     -2.085041      4.744233
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.435868710191
  N      -3.242385     -3.996376      2.634702
  C      -2.857991     -4.926850      1.582989
  C      -2.246726     -6.152396      2.215903
  N      -3.152709     -6.585342      3.310511
  C      -4.285222     -7.339396      2.699217
  C      -5.534912     -7.088624      3.509496
  N      -5.550669     -5.679670      3.862653
  Mo     -3.873877     -4.759160      4.447669
  N      -2.072196     -5.338011      5.280447
  C      -1.546153     -6.693232      5.171444
  C      -2.436619     -7.494090      4.248421
  H      -1.535507     -7.185084      6.160317
  H      -0.504121     -6.664489      4.808059
  H      -3.199213     -8.007083      4.846472
  H      -1.869205     -8.238626      3.666688
  H      -6.415155     -7.359390      2.912143
  H      -5.555273     -7.717879      4.422969
  H      -4.448702     -6.964012      1.682008
  H      -4.035568     -8.409209      2.645334
  H      -2.117723     -4.470411      0.914338
  H      -3.739993     -5.211080      0.973437
  H      -1.258452     -5.916335      2.631584
  H      -2.138659     -6.971725      1.486163
  C      -3.063463     -2.596194      2.216886
  C      -4.128381     -2.162715      1.150349
  C      -3.985786     -0.736872      0.718789
  S      -3.718107     -0.266791     -0.840144
  C      -4.077696      0.332515      1.746826
  O      -4.188227      0.124071      2.949025
  C      -1.623161     -2.303987      1.777498
  C      -1.203800     -2.416415      0.440240
  C       0.106042     -2.107165      0.067474
  C       1.038067     -1.675120      1.012731
  C       0.610810     -1.570204      2.331315
  F       1.503087     -1.170122      3.281521
  C      -0.683898     -1.878782      2.731462
  C      -6.878057     -5.078352      4.211823
  C      -7.175252     -3.805582      3.365046
  C      -6.965148     -2.491403      4.082573
  S      -8.087621     -1.248480      3.960852
  C      -5.798838     -2.299344      4.837703
  O      -4.860831     -3.196082      4.888129
  C      -8.021357     -6.071558      4.115423
  C      -8.471446     -6.705197      5.279878
  C      -9.533147     -7.612241      5.233023
  C     -10.163626     -7.905418      4.022846
  C      -9.700422     -7.268135      2.876367
  F     -10.299818     -7.542360      1.685816
  C      -8.648118     -6.363096      2.894661
  C      -1.482336     -4.655676      6.451629
  C      -2.206270     -5.145064      7.758490
  C      -3.676303     -5.022206      7.535833
  S      -4.409480     -6.254153      6.623831
  C      -4.420449     -3.901156      8.075296
  O      -5.586490     -3.599586      7.801360
  C       0.034364     -4.721977      6.444136
  C       0.692772     -4.396400      5.245233
  C       2.082370     -4.371155      5.171854
  C       2.853980     -4.683098      6.295789
  C       2.185882     -5.006920      7.469902
  F       2.915610     -5.307452      8.577310
  C       0.796389     -5.033937      7.571891
  H      -3.279451     -1.968192      3.073771
  H      -5.110724     -2.276817      1.635260
  H      -4.086388     -2.810166      0.266318
  H      -4.029126      1.365986      1.334717
  H      -1.913309     -2.703851     -0.335916
  H       0.403376     -2.193760     -0.978388
  H       2.063896     -1.423392      0.741773
  H      -0.948447     -1.756813      3.830196
  H      -6.835015     -4.777318      5.273024
  H      -6.540468     -3.840520      2.462356
  H      -8.219649     -3.810432      3.035671
  H      -5.617998     -1.365170      5.375859
  H      -7.987718     -6.476853      6.231158
  H      -9.878190     -8.092758      6.149347
  H     -10.997631     -8.604174      3.959917
  H      -8.334673     -5.895229      1.960388
  H      -1.731379     -3.602070      6.431930
  H      -1.927442     -6.188081      7.965975
  H      -1.880192     -4.503175      8.593188
  H      -3.840741     -3.282316      8.806364
  H       0.100504     -4.134462      4.367364
  H       2.565440     -4.092508      4.232899
  H       3.943378     -4.669303      6.273065
  H       0.343070     -5.288742      8.529673
  N      -2.434230     -2.906245      4.769344
  N      -1.742744     -2.030581      4.788688
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.455047693475
  N      -3.229999     -3.972144      2.637730
  C      -2.846767     -4.909996      1.591094
  C      -2.237646     -6.134515      2.222791
  N      -3.147271     -6.574224      3.310678
  C      -4.285130     -7.318197      2.694583
  C      -5.533125     -7.070331      3.504002
  N      -5.553774     -5.662939      3.859505
  Mo     -3.871584     -4.745889      4.460229
  N      -2.062627     -5.343527      5.304845
  C      -1.548146     -6.702130      5.173708
  C      -2.438724     -7.492316      4.243043
  H      -1.543435     -7.208418      6.155777
  H      -0.504172     -6.674395      4.814751
  H      -3.206593     -8.007672      4.832557
  H      -1.874288     -8.235378      3.655976
  H      -6.412157     -7.339644      2.903527
  H      -5.556163     -7.706425      4.413039
  H      -4.443923     -6.935670      1.679192
  H      -4.035460     -8.387962      2.633909
  H      -2.104857     -4.459033      0.920109
  H      -3.726708     -5.194786      0.977981
  H      -1.251391     -5.902451      2.645672
  H      -2.128164     -6.953791      1.492341
  C      -3.052837     -2.573805      2.205745
  C      -4.128511     -2.168758      1.137734
  C      -4.009375     -0.750622      0.677951
  S      -3.754699     -0.296744     -0.885997
  C      -4.117333      0.336157      1.692959
  O      -4.226962      0.142350      2.896450
  C      -1.615122     -2.282976      1.752320
  C      -1.217122     -2.412292      0.409731
  C       0.087733     -2.116732      0.009893
  C       1.039074     -1.682246      0.934434
  C       0.631940     -1.559098      2.257365
  F       1.543955     -1.157562      3.189437
  C      -0.657342     -1.850448      2.684473
  C      -6.882961     -5.064351      4.209790
  C      -7.186143     -3.791774      3.367389
  C      -6.988931     -2.477814      4.086903
  S      -8.111641     -1.237416      3.965128
  C      -5.824537     -2.285459      4.848623
  O      -4.882501     -3.174077      4.904014
  C      -8.020393     -6.064379      4.112394
  C      -8.462723     -6.706883      5.275286
  C      -9.517530     -7.621945      5.226820
  C     -10.148804     -7.914971      4.016848
  C      -9.693468     -7.268413      2.872219
  F     -10.294631     -7.542079      1.682163
  C      -8.648779     -6.354822      2.891914
  C      -1.480341     -4.690598      6.487172
  C      -2.208500     -5.194377      7.788046
  C      -3.674352     -5.056029      7.559570
  S      -4.421498     -6.258872      6.621413
  C      -4.398381     -3.925954      8.111583
  O      -5.559461     -3.598815      7.848399
  C       0.037060     -4.752402      6.480289
  C       0.698666     -4.391363      5.293048
  C       2.088696     -4.350957      5.229291
  C       2.857009     -4.686172      6.349289
  C       2.185342     -5.047036      7.510339
  F       2.912334     -5.371417      8.613253
  C       0.795641     -5.087106      7.604109
  H      -3.274338     -1.930538      3.053833
  H      -5.105281     -2.287638      1.632843
  H      -4.086613     -2.832837      0.265733
  H      -4.084773      1.363610      1.262986
  H      -1.942447     -2.704511     -0.350131
  H       0.366268     -2.217691     -1.040235
  H       2.062489     -1.442305      0.644360
  H      -0.903637     -1.713127      3.775517
  H      -6.839225     -4.769554      5.272523
  H      -6.549867     -3.819137      2.465106
  H      -8.229361     -3.802893      3.033051
  H      -5.647549     -1.352617      5.391966
  H      -7.976766     -6.478623      6.225809
  H      -9.856812     -8.109406      6.142034
  H     -10.977672     -8.620091      3.952483
  H      -8.341244     -5.878995      1.959337
  H      -1.729420     -3.632641      6.489561
  H      -1.937114     -6.241620      7.986163
  H      -1.877790     -4.564617      8.630535
  H      -3.801099     -3.327794      8.847122
  H       0.109127     -4.114356      4.417687
  H       2.574063     -4.041361      4.300825
  H       3.946650     -4.662451      6.333576
  H       0.336660     -5.369318      8.551823
  N      -2.420095     -2.856821      4.829212
  N      -1.735665     -1.981796      4.829020
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.270707992653
  N      -3.213385     -3.954393      2.641347
  C      -2.833006     -4.897190      1.597822
  C      -2.227442     -6.122488      2.228189
  N      -3.141977     -6.568545      3.308526
  C      -4.284978     -7.301017      2.687220
  C      -5.530734     -7.053837      3.496918
  N      -5.552956     -5.647685      3.852789
  Mo     -3.865736     -4.738298      4.467404
  N      -2.054471     -5.353095      5.320200
  C      -1.548932     -6.713482      5.171142
  C      -2.441449     -7.495356      4.235877
  H      -1.547199     -7.230734      6.147794
  H      -0.503666     -6.687242      4.815133
  H      -3.213782     -8.012115      4.818330
  H      -1.879916     -8.237891      3.644988
  H      -6.409291     -7.321374      2.894428
  H      -5.556951     -7.695416      4.402165
  H      -4.438734     -6.911561      1.673670
  H      -4.037329     -8.371039      2.619650
  H      -2.088899     -4.452299      0.924680
  H      -3.711105     -5.179830      0.980785
  H      -1.243872     -5.894271      2.659149
  H      -2.115409     -6.941011      1.496775
  C      -3.039621     -2.557355      2.201112
  C      -4.127977     -2.176685      1.134953
  C      -4.033563     -0.764542      0.654898
  S      -3.792133     -0.320679     -0.912535
  C      -4.158701      0.332892      1.660981
  O      -4.268095      0.148381      2.865066
  C      -1.607761     -2.264414      1.729421
  C      -1.233017     -2.406292      0.381190
  C       0.065991     -2.123782     -0.045220
  C       1.037157     -1.690702      0.859082
  C       0.652290     -1.552094      2.186481
  F       1.583393     -1.151468      3.100492
  C      -0.631505     -1.826391      2.639087
  C      -6.881849     -5.050199      4.205186
  C      -7.188461     -3.778890      3.365188
  C      -6.999343     -2.466470      4.087626
  S      -8.119639     -1.225790      3.966176
  C      -5.836862     -2.278026      4.855961
  O      -4.893516     -3.161748      4.914248
  C      -8.016514     -6.054188      4.110684
  C      -8.449940     -6.702412      5.273771
  C      -9.499926     -7.622843      5.227614
  C     -10.135235     -7.916087      4.019904
  C      -9.689086     -7.263423      2.875133
  F     -10.295043     -7.536792      1.687417
  C      -8.649849     -6.343792      2.892531
  C      -1.483531     -4.724550      6.511009
  C      -2.215938     -5.240118      7.807350
  C      -3.677294     -5.089948      7.572342
  S      -4.437731     -6.265073      6.611209
  C      -4.385427     -3.951388      8.130533
  O      -5.542268     -3.605623      7.874476
  C       0.035106     -4.778104      6.510629
  C       0.702133     -4.384496      5.336979
  C       2.092229     -4.325832      5.287390
  C       2.854733     -4.677772      6.406130
  C       2.177605     -5.073079      7.552567
  F       2.899418     -5.415249      8.653713
  C       0.787918     -5.129440      7.633527
  H      -3.264628     -1.904301      3.042682
  H      -5.098079     -2.302956      1.640887
  H      -4.086632     -2.853384      0.272639
  H      -4.141958      1.355648      1.218421
  H      -1.973714     -2.701056     -0.362500
  H       0.324709     -2.235961     -1.099316
  H       2.057532     -1.462414      0.550219
  H      -0.858254     -1.675971      3.716834
  H      -6.835267     -4.759844      5.268938
  H      -6.551559     -3.800650      2.463105
  H      -8.230375     -3.794307      3.026123
  H      -5.663307     -1.347420      5.405367
  H      -7.959387     -6.474222      6.222017
  H      -9.832417     -8.114716      6.143040
  H     -10.960568     -8.625525      3.957194
  H      -8.349464     -5.862484      1.960395
  H      -1.734896     -3.664745      6.529963
  H      -1.948699     -6.289902      7.998992
  H      -1.883364     -4.618927      8.655263
  H      -3.775102     -3.367478      8.867518
  H       0.117132     -4.097789      4.461738
  H       2.582006     -3.988006      4.371064
  H       3.944167     -4.641360      6.400715
  H       0.322120     -5.436827      8.570003
  N      -2.403895     -2.814252      4.887088
  N      -1.724061     -1.935741      4.869891
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.478863878772
  N      -3.197339     -3.931837      2.642520
  C      -2.817976     -4.876046      1.596346
  C      -2.218135     -6.104254      2.226817
  N      -3.139282     -6.556855      3.297954
  C      -4.285402     -7.278907      2.670642
  C      -5.529451     -7.032861      3.480404
  N      -5.553235     -5.627999      3.837411
  Mo     -3.864656     -4.726313      4.465174
  N      -2.052009     -5.354694      5.325704
  C      -1.553220     -6.718150      5.159990
  C      -2.446984     -7.492072      4.220352
  H      -1.554432     -7.245796      6.131210
  H      -0.506538     -6.693271      4.807192
  H      -3.223412     -8.010784      4.795579
  H      -1.887149     -8.233538      3.626115
  H      -6.407499     -7.298660      2.875901
  H      -5.558442     -7.679776      4.381892
  H      -4.433921     -6.883087      1.658505
  H      -4.039270     -8.349050      2.596823
  H      -2.070737     -4.434994      0.924580
  H      -3.692671     -5.153436      0.972881
  H      -1.237946     -5.880221      2.666958
  H      -2.102600     -6.921351      1.494029
  C      -3.023457     -2.537374      2.198372
  C      -4.121475     -2.181099      1.130680
  C      -4.051042     -0.777492      0.624886
  S      -3.820682     -0.353440     -0.948678
  C      -4.194593      0.334346      1.614989
  O      -4.304463      0.165856      2.820705
  C      -1.597431     -2.245878      1.709548
  C      -1.244754     -2.403304      0.357016
  C       0.048535     -2.135884     -0.094042
  C       1.037680     -1.703021      0.790582
  C       0.673979     -1.546656      2.121537
  F       1.622387     -1.146478      3.017738
  C      -0.604827     -1.803066      2.597218
  C      -6.880819     -5.032382      4.193626
  C      -7.191777     -3.764114      3.354324
  C      -7.008252     -2.452861      4.078349
  S      -8.126368     -1.211810      3.957213
  C      -5.847162     -2.268653      4.852379
  O      -4.904674     -3.148213      4.913726
  C      -8.010846     -6.043370      4.110261
  C      -8.427191     -6.689940      5.280469
  C      -9.469331     -7.619093      5.249866
  C     -10.114016     -7.923751      4.050400
  C      -9.685384     -7.272493      2.898113
  F     -10.301407     -7.557168      1.718381
  C      -8.654455     -6.343231      2.900152
  C      -1.479485     -4.756528      6.533962
  C      -2.247395     -5.304639      7.844619
  C      -3.708034     -5.133946      7.599165
  S      -4.469105     -6.270046      6.594943
  C      -4.404945     -3.993132      8.170750
  O      -5.554487     -3.625209      7.914199
  C       0.041169     -4.804678      6.540329
  C       0.712239     -4.371900      5.382939
  C       2.101759     -4.294535      5.346662
  C       2.859996     -4.668552      6.460640
  C       2.179489     -5.104599      7.590056
  F       2.897821     -5.468753      8.686492
  C       0.790350     -5.178808      7.659161
  H      -3.251889     -1.874807      3.033484
  H      -5.085967     -2.313009      1.644808
  H      -4.077583     -2.872966      0.280556
  H      -4.193901      1.349324      1.154317
  H      -1.999425     -2.701354     -0.370885
  H       0.288868     -2.261615     -1.150913
  H       2.055087     -1.487724      0.464115
  H      -0.813950     -1.640165      3.657764
  H      -6.829881     -4.744233      5.257716
  H      -6.555887     -3.782615      2.451293
  H      -8.232949     -3.783335      3.012616
  H      -5.676931     -1.339880      5.406760
  H      -7.927829     -6.453148      6.221984
  H      -9.788154     -8.109184      6.171099
  H     -10.933591     -8.640643      3.999479
  H      -8.367735     -5.863293      1.963183
  H      -1.728306     -3.694059      6.578172
  H      -1.987779     -6.362544      8.017416
  H      -1.905984     -4.697592      8.707881
  H      -3.789254     -3.431969      8.921398
  H       0.130075     -4.069395      4.511059
  H       2.594478     -3.923323      4.445029
  H       3.948821     -4.618350      6.464945
  H       0.320213     -5.515587      8.583096
  N      -2.392218     -2.770214      4.937069
  N      -1.714603     -1.887694      4.907419
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.487123937169
  N      -3.167995     -3.932283      2.631960
  C      -2.795708     -4.880017      1.587060
  C      -2.203003     -6.110788      2.219726
  N      -3.132069     -6.565976      3.283437
  C      -4.283036     -7.276781      2.651749
  C      -5.524225     -7.025611      3.464106
  N      -5.543545     -5.619096      3.812352
  Mo     -3.849940     -4.730235      4.448242
  N      -2.044379     -5.369830      5.317597
  C      -1.550141     -6.734187      5.146967
  C      -2.449074     -7.505019      4.208542
  H      -1.549941     -7.263343      6.117253
  H      -0.503405     -6.712579      4.794397
  H      -3.229596     -8.019441      4.781949
  H      -1.892579     -8.250844      3.616371
  H      -6.403881     -7.292469      2.862122
  H      -5.554934     -7.670652      4.366670
  H      -4.426797     -6.877154      1.640536
  H      -4.043124     -8.348130      2.574004
  H      -2.045402     -4.447734      0.912806
  H      -3.670524     -5.151704      0.961273
  H      -1.227092     -5.887805      2.669467
  H      -2.080794     -6.927592      1.487462
  C      -3.005385     -2.533591      2.196020
  C      -4.122289     -2.183270      1.143063
  C      -4.078204     -0.776829      0.644961
  S      -3.861317     -0.336329     -0.925863
  C      -4.241049      0.324157      1.645146
  O      -4.354018      0.142012      2.848545
  C      -1.590789     -2.229522      1.685052
  C      -1.258173     -2.379512      0.326261
  C       0.030953     -2.120214     -0.141065
  C       1.036553     -1.703729      0.733169
  C       0.691502     -1.547871      2.068762
  F       1.654068     -1.158704      2.954690
  C      -0.584243     -1.790967      2.559886
  C      -6.866933     -5.019309      4.176578
  C      -7.181052     -3.758508      3.330242
  C      -6.994699     -2.445438      4.049754
  S      -8.105368     -1.199381      3.923159
  C      -5.835328     -2.268197      4.830015
  O      -4.895112     -3.150111      4.894799
  C      -8.000514     -6.028489      4.117712
  C      -8.397556     -6.668414      5.298425
  C      -9.438832     -7.599085      5.289748
  C     -10.101648     -7.911948      4.102111
  C      -9.692664     -7.266443      2.939503
  F     -10.327027     -7.558688      1.771366
  C      -8.663737     -6.335114      2.919971
  C      -1.492110     -4.785387      6.530978
  C      -2.269691     -5.337632      7.834570
  C      -3.724538     -5.161538      7.584124
  S      -4.495660     -6.273538      6.558580
  C      -4.408819     -4.008749      8.147826
  O      -5.555745     -3.632779      7.892105
  C       0.026606     -4.825113      6.560509
  C       0.711196     -4.368555      5.420624
  C       2.099894     -4.271019      5.410411
  C       2.843447     -4.649075      6.532982
  C       2.149386     -5.111014      7.644157
  F       2.853549     -5.480992      8.747826
  C       0.760385     -5.204774      7.687505
  H      -3.229433     -1.876497      3.037954
  H      -5.076966     -2.331336      1.670749
  H      -4.082937     -2.872382      0.290842
  H      -4.254009      1.342920      1.192844
  H      -2.024010     -2.669713     -0.392747
  H       0.255639     -2.242110     -1.201752
  H       2.051875     -1.497207      0.394933
  H      -0.780113     -1.623644      3.616860
  H      -6.802745     -4.724355      5.237921
  H      -6.548253     -3.780708      2.425280
  H      -8.222353     -3.780737      2.988469
  H      -5.667216     -1.341296      5.388723
  H      -7.882414     -6.426204      6.230022
  H      -9.742564     -8.083983      6.218755
  H     -10.920722     -8.630414      4.068096
  H      -8.393119     -5.859399      1.976001
  H      -1.748488     -3.722791      6.580032
  H      -2.008913     -6.393865      8.003291
  H      -1.926650     -4.732760      8.694235
  H      -3.785030     -3.448053      8.891930
  H       0.140291     -4.066191      4.541759
  H       2.603320     -3.879661      4.523116
  H       3.931176     -4.583394      6.557547
  H       0.277465     -5.559715      8.597971
  N      -2.373125     -2.745567      4.978723
  N      -1.705595     -1.867228      4.945758
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.494302876734
  N      -3.143033     -3.929717      2.632704
  C      -2.775748     -4.875217      1.586836
  C      -2.188394     -6.108635      2.218700
  N      -3.125477     -6.568702      3.273659
  C      -4.278283     -7.268956      2.635070
  C      -5.517554     -7.014404      3.448959
  N      -5.531326     -5.607056      3.791673
  Mo     -3.835791     -4.730857      4.436778
  N      -2.042943     -5.378206      5.313404
  C      -1.549055     -6.742153      5.136818
  C      -2.450961     -7.511316      4.199223
  H      -1.544985     -7.273176      6.105872
  H      -0.502425     -6.721069      4.783962
  H      -3.234377     -8.023390      4.770253
  H      -1.895736     -8.259393      3.608443
  H      -6.398856     -7.280767      2.848402
  H      -5.550800     -7.658758      4.351510
  H      -4.416651     -6.863935      1.625485
  H      -4.044349     -8.341302      2.551610
  H      -2.023164     -4.446368      0.911037
  H      -3.650138     -5.140879      0.957945
  H      -1.217676     -5.884750      2.678734
  H      -2.057125     -6.922899      1.485230
  C      -2.994429     -2.530033      2.200664
  C      -4.130914     -2.187207      1.163000
  C      -4.106075     -0.780419      0.668080
  S      -3.903218     -0.332200     -0.902833
  C      -4.276024      0.313020      1.673857
  O      -4.386603      0.122196      2.876123
  C      -1.592890     -2.221914      1.660364
  C      -1.283637     -2.379490      0.297103
  C       0.000450     -2.134014     -0.190970
  C       1.024135     -1.725901      0.666157
  C       0.701543     -1.557267      2.005461
  F       1.680099     -1.172889      2.875296
  C      -0.570322     -1.781363      2.515709
  C      -6.851449     -5.005044      4.161064
  C      -7.164559     -3.748823      3.310236
  C      -6.974574     -2.437403      4.031869
  S      -8.075534     -1.183947      3.900437
  C      -5.817807     -2.270576      4.819057
  O      -4.880617     -3.156682      4.882815
  C      -7.985962     -6.014056      4.117998
  C      -8.368088     -6.651138      5.305157
  C      -9.406722     -7.584530      5.310807
  C     -10.081371     -7.903091      4.131339
  C      -9.687499     -7.260011      2.962463
  F     -10.333918     -7.557444      1.802347
  C      -8.661884     -6.325419      2.928871
  C      -1.508902     -4.809937      6.534574
  C      -2.287527     -5.371393      7.828066
  C      -3.734853     -5.186602      7.573894
  S      -4.519214     -6.271787      6.527799
  C      -4.408390     -4.026657      8.135820
  O      -5.554083     -3.645661      7.882629
  C       0.008744     -4.840973      6.582493
  C       0.702512     -4.355447      5.460520
  C       2.089894     -4.239537      5.471549
  C       2.822660     -4.629406      6.596785
  C       2.119918     -5.122384      7.689017
  F       2.814022     -5.506175      8.794088
  C       0.731838     -5.233368      7.711825
  H      -3.210167     -1.874859      3.045491
  H      -5.074892     -2.344359      1.706716
  H      -4.100243     -2.877546      0.311768
  H      -4.296808      1.334181      1.227649
  H      -2.061687     -2.669370     -0.408503
  H       0.207467     -2.263052     -1.254209
  H       2.036639     -1.532988      0.312049
  H      -0.751225     -1.597727      3.573947
  H      -6.779079     -4.706188      5.220537
  H      -6.531661     -3.772207      2.405624
  H      -8.204536     -3.771166      2.964454
  H      -5.651738     -1.347317      5.383996
  H      -7.842351     -6.405467      6.229797
  H      -9.699005     -8.067093      6.244501
  H     -10.898549     -8.623997      4.108438
  H      -8.403838     -5.851416      1.980633
  H      -1.772610     -3.751537      6.595020
  H      -2.024692     -6.427406      7.987180
  H      -1.942353     -4.771631      8.686872
  H      -3.778544     -3.466766      8.874976
  H       0.139620     -4.047224      4.578908
  H       2.600700     -3.823749      4.599747
  H       3.908878     -4.550318      6.637562
  H       0.241112     -5.611593      8.608385
  N      -2.359877     -2.710215      5.026194
  N      -1.695495     -1.821331      4.985997
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.500468639833
  N      -3.121101     -3.935250      2.636853
  C      -2.759237     -4.878054      1.588868
  C      -2.176252     -6.114337      2.218286
  N      -3.119915     -6.578384      3.266082
  C      -4.273246     -7.270110      2.621347
  C      -5.511183     -7.010900      3.435442
  N      -5.518275     -5.601961      3.772516
  Mo     -3.820772     -4.737814      4.425449
  N      -2.042715     -5.387908      5.305241
  C      -1.546353     -6.751319      5.126735
  C      -2.451390     -7.521996      4.193189
  H      -1.534582     -7.281464      6.095999
  H      -0.500941     -6.729503      4.770038
  H      -3.236301     -8.030716      4.764755
  H      -1.897133     -8.272972      3.604868
  H      -6.394102     -7.276866      2.836694
  H      -5.546644     -7.653044      4.339184
  H      -4.406930     -6.860426      1.613173
  H      -4.045356     -8.343538      2.533016
  H      -2.005867     -4.452199      0.911195
  H      -3.634504     -5.137967      0.958441
  H      -1.210366     -5.888224      2.687185
  H      -2.035832     -6.925668      1.483375
  C      -2.987719     -2.533611      2.208078
  C      -4.145393     -2.190225      1.190835
  C      -4.131441     -0.781596      0.703525
  S      -3.943029     -0.324558     -0.867376
  C      -4.296340      0.303981      1.716462
  O      -4.401027      0.103965      2.918083
  C      -1.600135     -2.220640      1.638975
  C      -1.312338     -2.381448      0.271742
  C      -0.032964     -2.146998     -0.234055
  C       1.006546     -1.748760      0.608433
  C       0.704491     -1.571434      1.951289
  F       1.697032     -1.192061      2.806400
  C      -0.563991     -1.779409      2.477173
  C      -6.835810     -4.996068      4.146022
  C      -7.144131     -3.741909      3.291977
  C      -6.946156     -2.433164      4.017081
  S      -8.034597     -1.169347      3.881944
  C      -5.791693     -2.280025      4.810520
  O      -4.859007     -3.173550      4.869928
  C      -7.973632     -6.001743      4.114480
  C      -8.345179     -6.637684      5.305733
  C      -9.384111     -7.570632      5.321262
  C     -10.069481     -7.889746      4.147941
  C      -9.686540     -7.247346      2.975216
  F     -10.343764     -7.544898      1.821180
  C      -8.661001     -6.312789      2.931938
  C      -1.524574     -4.824271      6.531979
  C      -2.300033     -5.389599      7.816073
  C      -3.743627     -5.201570      7.562223
  S      -4.537571     -6.268333      6.502678
  C      -4.412114     -4.036452      8.120497
  O      -5.559578     -3.657021      7.871076
  C      -0.006349     -4.845402      6.597065
  C       0.697155     -4.339113      5.490292
  C       2.083218     -4.208656      5.521651
  C       2.805062     -4.605519      6.651291
  C       2.093657     -5.120998      7.727201
  F       2.777375     -5.514065      8.835327
  C       0.706604     -5.245344      7.730450
  H      -3.189768     -1.881408      3.058711
  H      -5.077411     -2.352365      1.753184
  H      -4.129368     -2.878835      0.338018
  H      -4.318886      1.328678      1.278720
  H      -2.101130     -2.669351     -0.422613
  H       0.158256     -2.279365     -1.299819
  H       2.016253     -1.567185      0.240482
  H      -0.729032     -1.580869      3.533038
  H      -6.756581     -4.693467      5.203669
  H      -6.510193     -3.767245      2.388366
  H      -8.182678     -3.760654      2.941796
  H      -5.624964     -1.362164      5.383206
  H      -7.810071     -6.392479      6.225098
  H      -9.668274     -8.052365      6.257878
  H     -10.887037     -8.610480      4.132865
  H      -8.412422     -5.839048      1.981031
  H      -1.796688     -3.766331      6.594217
  H      -2.033011     -6.445370      7.970414
  H      -1.955102     -4.791015      8.674577
  H      -3.778089     -3.470361      8.851211
  H       0.142655     -4.028398      4.604274
  H       2.601775     -3.775428      4.663456
  H       3.889776     -4.515679      6.707365
  H       0.209042     -5.640977      8.615544
  N      -2.344946     -2.674698      5.072492
  N      -1.691952     -1.783699      5.029864
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.505675275540
  N      -3.101173     -3.942388      2.645547
  C      -2.743638     -4.884308      1.595391
  C      -2.163673     -6.122883      2.222531
  N      -3.113328     -6.589788      3.264058
  C      -4.265604     -7.276384      2.613968
  C      -5.503525     -7.011930      3.426332
  N      -5.504763     -5.600834      3.756293
  Mo     -3.806298     -4.744975      4.416850
  N      -2.045869     -5.393989      5.301228
  C      -1.543850     -6.755863      5.123471
  C      -2.449715     -7.531595      4.195043
  H      -1.523066     -7.283216      6.093868
  H      -0.499996     -6.730917      4.762153
  H      -3.235791     -8.036279      4.768516
  H      -1.895167     -8.285967      3.611246
  H      -6.387543     -7.278782      2.829685
  H      -5.540493     -7.649541      4.333077
  H      -4.395152     -6.863779      1.606506
  H      -4.042527     -8.350650      2.522891
  H      -1.990473     -4.461724      0.915872
  H      -3.620498     -5.139681      0.964892
  H      -1.202586     -5.893029      2.699482
  H      -2.013525     -6.931568      1.486851
  C      -2.984295     -2.538240      2.215387
  C      -4.161907     -2.193829      1.219329
  C      -4.153175     -0.784044      0.736987
  S      -3.979009     -0.323416     -0.835155
  C      -4.305684      0.298288      1.753353
  O      -4.401123      0.094489      2.955329
  C      -1.609764     -2.219426      1.619662
  C      -1.339931     -2.387095      0.249922
  C      -0.064910     -2.162461     -0.271431
  C       0.987347     -1.769171      0.557143
  C       0.702276     -1.579465      1.902141
  F       1.705953     -1.199879      2.742882
  C      -0.563241     -1.772535      2.441381
  C      -6.820806     -4.991260      4.132514
  C      -7.122887     -3.736956      3.277676
  C      -6.914618     -2.431443      4.006762
  S      -7.990062     -1.156443      3.869450
  C      -5.762236     -2.293195      4.805047
  O      -4.834754     -3.195820      4.857229
  C      -7.962842     -5.991840      4.107563
  C      -8.328279     -6.629424      5.299898
  C      -9.369184     -7.560076      5.319626
  C     -10.062561     -7.875134      4.149803
  C      -9.686023     -7.230702      2.976259
  F     -10.351152     -7.523873      1.825640
  C      -8.658801     -6.298046      2.928910
  C      -1.541169     -4.834329      6.535515
  C      -2.310129     -5.405607      7.807200
  C      -3.752915     -5.212535      7.556514
  S      -4.556299     -6.261877      6.485523
  C      -4.415567     -4.043910      8.114172
  O      -5.564809     -3.665031      7.870653
  C      -0.022010     -4.846600      6.607995
  C       0.685334     -4.321165      5.512708
  C       2.070311     -4.180270      5.555984
  C       2.787240     -4.586111      6.685448
  C       2.072736     -5.122146      7.748836
  F       2.751584     -5.526436      8.855843
  C       0.686775     -5.256314      7.740593
  H      -3.171112     -1.887419      3.070455
  H      -5.081833     -2.356434      1.800565
  H      -4.163080     -2.881155      0.365407
  H      -4.326451      1.325098      1.320846
  H      -2.137317     -2.676823     -0.433775
  H       0.113232     -2.300994     -1.338675
  H       1.994370     -1.598008      0.176935
  H      -0.714147     -1.554359      3.494385
  H      -6.736045     -4.685623      5.188662
  H      -6.487559     -3.764270      2.375341
  H      -8.160243     -3.750063      2.923867
  H      -5.591918     -1.382410      5.386968
  H      -7.786265     -6.388150      6.216186
  H      -9.648774     -8.043187      6.256900
  H     -10.881684     -8.594177      4.138241
  H      -8.416056     -5.822423      1.977424
  H      -1.818554     -3.778498      6.599508
  H      -2.042604     -6.461960      7.955752
  H      -1.966596     -4.812301      8.669054
  H      -3.776624     -3.472662      8.836480
  H       0.134672     -4.006220      4.625674
  H       2.592403     -3.731480      4.708246
  H       3.870810     -4.488505      6.750245
  H       0.187495     -5.668472      8.617136
  N      -2.335135     -2.627744      5.116765
  N      -1.693173     -1.727579      5.072929
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.510009230809
  N      -3.083986     -3.949091      2.655695
  C      -2.730138     -4.890517      1.602978
  C      -2.153772     -6.132278      2.227572
  N      -3.108365     -6.602360      3.264107
  C      -4.259708     -7.285755      2.610362
  C      -5.498171     -7.016100      3.420925
  N      -5.494647     -5.602857      3.743750
  Mo     -3.793950     -4.752236      4.410658
  N      -2.050088     -5.397904      5.298571
  C      -1.541191     -6.758026      5.122505
  C      -2.447821     -7.540662      4.200263
  H      -1.509624     -7.281960      6.094142
  H      -0.499747     -6.728416      4.754353
  H      -3.234589     -8.040300      4.777208
  H      -1.893154     -8.299070      3.621759
  H      -6.383639     -7.284359      2.827056
  H      -5.535034     -7.648083      4.331578
  H      -4.386416     -6.870915      1.603447
  H      -4.040417     -8.360667      2.517528
  H      -1.976666     -4.470359      0.922261
  H      -3.609264     -5.140642      0.973408
  H      -1.197096     -5.899274      2.711975
  H      -1.994479     -6.937858      1.490674
  C      -2.982646     -2.543309      2.222234
  C      -4.176419     -2.195246      1.246758
  C      -4.166705     -0.784379      0.768409
  S      -4.004482     -0.321280     -0.804541
  C      -4.302174      0.296822      1.787645
  O      -4.387724      0.090829      2.990093
  C      -1.619655     -2.221384      1.604528
  C      -1.364692     -2.400546      0.233802
  C      -0.093608     -2.185270     -0.301292
  C       0.968679     -1.791836      0.514268
  C       0.697280     -1.586950      1.860178
  F       1.709700     -1.202095      2.686970
  C      -0.565423     -1.766354      2.411245
  C      -6.809524     -4.990276      4.123046
  C      -7.105312     -3.732568      3.271683
  C      -6.885059     -2.430592      4.005314
  S      -7.947971     -1.144509      3.868430
  C      -5.733154     -2.307085      4.805434
  O      -4.811153     -3.219901      4.847123
  C      -7.954747     -5.986300      4.098945
  C      -8.316834     -6.630031      5.289073
  C      -9.359537     -7.558779      5.307025
  C     -10.057849     -7.865973      4.137902
  C      -9.684597     -7.215376      2.966720
  F     -10.354318     -7.500672      1.816747
  C      -8.655855     -6.284228      2.921207
  C      -1.556270     -4.837215      6.539391
  C      -2.318621     -5.413344      7.798941
  C      -3.764113     -5.217337      7.555184
  S      -4.575590     -6.253586      6.476813
  C      -4.419972     -4.046563      8.115115
  O      -5.571365     -3.667312      7.880934
  C      -0.036067     -4.841301      6.613853
  C       0.672430     -4.302666      5.525971
  C       2.056843     -4.156728      5.575500
  C       2.771962     -4.570176      6.703516
  C       2.056480     -5.120179      7.758863
  F       2.733083     -5.534225      8.863716
  C       0.671114     -5.259336      7.744448
  H      -3.152364     -1.893652      3.081793
  H      -5.085592     -2.353608      1.844767
  H      -4.196440     -2.880562      0.391302
  H      -4.318409      1.325255      1.359069
  H      -2.169394     -2.695373     -0.439268
  H       0.073886     -2.332790     -1.369108
  H       1.973201     -1.630120      0.123334
  H      -0.703553     -1.526048      3.459308
  H      -6.720147     -4.684475      5.178641
  H      -6.469294     -3.761101      2.370037
  H      -8.142059     -3.738187      2.916244
  H      -5.555544     -1.405161      5.397893
  H      -7.770481     -6.395437      6.204543
  H      -9.636883     -8.046673      6.242535
  H     -10.878269     -8.583586      4.125264
  H      -8.416170     -5.803585      1.971447
  H      -1.837163     -3.781636      6.599075
  H      -2.053614     -6.470687      7.944480
  H      -1.977867     -4.826545      8.666042
  H      -3.773860     -3.470846      8.827579
  H       0.123348     -3.984325      4.638925
  H       2.580799     -3.698075      4.734427
  H       3.854961     -4.468671      6.772515
  H       0.171895     -5.683544      8.615381
  N      -2.327193     -2.570575      5.159942
  N      -1.699002     -1.662270      5.117431
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.513661610892
  N      -3.066678     -3.957057      2.664350
  C      -2.716885     -4.900709      1.610348
  C      -2.145151     -6.145556      2.233820
  N      -3.103692     -6.617652      3.266424
  C      -4.254439     -7.299168      2.611082
  C      -5.493803     -7.024106      3.419826
  N      -5.487526     -5.608602      3.734594
  Mo     -3.782923     -4.760825      4.406222
  N      -2.053437     -5.402168      5.298255
  C      -1.537531     -6.760334      5.124345
  C      -2.445330     -7.550768      4.209234
  H      -1.494512     -7.280492      6.097241
  H      -0.499123     -6.725489      4.747927
  H      -3.232907     -8.043786      4.790830
  H      -1.891129     -8.314368      3.637134
  H      -6.380438     -7.294986      2.829091
  H      -5.529229     -7.649442      4.335159
  H      -4.379033     -6.883248      1.604233
  H      -4.038163     -8.374671      2.518111
  H      -1.962444     -4.484723      0.928621
  H      -3.598897     -5.145715      0.982861
  H      -1.192200     -5.910409      2.724635
  H      -1.978338     -6.948649      1.496099
  C      -2.980208     -2.549759      2.227110
  C      -4.187401     -2.197954      1.271427
  C      -4.175766     -0.786114      0.795971
  S      -4.024345     -0.320328     -0.776977
  C      -4.294975      0.294620      1.818400
  O      -4.369739      0.086675      3.021098
  C      -1.626985     -2.223008      1.592407
  C      -1.383620     -2.414121      0.221398
  C      -0.116397     -2.205448     -0.325464
  C       0.953041     -1.807887      0.478721
  C       0.691743     -1.587538      1.824433
  F       1.710114     -1.192401      2.638427
  C      -0.567974     -1.756785      2.386111
  C      -6.801193     -4.992304      4.116599
  C      -7.089904     -3.729257      3.271003
  C      -6.857081     -2.430257      4.008079
  S      -7.908435     -1.134038      3.872078
  C      -5.705285     -2.320211      4.808692
  O      -4.789115     -3.243415      4.838989
  C      -7.950330     -5.982637      4.089175
  C      -8.312371     -6.634448      5.274935
  C      -9.358003     -7.560049      5.287143
  C     -10.059199     -7.856213      4.116812
  C      -9.685940     -7.197506      2.950110
  F     -10.358179     -7.471974      1.798928
  C      -8.654506     -6.269105      2.910340
  C      -1.569317     -4.837145      6.544112
  C      -2.326639     -5.418080      7.792987
  C      -3.776475     -5.219911      7.557841
  S      -4.596315     -6.245614      6.475364
  C      -4.423268     -4.047649      8.123212
  O      -5.576460     -3.665778      7.901353
  C      -0.048349     -4.832619      6.616637
  C       0.657839     -4.284767      5.532202
  C       2.042072     -4.136818      5.582157
  C       2.758989     -4.556032      6.707165
  C       2.045417     -5.115232      7.758893
  F       2.723235     -5.536693      8.860304
  C       0.660289     -5.257110      7.743849
  H      -3.133704     -1.902566      3.091682
  H      -5.087449     -2.350535      1.883726
  H      -4.225475     -2.880653      0.414372
  H      -4.307546      1.324232      1.392704
  H      -2.194079     -2.715812     -0.441767
  H       0.042774     -2.362177     -1.393287
  H       1.955082     -1.652698      0.078859
  H      -0.695821     -1.493366      3.428936
  H      -6.708338     -4.688419      5.172454
  H      -6.453938     -3.759518      2.369444
  H      -8.126613     -3.726076      2.915694
  H      -5.517885     -1.428038      5.411839
  H      -7.763449     -6.408690      6.191134
  H      -9.635628     -8.054257      6.219303
  H     -10.881718     -8.571376      4.100008
  H      -8.414966     -5.781827      1.963913
  H      -1.853469     -3.781859      6.594970
  H      -2.066735     -6.476861      7.937133
  H      -1.989321     -4.838948      8.666677
  H      -3.767701     -3.470496      8.826007
  H       0.107408     -3.963989      4.646533
  H       2.565521     -3.672507      4.743938
  H       3.841864     -4.452696      6.775820
  H       0.163149     -5.689974      8.611810
  N      -2.320964     -2.505091      5.201065
  N      -1.707189     -1.587187      5.162139
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -6875.546824572217
  N      -3.050125     -3.964813      2.670911
  C      -2.705215     -4.911571      1.616374
  C      -2.139274     -6.159882      2.239432
  N      -3.100561     -6.633682      3.269270
  C      -4.251922     -7.313375      2.614452
  C      -5.491756     -7.033295      3.422436
  N      -5.484170     -5.615800      3.729187
  Mo     -3.773634     -4.770343      4.403634
  N      -2.055241     -5.407543      5.298937
  C      -1.533010     -6.763529      5.126207
  C      -2.443450     -7.561076      4.218930
  H      -1.477939     -7.280420      6.099937
  H      -0.498261     -6.723523      4.740063
  H      -3.231801     -8.046271      4.806153
  H      -1.890874     -8.330708      3.653346
  H      -6.379723     -7.307338      2.835188
  H      -5.524428     -7.652072      4.342383
  H      -4.375460     -6.896677      1.607652
  H      -4.038572     -8.389494      2.521777
  H      -1.948979     -4.500295      0.933840
  H      -3.590466     -5.151033      0.991498
  H      -1.189046     -5.924238      2.735355
  H      -1.967047     -6.960583      1.500471
  C      -2.976989     -2.556809      2.231547
  C      -4.194643     -2.200845      1.293865
  C      -4.180488     -0.788503      0.819077
  S      -4.038730     -0.321011     -0.753501
  C      -4.284566      0.292849      1.844274
  O      -4.348223      0.083875      3.047074
  C      -1.631773     -2.226433      1.583808
  C      -1.397361     -2.432074      0.213431
  C      -0.133943     -2.228490     -0.343947
  C       0.940265     -1.822082      0.449576
  C       0.686375     -1.584931      1.793949
  F       1.708534     -1.174782      2.595638
  C      -0.570020     -1.746794      2.365748
  C      -6.795949     -4.995528      4.114055
  C      -7.077021     -3.725365      3.276593
  C      -6.832127     -2.429263      4.017084
  S      -7.873483     -1.124355      3.882539
  C      -5.679937     -2.330740      4.817065
  O      -4.769602     -3.263619      4.835637
  C      -7.948668     -5.980480      4.078944
  C      -8.313437     -6.642121      5.258421
  C      -9.361755     -7.564782      5.261157
  C     -10.062728     -7.848576      4.087590
  C      -9.686523     -7.180288      2.927204
  F     -10.358161     -7.442882      1.772856
  C      -8.652608     -6.254366      2.896869
  C      -1.580034     -4.834953      6.547538
  C      -2.333758     -5.420459      7.788665
  C      -3.788490     -5.221622      7.563183
  S      -4.617363     -6.238900      6.479598
  C      -4.425125     -4.048605      8.136816
  O      -5.579792     -3.662777      7.929387
  C      -0.058698     -4.821218      6.617149
  C       0.642966     -4.266974      5.533357
  C       2.027240     -4.118681      5.579930
  C       2.748150     -4.541839      6.701179
  C       2.038329     -5.106596      7.752521
  F       2.719701     -5.532966      8.849929
  C       0.653212     -5.250145      7.740487
  H      -3.115159     -1.913365      3.101772
  H      -5.087484     -2.346044      1.917862
  H      -4.249255     -2.881488      0.435941
  H      -4.295320      1.322887      1.419579
  H      -2.212359     -2.742925     -0.439971
  H       0.018769     -2.396077     -1.411097
  H       1.939854     -1.671298      0.042010
  H      -0.689821     -1.459626      3.402872
  H      -6.701068     -4.696419      5.171124
  H      -6.441965     -3.757027      2.374446
  H      -8.114092     -3.712487      2.922835
  H      -5.481619     -1.448607      5.430524
  H      -7.764475     -6.425998      6.176963
  H      -9.641849     -8.066551      6.188576
  H     -10.887063     -8.561462      4.063631
  H      -8.410477     -5.759359      1.955137
  H      -1.868771     -3.780070      6.586402
  H      -2.079047     -6.480605      7.932174
  H      -1.999559     -4.848765      8.668818
  H      -3.758477     -3.472253      8.829973
  H       0.089162     -3.944659      4.650001
  H       2.548633     -3.651857      4.741810
  H       3.831175     -4.437843      6.766572
  H       0.159085     -5.688982      8.607250
  N      -2.315195     -2.431865      5.241204
  N      -1.716479     -1.504778      5.207434
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.519582331410
  N      -3.034261     -3.972070      2.675648
  C      -2.694325     -4.921863      1.620449
  C      -2.134181     -6.173664      2.242876
  N      -3.098046     -6.649373      3.270060
  C      -4.250269     -7.327470      2.616368
  C      -5.490224     -7.042397      3.424388
  N      -5.481414     -5.622884      3.722853
  Mo     -3.764636     -4.779527      4.398945
  N      -2.056911     -5.412469      5.296934
  C      -1.528510     -6.766277      5.125424
  C      -2.441819     -7.570913      4.226361
  H      -1.461172     -7.279714      6.099913
  H      -0.497644     -6.721283      4.729295
  H      -3.230758     -8.048210      4.819358
  H      -1.891006     -8.346564      3.667288
  H      -6.379886     -7.319845      2.841336
  H      -5.519365     -7.654415      4.349021
  H      -4.373339     -6.910178      1.609617
  H      -4.039752     -8.404187      2.524067
  H      -1.936385     -4.515276      0.937060
  H      -3.582826     -5.155690      0.998241
  H      -1.186717     -5.937455      2.743884
  H      -1.956494     -6.971910      1.502666
  C      -2.973763     -2.563458      2.234916
  C      -4.200641     -2.202739      1.314310
  C      -4.182291     -0.790267      0.839157
  S      -4.048441     -0.322324     -0.733214
  C      -4.270816      0.292448      1.866135
  O      -4.324172      0.083239      3.069036
  C      -1.635811     -2.230371      1.575820
  C      -1.408062     -2.450645      0.206709
  C      -0.147453     -2.252545     -0.358851
  C       0.930116     -1.837466      0.425799
  C       0.681330     -1.583426      1.768166
  F       1.705900     -1.158564      2.558958
  C      -0.572697     -1.737735      2.347833
  C      -6.791073     -4.999442      4.112690
  C      -7.066783     -3.721593      3.285204
  C      -6.809945     -2.429286      4.030448
  S      -7.844036     -1.117719      3.903601
  C      -5.655751     -2.342202      4.827256
  O      -4.750906     -3.284272      4.831823
  C      -7.947060     -5.979393      4.070752
  C      -8.313426     -6.651261      5.243967
  C      -9.364311     -7.571005      5.237897
  C     -10.066064     -7.842100      4.061754
  C      -9.688037     -7.163849      2.907665
  F     -10.360074     -7.414214      1.750784
  C      -8.651841     -6.240318      2.886132
  C      -1.590694     -4.832202      6.548236
  C      -2.340701     -5.421893      7.781706
  C      -3.800280     -5.222942      7.565960
  S      -4.637544     -6.232173      6.481367
  C      -4.427172     -4.049332      8.147455
  O      -5.583382     -3.660243      7.954624
  C      -0.069081     -4.809327      6.615841
  C       0.629324     -4.249483      5.533167
  C       2.013646     -4.100966      5.577989
  C       2.737178     -4.527206      6.696639
  C       2.029856     -5.096681      7.747092
  F       2.713392     -5.527037      8.841684
  C       0.644813     -5.241895      7.736413
  H      -3.096774     -1.923812      3.110486
  H      -5.086660     -2.339400      1.949334
  H      -4.271748     -2.881734      0.456165
  H      -4.278246      1.322616      1.441703
  H      -2.226447     -2.770413     -0.438203
  H       0.000712     -2.431119     -1.424893
  H       1.927968     -1.691368      0.012352
  H      -0.686527     -1.427105      3.378491
  H      -6.692827     -4.705956      5.171044
  H      -6.434342     -3.752917      2.381275
  H      -8.104702     -3.699585      2.934853
  H      -5.445921     -1.470887      5.451310
  H      -7.763696     -6.444976      6.164353
  H      -9.646029     -8.080587      6.160601
  H     -10.892155     -8.552717      4.031172
  H      -8.408083     -5.737226      1.949128
  H      -1.883959     -3.777851      6.574851
  H      -2.090933     -6.483268      7.924887
  H      -2.009799     -4.857422      8.668121
  H      -3.749834     -3.473353      8.830685
  H       0.073239     -3.926180      4.651258
  H       2.534113     -3.632342      4.740357
  H       3.820261     -4.422481      6.760023
  H       0.152635     -5.685923      8.601725
  N      -2.313790     -2.357087      5.279842
  N      -1.730796     -1.420602      5.251670
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.522210724225
  N      -3.017721     -3.982484      2.678918
  C      -2.684376     -4.936859      1.624398
  C      -2.130978     -6.192007      2.247539
  N      -3.096324     -6.667949      3.273489
  C      -4.250789     -7.343630      2.622631
  C      -5.490429     -7.053097      3.430922
  N      -5.481046     -5.631691      3.721028
  Mo     -3.756175     -4.792155      4.397324
  N      -2.055945     -5.421569      5.297155
  C      -1.522693     -6.773142      5.126711
  C      -2.440885     -7.583536      4.236758
  H      -1.443124     -7.283163      6.101884
  H      -0.496141     -6.724334      4.719636
  H      -3.230693     -8.051137      4.836442
  H      -1.893464     -8.366514      3.684537
  H      -6.381417     -7.334153      2.851628
  H      -5.516099     -7.658663      4.359956
  H      -4.373501     -6.926156      1.615745
  H      -4.043956     -8.421183      2.531301
  H      -1.924352     -4.536587      0.939753
  H      -3.576400     -5.165325      1.005406
  H      -1.184857     -5.956954      2.751591
  H      -1.950772     -6.988571      1.506130
  C      -2.969233     -2.573233      2.238848
  C      -4.203773     -2.210695      1.332740
  C      -4.186067     -0.798385      0.855789
  S      -4.059124     -0.330197     -0.716063
  C      -4.266265      0.285646      1.884353
  O      -4.309510      0.076417      3.087182
  C      -1.637609     -2.233968      1.571514
  C      -1.415052     -2.466785      0.203568
  C      -0.157961     -2.269745     -0.369838
  C       0.921118     -1.842832      0.406512
  C       0.675919     -1.574327      1.746625
  F       1.701084     -1.131325      2.527041
  C      -0.574842     -1.726409      2.334514
  C      -6.787579     -5.002881      4.113683
  C      -7.054567     -3.716536      3.296305
  C      -6.786648     -2.427724      4.045762
  S      -7.812705     -1.109368      3.922450
  C      -5.631275     -2.350261      4.840695
  O      -4.732562     -3.300777      4.833944
  C      -7.948214     -5.976213      4.060358
  C      -8.320808     -6.658303      5.225689
  C      -9.375163     -7.573892      5.207153
  C     -10.074057     -7.830948      4.026161
  C      -9.689674     -7.142744      2.879998
  F     -10.358567     -7.379726      1.718437
  C      -8.650110     -6.222869      2.870898
  C      -1.597811     -4.829059      6.547436
  C      -2.345385     -5.421761      7.777918
  C      -3.809537     -5.223995      7.572452
  S      -4.656647     -6.227227      6.490194
  C      -4.426827     -4.050737      8.164429
  O      -5.584790     -3.658950      7.988671
  C      -0.076186     -4.796401      6.612863
  C       0.616670     -4.233731      5.528276
  C       2.001074     -4.085192      5.567505
  C       2.729545     -4.511801      6.682985
  C       2.026959     -5.082696      7.735931
  F       2.715323     -5.513573      8.827316
  C       0.641912     -5.229670      7.730341
  H      -3.080402     -1.938989      3.120274
  H      -5.084838     -2.341709      1.975745
  H      -4.285905     -2.888974      0.474957
  H      -4.275551      1.315450      1.458890
  H      -2.235927     -2.796321     -0.433274
  H      -0.013538     -2.457693     -1.434798
  H       1.916750     -1.697100     -0.012320
  H      -0.684231     -1.394437      3.359777
  H      -6.688753     -4.716975      5.174095
  H      -6.424174     -3.748445      2.390954
  H      -8.093150     -3.684089      2.948877
  H      -5.410270     -1.488657      5.473665
  H      -7.773169     -6.462821      6.149699
  H      -9.661926     -8.091391      6.123920
  H     -10.902514     -8.538334      3.985959
  H      -8.400725     -5.711716      1.939772
  H      -1.897762     -3.775918      6.558976
  H      -2.098704     -6.483975      7.920753
  H      -2.016006     -4.862853      8.668961
  H      -3.738502     -3.477197      8.838814
  H       0.056191     -3.910931      4.648730
  H       2.518637     -3.617408      4.727521
  H       3.812851     -4.406564      6.741588
  H       0.152998     -5.676243      8.596217
  N      -2.309598     -2.278844      5.319454
  N      -1.741737     -1.333349      5.298838
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.523938929230
  N      -3.013476     -3.998099      2.671369
  C      -2.682234     -4.968575      1.633994
  C      -2.140515     -6.222588      2.272021
  N      -3.106478     -6.688541      3.298143
  C      -4.267956     -7.353471      2.649338
  C      -5.503376     -7.064693      3.463280
  N      -5.496810     -5.643280      3.757562
  Mo     -3.756804     -4.812469      4.422463
  N      -2.039342     -5.451536      5.317429
  C      -1.520384     -6.805653      5.146989
  C      -2.458668     -7.606850      4.266719
  H      -1.439808     -7.315484      6.122882
  H      -0.497802     -6.768828      4.728293
  H      -3.254316     -8.055030      4.873744
  H      -1.927446     -8.404492      3.719435
  H      -6.392135     -7.345173      2.880100
  H      -5.527377     -7.676416      4.388358
  H      -4.389856     -6.930554      1.644391
  H      -4.067566     -8.432202      2.554697
  H      -1.914466     -4.581398      0.951193
  H      -3.572175     -5.200757      1.013268
  H      -1.189063     -5.999070      2.770491
  H      -1.972866     -7.023501      1.531597
  C      -2.960057     -2.587517      2.246281
  C      -4.187704     -2.237746      1.329053
  C      -4.193520     -0.827038      0.844078
  S      -4.069409     -0.358326     -0.725800
  C      -4.304802      0.256441      1.874653
  O      -4.339418      0.050815      3.077453
  C      -1.621694     -2.228690      1.594845
  C      -1.396442     -2.463134      0.226232
  C      -0.147860     -2.242155     -0.355399
  C       0.923073     -1.783338      0.413296
  C       0.676465     -1.515735      1.751676
  F       1.693901     -1.038322      2.525532
  C      -0.564155     -1.698053      2.352817
  C      -6.803613     -5.006343      4.127428
  C      -7.034256     -3.713238      3.307169
  C      -6.779586     -2.423813      4.060209
  S      -7.810291     -1.115570      3.904670
  C      -5.636701     -2.332427      4.873440
  O      -4.735720     -3.275633      4.883389
  C      -7.968903     -5.969724      4.037288
  C      -8.381950     -6.643279      5.192547
  C      -9.442463     -7.550542      5.147034
  C     -10.107245     -7.806753      3.946687
  C      -9.683013     -7.126268      2.809971
  F     -10.318699     -7.363226      1.629952
  C      -8.636207     -6.214378      2.828179
  C      -1.572639     -4.829604      6.541386
  C      -2.330624     -5.413657      7.802800
  C      -3.795872     -5.225255      7.603813
  S      -4.650957     -6.243203      6.541637
  C      -4.412567     -4.057887      8.214468
  O      -5.574913     -3.673101      8.062178
  C      -0.051600     -4.794039      6.600535
  C       0.620767     -4.249554      5.492909
  C       2.004691     -4.098605      5.501236
  C       2.753503     -4.501962      6.610897
  C       2.071450     -5.050860      7.689610
  F       2.782741     -5.452151      8.777141
  C       0.686179     -5.203591      7.714005
  H      -3.088146     -1.966581      3.135509
  H      -5.079467     -2.379727      1.957975
  H      -4.246018     -2.919963      0.472733
  H      -4.341265      1.282716      1.440826
  H      -2.215585     -2.806328     -0.405352
  H      -0.004708     -2.431684     -1.420043
  H       1.912491     -1.613363     -0.010816
  H      -0.679924     -1.363663      3.384017
  H      -6.733569     -4.736498      5.195144
  H      -6.384701     -3.749624      2.413712
  H      -8.070237     -3.669416      2.943417
  H      -5.423351     -1.459663      5.501828
  H      -7.861677     -6.447081      6.131930
  H      -9.760206     -8.061769      6.057052
  H     -10.939675     -8.507759      3.884348
  H      -8.352509     -5.708811      1.903908
  H      -1.886050     -3.779826      6.532084
  H      -2.074336     -6.474014      7.946603
  H      -1.988990     -4.844611      8.683960
  H      -3.718344     -3.496841      8.893000
  H       0.042094     -3.938850      4.621372
  H       2.504545     -3.648489      4.639898
  H       3.837437     -4.393668      6.647333
  H       0.210226     -5.630581      8.596315
  N      -2.281137     -2.227726      5.338560
  N      -1.716895     -1.279277      5.329201
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.526449919718
  N      -3.006973     -4.008967      2.680693
  C      -2.680141     -4.980199      1.641367
  C      -2.143374     -6.238956      2.277315
  N      -3.109459     -6.706374      3.303442
  C      -4.274768     -7.367381      2.660172
  C      -5.506309     -7.076858      3.479009
  N      -5.499488     -5.655411      3.768943
  Mo     -3.750557     -4.828822      4.428375
  N      -2.037152     -5.465272      5.316649
  C      -1.516166     -6.817401      5.146250
  C      -2.463146     -7.620850      4.277104
  H      -1.422565     -7.324379      6.122301
  H      -0.498841     -6.778769      4.714768
  H      -3.259571     -8.057433      4.891614
  H      -1.938651     -8.427252      3.736064
  H      -6.398248     -7.359769      2.901910
  H      -5.525074     -7.684854      4.406700
  H      -4.399863     -6.942227      1.656476
  H      -4.078227     -8.446630      2.563194
  H      -1.910874     -4.596146      0.958065
  H      -3.572305     -5.207332      1.022040
  H      -1.192202     -6.017796      2.777243
  H      -1.974849     -7.037150      1.534180
  C      -2.961901     -2.598145      2.257564
  C      -4.192086     -2.248795      1.345675
  C      -4.187793     -0.844738      0.841101
  S      -4.062919     -0.397083     -0.734132
  C      -4.282634      0.253562      1.859047
  O      -4.305554      0.064193      3.064410
  C      -1.627157     -2.235800      1.600982
  C      -1.403314     -2.487172      0.235183
  C      -0.158404     -2.264161     -0.353001
  C       0.910030     -1.784571      0.406527
  C       0.664209     -1.500996      1.741596
  F       1.679435     -1.002790      2.505355
  C      -0.572135     -1.687555      2.350433
  C      -6.802273     -5.012385      4.136825
  C      -7.018171     -3.709946      3.329450
  C      -6.754295     -2.426667      4.088261
  S      -7.781223     -1.108632      3.938549
  C      -5.611713     -2.346358      4.901944
  O      -4.716496     -3.294540      4.901289
  C      -7.973840     -5.966168      4.025699
  C      -8.403451     -6.650421      5.168968
  C      -9.468740     -7.550756      5.101796
  C     -10.121745     -7.789647      3.891447
  C      -9.681054     -7.099143      2.767061
  F     -10.304985     -7.319446      1.577577
  C      -8.629276     -6.193753      2.806783
  C      -1.573890     -4.829711      6.535345
  C      -2.323810     -5.416755      7.799365
  C      -3.793531     -5.231147      7.615334
  S      -4.660961     -6.244079      6.558351
  C      -4.403569     -4.068958      8.242852
  O      -5.568752     -3.685669      8.110788
  C      -0.052936     -4.780164      6.589037
  C       0.610325     -4.227648      5.479833
  C       1.993318     -4.069202      5.481762
  C       2.749865     -4.470674      6.587072
  C       2.076274     -5.025507      7.667992
  F       2.795143     -5.423885      8.751574
  C       0.692309     -5.187714      7.698126
  H      -3.083659     -1.980434      3.150359
  H      -5.081994     -2.372716      1.980506
  H      -4.260811     -2.941442      0.498494
  H      -4.316837      1.273942      1.411234
  H      -2.222214     -2.844735     -0.388676
  H      -0.016233     -2.467284     -1.415273
  H       1.897039     -1.612351     -0.022014
  H      -0.685004     -1.335185      3.376872
  H      -6.739290     -4.754632      5.207907
  H      -6.368866     -3.747907      2.435466
  H      -8.052676     -3.653879      2.964462
  H      -5.392126     -1.484223      5.539324
  H      -7.892246     -6.467679      6.116103
  H      -9.799352     -8.070204      6.002536
  H     -10.957381     -8.485079      3.812202
  H      -8.331888     -5.680133      1.891389
  H      -1.898018     -3.783070      6.513955
  H      -2.066343     -6.477271      7.939486
  H      -1.978175     -4.851571      8.681713
  H      -3.698722     -3.508446      8.910797
  H       0.024991     -3.917588      4.612417
  H       2.487084     -3.615353      4.619107
  H       3.833315     -4.356185      6.618330
  H       0.222535     -5.619396      8.581433
  N      -2.278197     -2.151989      5.385911
  N      -1.729461     -1.195152      5.385834
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.528589749379
  N      -3.001454     -4.016948      2.690016
  C      -2.673704     -4.991778      1.652632
  C      -2.143419     -6.254047      2.290985
  N      -3.112847     -6.720192      3.315589
  C      -4.280829     -7.378716      2.677945
  C      -5.506179     -7.086930      3.504552
  N      -5.499980     -5.664095      3.783031
  Mo     -3.744177     -4.838274      4.434802
  N      -2.035916     -5.472848      5.318242
  C      -1.518592     -6.826362      5.156403
  C      -2.472771     -7.631214      4.296783
  H      -1.419272     -7.327050      6.135018
  H      -0.504136     -6.792195      4.717537
  H      -3.272707     -8.053919      4.916442
  H      -1.955085     -8.448102      3.764841
  H      -6.402261     -7.376374      2.937184
  H      -5.516169     -7.687681      4.437235
  H      -4.410937     -6.952849      1.675085
  H      -4.087192     -8.458479      2.579897
  H      -1.900786     -4.611999      0.971025
  H      -3.564826     -5.216541      1.031022
  H      -1.193760     -6.034088      2.794102
  H      -1.972123     -7.051850      1.548133
  C      -2.966161     -2.605503      2.267989
  C      -4.198482     -2.262853      1.357009
  C      -4.187987     -0.867275      0.829428
  S      -4.064171     -0.444276     -0.752366
  C      -4.270623      0.246994      1.831583
  O      -4.277898      0.076538      3.039788
  C      -1.635833     -2.233560      1.608199
  C      -1.410488     -2.499315      0.245364
  C      -0.169879     -2.267365     -0.347913
  C       0.892330     -1.761571      0.403242
  C       0.644023     -1.463061      1.734507
  F       1.653158     -0.938997      2.488778
  C      -0.587514     -1.662118      2.349584
  C      -6.801514     -5.020307      4.147736
  C      -7.006395     -3.709799      3.352534
  C      -6.736515     -2.432021      4.115341
  S      -7.760422     -1.105931      3.965953
  C      -5.592733     -2.357463      4.926225
  O      -4.699325     -3.307043      4.918218
  C      -7.975957     -5.967396      4.013475
  C      -8.424607     -6.661190      5.143689
  C      -9.492801     -7.556039      5.052870
  C     -10.130272     -7.779547      3.831347
  C      -9.671206     -7.079616      2.720234
  F     -10.279899     -7.284597      1.520199
  C      -8.616056     -6.179528      2.783693
  C      -1.570552     -4.822048      6.528483
  C      -2.314464     -5.402973      7.798993
  C      -3.787188     -5.220956      7.627020
  S      -4.666651     -6.232311      6.578361
  C      -4.392765     -4.061441      8.264042
  O      -5.559413     -3.679194      8.143337
  C      -0.049286     -4.771409      6.575164
  C       0.610965     -4.217729      5.464711
  C       1.995259     -4.070126      5.459167
  C       2.755622     -4.483674      6.557416
  C       2.084711     -5.039143      7.639351
  F       2.807364     -5.449755      8.715807
  C       0.699901     -5.190779      7.677188
  H      -3.088067     -1.989804      3.162675
  H      -5.086665     -2.370163      1.996709
  H      -4.274148     -2.969144      0.521619
  H      -4.306230      1.260423      1.368255
  H      -2.226071     -2.875179     -0.371958
  H      -0.026271     -2.483527     -1.407412
  H       1.876299     -1.581217     -0.028841
  H      -0.700035     -1.296392      3.371737
  H      -6.750159     -4.777112      5.223193
  H      -6.357558     -3.749230      2.458061
  H      -8.039533     -3.644909      2.984887
  H      -5.370187     -1.499638      5.567809
  H      -7.926159     -6.489862      6.099765
  H      -9.837979     -8.082898      5.943779
  H     -10.967802     -8.470319      3.733598
  H      -8.303673     -5.658104      1.877805
  H      -1.898610     -3.776621      6.491860
  H      -2.053961     -6.462341      7.942567
  H      -1.963878     -4.834987      8.677869
  H      -3.681279     -3.499660      8.923829
  H       0.022350     -3.899091      4.602458
  H       2.488187     -3.617169      4.595988
  H       3.840162     -4.378296      6.582119
  H       0.232307     -5.625777      8.560022
  N      -2.280965     -2.073371      5.427642
  N      -1.748259     -1.107929      5.437285
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.530198571591
  N      -3.001266     -4.027021      2.704399
  C      -2.666899     -5.004921      1.670327
  C      -2.144172     -6.270988      2.312287
  N      -3.118915     -6.735277      3.333842
  C      -4.290280     -7.389360      2.701818
  C      -5.504712     -7.098789      3.543237
  N      -5.499120     -5.673717      3.806241
  Mo     -3.736170     -4.848945      4.447594
  N      -2.032713     -5.484197      5.321519
  C      -1.527023     -6.843161      5.175641
  C      -2.488206     -7.645926      4.321773
  H      -1.431302     -7.335143      6.158887
  H      -0.512575     -6.821036      4.735808
  H      -3.293519     -8.054630      4.943787
  H      -1.978153     -8.473215      3.798503
  H      -6.407389     -7.397408      2.991545
  H      -5.499484     -7.690603      4.481779
  H      -4.429557     -6.959587      1.701792
  H      -4.099465     -8.469293      2.598637
  H      -1.888070     -4.628120      0.993481
  H      -3.553845     -5.228247      1.042358
  H      -1.196814     -6.052598      2.820193
  H      -1.969007     -7.068660      1.570333
  C      -2.975598     -2.615416      2.283820
  C      -4.208851     -2.282047      1.369538
  C      -4.191253     -0.897938      0.812825
  S      -4.065008     -0.507140     -0.777024
  C      -4.262035      0.236257      1.793214
  O      -4.260526      0.090156      3.004623
  C      -1.648754     -2.234998      1.622075
  C      -1.420182     -2.518270      0.263250
  C      -0.183914     -2.277269     -0.334921
  C       0.870385     -1.741648      0.406545
  C       0.618391     -1.425930      1.733119
  F       1.620236     -0.874973      2.477444
  C      -0.607896     -1.638995      2.354288
  C      -6.800884     -5.030246      4.165512
  C      -6.988529     -3.710927      3.382337
  C      -6.711764     -2.438560      4.146929
  S      -7.725574     -1.099152      3.987114
  C      -5.573526     -2.374228      4.964064
  O      -4.680396     -3.322938      4.949128
  C      -7.979923     -5.965982      3.996103
  C      -8.457046     -6.672800      5.106342
  C      -9.530531     -7.557187      4.981080
  C     -10.145143     -7.757245      3.743901
  C      -9.658002     -7.045087      2.652698
  F     -10.244051     -7.226969      1.437845
  C      -8.596798     -6.155282      2.750787
  C      -1.560566     -4.815332      6.519628
  C      -2.294474     -5.385488      7.801300
  C      -3.770272     -5.209989      7.644182
  S      -4.661563     -6.222201      6.605774
  C      -4.374053     -4.054064      8.289650
  O      -5.544026     -3.678253      8.182579
  C      -0.039313     -4.761335      6.553460
  C       0.610695     -4.192528      5.444735
  C       1.995150     -4.048060      5.427234
  C       2.765861     -4.480144      6.511104
  C       2.104799     -5.049525      7.591764
  F       2.837447     -5.477490      8.654613
  C       0.720089     -5.197998      7.641707
  H      -3.101653     -2.000473      3.178882
  H      -5.095827     -2.369628      2.013406
  H      -4.291325     -3.006091      0.549987
  H      -4.305583      1.240236      1.310372
  H      -2.230680     -2.915983     -0.346911
  H      -0.037514     -2.509897     -1.390544
  H       1.851156     -1.552866     -0.029120
  H      -0.719382     -1.264117      3.373256
  H      -6.769027     -4.806881      5.246626
  H      -6.337279     -3.755171      2.489447
  H      -8.018196     -3.635262      3.006434
  H      -5.355537     -1.522535      5.615190
  H      -7.977109     -6.519665      6.074949
  H      -9.897587     -8.094065      5.857121
  H     -10.986192     -8.439329      3.619179
  H      -8.261454     -5.623951      1.859025
  H      -1.892589     -3.771300      6.467572
  H      -2.028549     -6.442815      7.950277
  H      -1.936516     -4.810295      8.672663
  H      -3.659013     -3.491023      8.944490
  H       0.013580     -3.858620      4.593934
  H       2.480874     -3.583194      4.566541
  H       3.850868     -4.377777      6.526065
  H       0.260515     -5.644985      8.522756
  N      -2.279681     -2.004103      5.470142
  N      -1.761279     -1.031366      5.489679
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.531000814992
  N      -2.999838     -4.027225      2.712413
  C      -2.648890     -5.006575      1.684568
  C      -2.133501     -6.273275      2.334829
  N      -3.118415     -6.735484      3.348873
  C      -4.287831     -7.386969      2.713756
  C      -5.494790     -7.100959      3.565853
  N      -5.493026     -5.673261      3.813880
  Mo     -3.730830     -4.845281      4.452461
  N      -2.034423     -5.481483      5.325534
  C      -1.543319     -6.847997      5.203153
  C      -2.501088     -7.647590      4.343490
  H      -1.467031     -7.330065      6.192812
  H      -0.522554     -6.841606      4.777725
  H      -3.314121     -8.049543      4.959529
  H      -1.991787     -8.479751      3.827349
  H      -6.401668     -7.410536      3.027572
  H      -5.475154     -7.684119      4.509558
  H      -4.432869     -6.951310      1.717219
  H      -4.096212     -8.466247      2.603673
  H      -1.860729     -4.630140      1.017798
  H      -3.525921     -5.231804      1.043535
  H      -1.191402     -6.053776      2.851861
  H      -1.949857     -7.071987      1.596172
  C      -2.984665     -2.616281      2.289901
  C      -4.219087     -2.294432      1.370347
  C      -4.203160     -0.917755      0.796288
  S      -4.078631     -0.546683     -0.798913
  C      -4.276455      0.227552      1.762083
  O      -4.253430      0.096992      2.975266
  C      -1.662826     -2.223689      1.627448
  C      -1.430075     -2.514450      0.270909
  C      -0.198081     -2.258583     -0.329582
  C       0.846900     -1.697750      0.406361
  C       0.589651     -1.373933      1.730153
  F       1.581243     -0.797429      2.467941
  C      -0.632010     -1.605805      2.353841
  C      -6.797433     -5.036305      4.170684
  C      -6.987386     -3.712746      3.396981
  C      -6.707336     -2.443911      4.162532
  S      -7.718567     -1.098222      3.999248
  C      -5.567251     -2.379042      4.975935
  O      -4.670941     -3.323678      4.960707
  C      -7.974111     -5.972986      3.986311
  C      -8.465617     -6.679077      5.090698
  C      -9.538156     -7.562776      4.952614
  C     -10.137955     -7.762250      3.708106
  C      -9.637130     -7.050547      2.622769
  F     -10.208926     -7.231542      1.401137
  C      -8.576568     -6.161508      2.733717
  C      -1.554250     -4.799874      6.513878
  C      -2.287623     -5.347861      7.804704
  C      -3.763333     -5.178237      7.649572
  S      -4.657993     -6.197602      6.620252
  C      -4.371402     -4.021639      8.289757
  O      -5.538900     -3.642648      8.167729
  C      -0.032756     -4.766538      6.543280
  C       0.623287     -4.196893      5.438783
  C       2.010881     -4.086059      5.414030
  C       2.778045     -4.554261      6.485461
  C       2.110633     -5.124912      7.561273
  F       2.839496     -5.589946      8.611084
  C       0.723200     -5.239213      7.618795
  H      -3.120277     -2.000195      3.183009
  H      -5.104060     -2.373348      2.017066
  H      -4.302965     -3.030750      0.561774
  H      -4.310365      1.226554      1.268388
  H      -2.233840     -2.930524     -0.335756
  H      -0.047970     -2.499128     -1.382932
  H       1.823889     -1.494942     -0.031518
  H      -0.744726     -1.230696      3.371747
  H      -6.775268     -4.824435      5.254831
  H      -6.340958     -3.756872      2.500834
  H      -8.017323     -3.635702      3.023139
  H      -5.354835     -1.526223      5.626813
  H      -7.998489     -6.525829      6.065605
  H      -9.916194     -8.099085      5.824282
  H     -10.978066     -8.443563      3.573272
  H      -8.230101     -5.630779      1.845908
  H      -1.876228     -3.753342      6.447017
  H      -2.015999     -6.401185      7.970490
  H      -1.927025     -4.757498      8.664643
  H      -3.656215     -3.444845      8.932334
  H       0.028940     -3.837634      4.596193
  H       2.502815     -3.621260      4.557296
  H       3.865357     -4.479290      6.494160
  H       0.259384     -5.692065      8.494721
  N      -2.283218     -1.957028      5.486712
  N      -1.773320     -0.980051      5.511845
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.531856432372
  N      -3.001032     -4.032608      2.717345
  C      -2.625696     -5.008400      1.695210
  C      -2.119811     -6.276030      2.353828
  N      -3.118032     -6.736805      3.357062
  C      -4.285255     -7.382540      2.714337
  C      -5.483757     -7.103619      3.580931
  N      -5.485202     -5.672701      3.814920
  Mo     -3.725134     -4.845811      4.451118
  N      -2.039590     -5.485463      5.320655
  C      -1.568827     -6.861881      5.230289
  C      -2.516911     -7.654835      4.355170
  H      -1.527693     -7.331688      6.227701
  H      -0.536814     -6.877125      4.833590
  H      -3.339030     -8.055066      4.959513
  H      -2.005432     -8.487724      3.842709
  H      -6.396106     -7.425077      3.059778
  H      -5.444941     -7.678359      4.528934
  H      -4.437418     -6.934797      1.724589
  H      -4.092547     -8.460351      2.590144
  H      -1.823319     -4.629470      1.045714
  H      -3.486824     -5.233980      1.033030
  H      -1.184792     -6.055845      2.883230
  H      -1.925628     -7.074584      1.617833
  C      -2.992309     -2.622977      2.295620
  C      -4.226946     -2.300931      1.371232
  C      -4.206536     -0.928559      0.788897
  S      -4.074699     -0.568951     -0.809340
  C      -4.274398      0.222090      1.745846
  O      -4.277309      0.096511      2.960177
  C      -1.673444     -2.224772      1.634582
  C      -1.431783     -2.524568      0.281680
  C      -0.201087     -2.256349     -0.316034
  C       0.832202     -1.671501      0.417975
  C       0.564758     -1.337525      1.737716
  F       1.542450     -0.735000      2.471657
  C      -0.655492     -1.585474      2.357876
  C      -6.790055     -5.039668      4.174627
  C      -6.987444     -3.714295      3.406991
  C      -6.694563     -2.447442      4.168727
  S      -7.697693     -1.092020      4.004693
  C      -5.554122     -2.385592      4.981296
  O      -4.656986     -3.328182      4.968957
  C      -7.966393     -5.976663      3.980950
  C      -8.465030     -6.681510      5.082922
  C      -9.538094     -7.563762      4.938976
  C     -10.130646     -7.762926      3.690942
  C      -9.622202     -7.052937      2.607917
  F     -10.187243     -7.233587      1.383278
  C      -8.560852     -6.165684      2.724456
  C      -1.552353     -4.788420      6.498101
  C      -2.280775     -5.309311      7.797937
  C      -3.755726     -5.146708      7.645616
  S      -4.652854     -6.175194      6.625736
  C      -4.371375     -3.990237      8.278450
  O      -5.544675     -3.627720      8.161804
  C      -0.031410     -4.769697      6.524772
  C       0.628557     -4.186694      5.430064
  C       2.017900     -4.097778      5.401770
  C       2.781752     -4.601374      6.459754
  C       2.109801     -5.184376      7.525718
  F       2.834576     -5.685363      8.561759
  C       0.721249     -5.277222      7.586363
  H      -3.136784     -2.006625      3.187243
  H      -5.108062     -2.369342      2.022600
  H      -4.319043     -3.045034      0.570464
  H      -4.336889      1.217886      1.248717
  H      -2.225984     -2.958990     -0.324538
  H      -0.043042     -2.505909     -1.366179
  H       1.807026     -1.455808     -0.018740
  H      -0.773559     -1.210915      3.374161
  H      -6.770302     -4.834857      5.260703
  H      -6.353496     -3.762821      2.503431
  H      -8.019968     -3.635328      3.044173
  H      -5.351142     -1.533748      5.635127
  H      -8.004093     -6.529210      6.060984
  H      -9.921843     -8.099306      5.808533
  H     -10.971063     -8.442944      3.551516
  H      -8.207992     -5.636706      1.838099
  H      -1.865808     -3.740455      6.418088
  H      -2.002979     -6.357954      7.981045
  H      -1.916383     -4.700276      8.642518
  H      -3.665572     -3.410814      8.928951
  H       0.036565     -3.801274      4.597056
  H       2.514371     -3.622751      4.553905
  H       3.870166     -4.544244      6.465492
  H       0.254792     -5.742052      8.454833
  N      -2.286026     -1.916381      5.495290
  N      -1.782884     -0.936239      5.526000
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.532805588328
  N      -3.005849     -4.052463      2.716020
  C      -2.606586     -5.020021      1.697006
  C      -2.110858     -6.289273      2.360033
  N      -3.119549     -6.749705      3.353499
  C      -4.286158     -7.387066      2.700311
  C      -5.480985     -7.114496      3.577512
  N      -5.482420     -5.681057      3.808787
  Mo     -3.723486     -4.863328      4.443679
  N      -2.048211     -5.507797      5.306443
  C      -1.593037     -6.891289      5.243696
  C      -2.528469     -7.676729      4.348417
  H      -1.590864     -7.351774      6.246393
  H      -0.549375     -6.924199      4.880640
  H      -3.355684     -8.083399      4.940606
  H      -2.012301     -8.503942      3.832015
  H      -6.397127     -7.441610      3.067417
  H      -5.428061     -7.687135      4.525565
  H      -4.442256     -6.923233      1.719034
  H      -4.093299     -8.462829      2.558042
  H      -1.788214     -4.637116      1.068888
  H      -3.449649     -5.242229      1.010715
  H      -1.181200     -6.071537      2.899734
  H      -1.910555     -7.085948      1.623601
  C      -2.994768     -2.643547      2.302066
  C      -4.229568     -2.303950      1.378659
  C      -4.199162     -0.927761      0.808667
  S      -4.067237     -0.557529     -0.788157
  C      -4.253761      0.214337      1.773729
  O      -4.231272      0.077480      2.987031
  C      -1.675158     -2.246629      1.646093
  C      -1.420963     -2.550975      0.296598
  C      -0.187440     -2.274814     -0.291902
  C       0.834534     -1.675906      0.447205
  C       0.553219     -1.335287      1.762908
  F       1.516542     -0.714810      2.499402
  C      -0.670430     -1.592321      2.372499
  C      -6.783495     -5.042555      4.174923
  C      -6.985994     -3.718228      3.405607
  C      -6.673097     -2.450914      4.160029
  S      -7.661432     -1.085406      3.996231
  C      -5.535542     -2.395471      4.977780
  O      -4.642672     -3.341241      4.973024
  C      -7.965209     -5.974690      3.981482
  C      -8.462497     -6.675899      5.086272
  C      -9.541437     -7.551924      4.946876
  C     -10.139278     -7.748638      3.700949
  C      -9.630452     -7.043012      2.615090
  F     -10.201267     -7.221455      1.392930
  C      -8.563126     -6.162441      2.726454
  C      -1.559998     -4.790506      6.471172
  C      -2.278024     -5.289132      7.779687
  C      -3.752880     -5.135281      7.634001
  S      -4.651526     -6.173517      6.622506
  C      -4.377079     -3.982648      8.265562
  O      -5.556638     -3.638050      8.158518
  C      -0.040002     -4.761789      6.496061
  C       0.611204     -4.147579      5.413630
  C       1.999587     -4.042398      5.385738
  C       2.770162     -4.558897      6.432967
  C       2.106221     -5.170044      7.487990
  F       2.836801     -5.682794      8.514160
  C       0.719064     -5.280467      7.547134
  H      -3.142361     -2.031374      3.196133
  H      -5.105586     -2.366913      2.036477
  H      -4.335556     -3.043087      0.574870
  H      -4.286199      1.217052      1.288075
  H      -2.205451     -2.996155     -0.314422
  H      -0.018362     -2.528829     -1.339320
  H       1.810144     -1.451267      0.016505
  H      -0.800553     -1.217809      3.386939
  H      -6.756347     -4.835307      5.260560
  H      -6.367205     -3.775474      2.493525
  H      -8.022762     -3.634591      3.059865
  H      -5.340365     -1.544969      5.634999
  H      -7.996749     -6.527322      6.062595
  H      -9.924909     -8.085242      5.817872
  H     -10.984311     -8.423691      3.565120
  H      -8.209825     -5.636525      1.838311
  H      -1.877691     -3.745082      6.380821
  H      -1.994073     -6.333883      7.974150
  H      -1.908996     -4.663190      8.608858
  H      -3.677013     -3.395051      8.914894
  H       0.013477     -3.749664      4.590308
  H       2.489736     -3.541934      4.549109
  H       3.857846     -4.488918      6.439578
  H       0.259576     -5.763280      8.409708
  N      -2.289296     -1.891719      5.497814
  N      -1.789942     -0.910130      5.534598
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.533797379103
  N      -3.004229     -4.074455      2.712202
  C      -2.580079     -5.036543      1.699551
  C      -2.099949     -6.308313      2.368953
  N      -3.120983     -6.764849      3.351519
  C      -4.285940     -7.391668      2.683686
  C      -5.482764     -7.122011      3.561448
  N      -5.481203     -5.687602      3.797227
  Mo     -3.723693     -4.881948      4.435078
  N      -2.060362     -5.533569      5.296292
  C      -1.621648     -6.922866      5.263504
  C      -2.541852     -7.700879      4.344853
  H      -1.663525     -7.372800      6.270497
  H      -0.566256     -6.973917      4.939094
  H      -3.374826     -8.115225      4.922932
  H      -2.019141     -8.521481      3.825075
  H      -6.399997     -7.448825      3.053502
  H      -5.425865     -7.696162      4.507806
  H      -4.438185     -6.911950      1.709696
  H      -4.095167     -8.465625      2.525593
  H      -1.743037     -4.652669      1.096831
  H      -3.402114     -5.253969      0.986550
  H      -1.175496     -6.096193      2.919572
  H      -1.895994     -7.104780      1.633132
  C      -2.988736     -2.664946      2.306160
  C      -4.219179     -2.313175      1.376951
  C      -4.180573     -0.933592      0.818578
  S      -4.026638     -0.553965     -0.774796
  C      -4.238988      0.201279      1.789959
  O      -4.238284      0.053875      3.002564
  C      -1.668316     -2.258069      1.661401
  C      -1.399120     -2.553909      0.312847
  C      -0.163436     -2.260649     -0.262929
  C       0.844350     -1.651494      0.487551
  C       0.545846     -1.315008      1.800783
  F       1.491659     -0.679186      2.545867
  C      -0.681346     -1.588211      2.396262
  C      -6.777487     -5.044246      4.171074
  C      -6.990240     -3.720362      3.402615
  C      -6.660237     -2.453753      4.152594
  S      -7.636760     -1.081618      3.991598
  C      -5.517881     -2.397896      4.965350
  O      -4.629409     -3.347027      4.972168
  C      -7.961834     -5.976482      3.987779
  C      -8.453834     -6.667352      5.101368
  C      -9.536737     -7.540788      4.975117
  C     -10.142714     -7.744443      3.734258
  C      -9.638244     -7.048802      2.639839
  F     -10.217807     -7.234122      1.422883
  C      -8.567173     -6.171206      2.737559
  C      -1.571433     -4.790836      6.443014
  C      -2.283461     -5.261519      7.762875
  C      -3.758227     -5.116733      7.621922
  S      -4.659862     -6.165848      6.621152
  C      -4.390189     -3.969102      8.255229
  O      -5.569064     -3.625538      8.137973
  C      -0.051939     -4.757492      6.466236
  C       0.592569     -4.120419      5.393156
  C       1.980662     -4.010592      5.361539
  C       2.756700     -4.545925      6.395403
  C       2.099028     -5.179514      7.440998
  F       2.834675     -5.710834      8.453968
  C       0.712408     -5.294172      7.503927
  H      -3.145705     -2.058244      3.202303
  H      -5.095725     -2.376281      2.034152
  H      -4.327420     -3.047099      0.568729
  H      -4.275181      1.207985      1.313207
  H      -2.172558     -3.005100     -0.307894
  H       0.018344     -2.508706     -1.309675
  H       1.820418     -1.411564      0.066036
  H      -0.828518     -1.217304      3.409816
  H      -6.738382     -4.832467      5.255220
  H      -6.388918     -3.781429      2.479763
  H      -8.033206     -3.633566      3.079091
  H      -5.322717     -1.540732      5.613602
  H      -7.981857     -6.513873      6.073865
  H      -9.916794     -8.066644      5.852133
  H     -10.991089     -8.417316      3.608573
  H      -8.217673     -5.652403      1.843698
  H      -1.892422     -3.748207      6.333455
  H      -1.992179     -6.300641      7.975678
  H      -1.910886     -4.615316      8.573984
  H      -3.687635     -3.359024      8.880675
  H      -0.009755     -3.707401      4.580624
  H       2.466053     -3.490945      4.533890
  H       3.844242     -4.473023      6.399309
  H       0.258353     -5.792819      8.360470
  N      -2.291639     -1.858797      5.501197
  N      -1.794629     -0.876332      5.548283
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.534762379920
  N      -3.004595     -4.096265      2.709974
  C      -2.561154     -5.054379      1.702220
  C      -2.095791     -6.330093      2.375026
  N      -3.125475     -6.782493      3.350610
  C      -4.290741     -7.400013      2.673134
  C      -5.490124     -7.129862      3.548666
  N      -5.483586     -5.695598      3.789916
  Mo     -3.725760     -4.902121      4.429248
  N      -2.072166     -5.560478      5.287166
  C      -1.646807     -6.952930      5.280231
  C      -2.554236     -7.725671      4.342274
  H      -1.725597     -7.392919      6.289837
  H      -0.582822     -7.018500      4.988553
  H      -3.390804     -8.148147      4.909013
  H      -2.025274     -8.539710      3.818999
  H      -6.408117     -7.453366      3.040138
  H      -5.433784     -7.705917      4.493655
  H      -4.438199     -6.908551      1.704236
  H      -4.103554     -8.472795      2.504070
  H      -1.708739     -4.670151      1.121648
  H      -3.365484     -5.265697      0.967384
  H      -1.174354     -6.124812      2.933124
  H      -1.891817     -7.126734      1.639277
  C      -2.982275     -2.685662      2.311627
  C      -4.205623     -2.325667      1.372853
  C      -4.157881     -0.944268      0.821801
  S      -3.980836     -0.559565     -0.768404
  C      -4.224769      0.186680      1.796200
  O      -4.228512      0.033989      3.008360
  C      -1.658704     -2.269395      1.681181
  C      -1.370523     -2.561414      0.335667
  C      -0.131619     -2.252828     -0.225058
  C       0.859830     -1.631631      0.537425
  C       0.541631     -1.297533      1.846694
  F       1.470351     -0.649872      2.602509
  C      -0.690141     -1.584653      2.426353
  C      -6.774669     -5.046837      4.171453
  C      -6.991630     -3.722715      3.403508
  C      -6.646262     -2.456004      4.147382
  S      -7.606707     -1.075125      3.980401
  C      -5.501263     -2.401673      4.957980
  O      -4.617828     -3.354726      4.975590
  C      -7.962453     -5.976651      3.994850
  C      -8.451512     -6.662958      5.112585
  C      -9.538633     -7.532412      4.993306
  C     -10.150979     -7.736314      3.755660
  C      -9.648671     -7.045381      2.657247
  F     -10.234658     -7.231355      1.443451
  C      -8.573608     -6.171901      2.747744
  C      -1.582567     -4.790682      6.413497
  C      -2.284990     -5.238288      7.746083
  C      -3.761453     -5.103631      7.615195
  S      -4.669004     -6.160461      6.624668
  C      -4.398089     -3.963694      8.257536
  O      -5.585129     -3.640822      8.166260
  C      -0.063245     -4.744265      6.429738
  C       0.570216     -4.088607      5.361254
  C       1.957557     -3.969677      5.322512
  C       2.743157     -4.514894      6.343921
  C       2.096310     -5.167571      7.384343
  F       2.841353     -5.709296      8.384795
  C       0.710815     -5.291193      7.454567
  H      -3.148823     -2.083525      3.209224
  H      -5.086112     -2.389455      2.025218
  H      -4.310153     -3.056054      0.561067
  H      -4.249022      1.195897      1.324318
  H      -2.131138     -3.021058     -0.294778
  H       0.065634     -2.498198     -1.269629
  H       1.837771     -1.379611      0.127395
  H      -0.856359     -1.215583      3.437766
  H      -6.726646     -4.832370      5.254270
  H      -6.404475     -3.788300      2.471826
  H      -8.039165     -3.631296      3.097028
  H      -5.303739     -1.537967      5.596676
  H      -7.974595     -6.509618      6.082618
  H      -9.916930     -8.054950      5.873087
  H     -11.002758     -8.405871      3.635265
  H      -8.226101     -5.656113      1.851386
  H      -1.912595     -3.752751      6.282508
  H      -1.986444     -6.272135      7.974459
  H      -1.908521     -4.575074      8.541076
  H      -3.697763     -3.353370      8.885277
  H      -0.039481     -3.667669      4.558479
  H       2.434740     -3.434440      4.500117
  H       3.830269     -4.435392      6.342220
  H       0.265655     -5.803495      8.307762
  N      -2.297742     -1.819183      5.511609
  N      -1.804542     -0.835480      5.570189
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.535599065292
  N      -3.006042     -4.116819      2.709273
  C      -2.548071     -5.071087      1.704291
  C      -2.094115     -6.351094      2.377593
  N      -3.129099     -6.800645      3.349259
  C      -4.295495     -7.410445      2.665019
  C      -5.497957     -7.138799      3.536695
  N      -5.485771     -5.705389      3.785218
  Mo     -3.727542     -4.922777      4.425621
  N      -2.081122     -5.586885      5.279062
  C      -1.667111     -6.981001      5.294296
  C      -2.562229     -7.750070      4.338431
  H      -1.779083     -7.411918      6.305037
  H      -0.596390     -7.058774      5.032228
  H      -3.400901     -8.182860      4.894298
  H      -2.025822     -8.556264      3.811009
  H      -6.415861     -7.456550      3.024526
  H      -5.445844     -7.718356      4.479849
  H      -4.437578     -6.910340      1.699515
  H      -4.112014     -8.482441      2.488347
  H      -1.684302     -4.685321      1.141658
  H      -3.338755     -5.276077      0.952936
  H      -1.173902     -6.152682      2.940233
  H      -1.892525     -7.147666      1.641080
  C      -2.976707     -2.705191      2.318651
  C      -4.194059     -2.338593      1.371980
  C      -4.140848     -0.954308      0.829948
  S      -3.947107     -0.561422     -0.756593
  C      -4.213178      0.171414      1.809575
  O      -4.220697      0.011844      3.020986
  C      -1.648801     -2.283352      1.702355
  C      -1.340059     -2.577316      0.361825
  C      -0.097374     -2.256482     -0.183530
  C       0.877353     -1.622183      0.589805
  C       0.539585     -1.288709      1.894316
  F       1.453012     -0.632772      2.661409
  C      -0.697195     -1.586340      2.458115
  C      -6.772552     -5.050118      4.172085
  C      -6.988937     -3.725510      3.403667
  C      -6.631719     -2.458369      4.142169
  S      -7.575009     -1.069407      3.965544
  C      -5.486862     -2.407534      4.954511
  O      -4.608227     -3.364632      4.981220
  C      -7.965009     -5.974974      4.000452
  C      -8.453015     -6.658883      5.120106
  C      -9.545477     -7.522354      5.004862
  C     -10.163742     -7.722581      3.769575
  C      -9.662000     -7.034175      2.669342
  F     -10.253746     -7.216909      1.457765
  C      -8.581878     -6.166523      2.755703
  C      -1.592059     -4.790631      6.385451
  C      -2.283534     -5.218157      7.730459
  C      -3.762655     -5.095882      7.611978
  S      -4.674532     -6.159473      6.629829
  C      -4.403564     -3.964860      8.265251
  O      -5.594750     -3.653294      8.188356
  C      -0.072989     -4.726878      6.393006
  C       0.547401     -4.053116      5.328136
  C       1.933462     -3.921676      5.281464
  C       2.730532     -4.472378      6.290882
  C       2.096636     -5.143361      7.327598
  F       2.853081     -5.690972      8.316174
  C       0.712679     -5.279706      7.405733
  H      -3.150002     -2.107230      3.217994
  H      -5.078700     -2.407120      2.018860
  H      -4.292115     -3.064047      0.555123
  H      -4.237343      1.183244      1.343516
  H      -2.087317     -3.047291     -0.277003
  H       0.116190     -2.502523     -1.224720
  H       1.858046     -1.361685      0.191761
  H      -0.882246     -1.218439      3.466546
  H      -6.718260     -4.833081      5.253691
  H      -6.411857     -3.794176      2.465741
  H      -8.039497     -3.629403      3.108523
  H      -5.286049     -1.538227      5.585150
  H      -7.971454     -6.508493      6.088247
  H      -9.923387     -8.043072      5.885912
  H     -11.019723     -8.387328      3.652247
  H      -8.235257     -5.651809      1.858381
  H      -1.933747     -3.758479      6.232897
  H      -1.977101     -6.246303      7.974130
  H      -1.904984     -4.539428      8.510984
  H      -3.700747     -3.344669      8.880473
  H      -0.070657     -3.627094      4.534786
  H       2.400440     -3.371306      4.463102
  H       3.816896     -4.383318      6.282942
  H       0.278012     -5.805189      8.256337
  N      -2.304084     -1.783658      5.524039
  N      -1.814020     -0.799079      5.592275
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.536461300012
  N      -3.006383     -4.135201      2.708373
  C      -2.534874     -5.086980      1.706676
  C      -2.092771     -6.371398      2.380420
  N      -3.133747     -6.817849      3.347507
  C      -4.300644     -7.419895      2.655994
  C      -5.506762     -7.145977      3.522259
  N      -5.488683     -5.713867      3.778627
  Mo     -3.730489     -4.941206      4.420685
  N      -2.091964     -5.611286      5.270721
  C      -1.692328     -7.007116      5.310969
  C      -2.572956     -7.773035      4.335758
  H      -1.841338     -7.426333      6.322174
  H      -0.615455     -7.099303      5.081406
  H      -3.414956     -8.216520      4.878190
  H      -2.027378     -8.571327      3.806093
  H      -6.423992     -7.456686      3.004532
  H      -5.461418     -7.729615      4.463423
  H      -4.435612     -6.912739      1.692882
  H      -4.121363     -8.491477      2.473651
  H      -1.660547     -4.700486      1.161305
  H      -3.312742     -5.285520      0.940323
  H      -1.174113     -6.180044      2.948162
  H      -1.893381     -7.168124      1.643516
  C      -2.969914     -2.721947      2.324653
  C      -4.178795     -2.350139      1.367744
  C      -4.115738     -0.965133      0.829479
  S      -3.898926     -0.571166     -0.753975
  C      -4.191846      0.159938      1.809479
  O      -4.201819     -0.000623      3.020839
  C      -1.637757     -2.292336      1.724426
  C      -1.307594     -2.583408      0.388375
  C      -0.061007     -2.248582     -0.139450
  C       0.895989     -1.604021      0.647481
  C       0.536798     -1.273921      1.947083
  F       1.433049     -0.609920      2.727360
  C      -0.705239     -1.583388      2.492854
  C      -6.771460     -5.053800      4.172095
  C      -6.990525     -3.728904      3.404621
  C      -6.621808     -2.461088      4.137298
  S      -7.549743     -1.065211      3.951839
  C      -5.474281     -2.412091      4.947480
  O      -4.600140     -3.373031      4.982852
  C      -7.966424     -5.976946      4.009209
  C      -8.450026     -6.658187      5.132402
  C      -9.545290     -7.519072      5.024013
  C     -10.170599     -7.719422      3.792304
  C      -9.672954     -7.033805      2.688517
  F     -10.271407     -7.217013      1.480220
  C      -8.590424     -6.168517      2.768037
  C      -1.603516     -4.787240      6.355832
  C      -2.284687     -5.191695      7.713152
  C      -3.766886     -5.082609      7.608360
  S      -4.683770     -6.152090      6.634622
  C      -4.411312     -3.962272      8.275564
  O      -5.607741     -3.665874      8.220316
  C      -0.084732     -4.710223      6.354543
  C       0.525225     -4.021111      5.293661
  C       1.910536     -3.884879      5.237736
  C       2.717128     -4.446529      6.233339
  C       2.093568     -5.133454      7.265927
  F       2.859510     -5.692281      8.240789
  C       0.710592     -5.274579      7.353405
  H      -3.150924     -2.128058      3.225387
  H      -5.069228     -2.420096      2.006784
  H      -4.268884     -3.073016      0.547798
  H      -4.212463      1.172233      1.344439
  H      -2.041235     -3.060385     -0.261028
  H       0.169637     -2.491352     -1.177747
  H       1.879382     -1.333431      0.263039
  H      -0.911131     -1.216925      3.497563
  H      -6.709386     -4.834056      5.252400
  H      -6.425608     -3.798794      2.459279
  H      -8.044571     -3.629512      3.122622
  H      -5.267501     -1.536287      5.567489
  H      -7.963119     -6.507376      6.097777
  H      -9.920093     -8.037549      5.907719
  H     -11.028862     -8.382142      3.680282
  H      -8.247522     -5.655376      1.868409
  H      -1.955337     -3.761411      6.177743
  H      -1.969539     -6.212740      7.975632
  H      -1.905155     -4.496510      8.478503
  H      -3.706828     -3.336815      8.883601
  H      -0.099232     -3.586403      4.510471
  H       2.369374     -3.321838      4.423228
  H       3.803131     -4.353998      6.218001
  H       0.284423     -5.812808      8.200343
  N      -2.314520     -1.740798      5.540462
  N      -1.827981     -0.755224      5.619246
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7533.220924750480
  N      -3.006271     -4.153265      2.707962
  C      -2.524742     -5.102996      1.708371
  C      -2.092203     -6.391544      2.381616
  N      -3.137406     -6.835743      3.345802
  C      -4.305358     -7.431275      2.649207
  C      -5.514714     -7.154238      3.510421
  N      -5.490596     -5.723456      3.774016
  Mo     -3.732043     -4.959635      4.416429
  N      -2.100023     -5.634611      5.262189
  C      -1.715694     -7.031714      5.327418
  C      -2.581279     -7.795461      4.333652
  H      -1.901603     -7.437736      6.338213
  H      -0.634001     -7.138399      5.129792
  H      -3.426214     -8.250125      4.862289
  H      -2.025632     -8.585757      3.802769
  H      -6.431058     -7.457449      2.986614
  H      -5.477142     -7.742023      4.449519
  H      -4.433715     -6.919505      1.687418
  H      -4.130395     -8.502852      2.463427
  H      -1.642436     -4.715765      1.176540
  H      -3.292989     -5.295536      0.930896
  H      -1.174379     -6.206594      2.952885
  H      -1.895625     -7.188182      1.643909
  C      -2.963870     -2.738631      2.331400
  C      -4.166080     -2.361949      1.367028
  C      -4.097234     -0.975002      0.834762
  S      -3.865276     -0.576216     -0.745399
  C      -4.179642      0.147607      1.817214
  O      -4.188440     -0.015795      3.028242
  C      -1.627298     -2.303786      1.746241
  C      -1.275439     -2.595942      0.416045
  C      -0.024660     -2.249894     -0.094448
  C       0.914618     -1.594183      0.704610
  C       0.534320     -1.265031      1.998399
  F       1.414191     -0.593526      2.790881
  C      -0.712919     -1.584056      2.526630
  C      -6.769657     -5.056967      4.171361
  C      -6.987908     -3.731737      3.404015
  C      -6.609040     -2.463233      4.131470
  S      -7.521668     -1.060836      3.936539
  C      -5.460745     -2.417841      4.942007
  O      -4.591537     -3.383138      4.984240
  C      -7.968072     -5.976541      4.014703
  C      -8.449240     -6.656259      5.139870
  C      -9.547969     -7.513271      5.035848
  C     -10.179149     -7.711373      3.806761
  C      -9.683750     -7.027392      2.700985
  F     -10.287699     -7.208683      1.495047
  C      -8.598042     -6.165737      2.776142
  C      -1.613093     -4.783472      6.326467
  C      -2.283017     -5.165589      7.695374
  C      -3.768561     -5.070178      7.606551
  S      -4.690269     -6.144558      6.640517
  C      -4.415630     -3.962056      8.290470
  O      -5.616539     -3.680000      8.257219
  C      -0.094965     -4.692016      6.315684
  C       0.503742     -3.988982      5.257865
  C       1.888039     -3.846013      5.192744
  C       2.704726     -4.414936      6.175781
  C       2.092240     -5.116307      7.205370
  F       2.868215     -5.682401      8.168009
  C       0.710592     -5.264464      7.301891
  H      -3.150178     -2.149439      3.234337
  H      -5.061459     -2.436128      1.998960
  H      -4.247992     -3.080952      0.542884
  H      -4.204002      1.160844      1.354516
  H      -1.995425     -3.081022     -0.242635
  H       0.223320     -2.492227     -1.128837
  H       1.901011     -1.315807      0.333625
  H      -0.939203     -1.217342      3.526641
  H      -6.701968     -4.834684      5.250529
  H      -6.432683     -3.802672      2.452922
  H      -8.044271     -3.628475      3.131685
  H      -5.247776     -1.537670      5.553947
  H      -7.957804     -6.506816      6.103152
  H      -9.921122     -8.030395      5.921054
  H     -11.040173     -8.371079      3.698189
  H      -8.257323     -5.653289      1.875292
  H      -1.975898     -3.764876      6.123145
  H      -1.958824     -6.179204      7.975984
  H      -1.902801     -4.455057      8.446203
  H      -3.708499     -3.330418      8.889051
  H      -0.127510     -3.548355      4.483754
  H       2.337967     -3.271521      4.381150
  H       3.790144     -4.317125      6.153200
  H       0.293394     -5.813851      8.146134
  N      -2.326130     -1.697068      5.559546
  N      -1.843583     -0.710348      5.647246
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.537869669998
  N      -3.003404     -4.170657      2.705725
  C      -2.510543     -5.118133      1.708789
  C      -2.088918     -6.411000      2.381956
  N      -3.139541     -6.852702      3.342081
  C      -4.307677     -7.441383      2.638610
  C      -5.521593     -7.160948      3.492664
  N      -5.491292     -5.731867      3.765060
  Mo     -3.733261     -4.977186      4.409411
  N      -2.109384     -5.657599      5.253352
  C      -1.741680     -7.055591      5.344450
  C      -2.589290     -7.817236      4.329905
  H      -1.967907     -7.447572      6.352902
  H      -0.655800     -7.177125      5.182584
  H      -3.437409     -8.284350      4.842579
  H      -2.021890     -8.598516      3.798428
  H      -6.436227     -7.455600      2.960939
  H      -5.493871     -7.753647      4.429213
  H      -4.427633     -6.924896      1.678025
  H      -4.137052     -8.512939      2.449589
  H      -1.619591     -4.730167      1.192122
  H      -3.267785     -5.304280      0.919098
  H      -1.172551     -6.232883      2.957781
  H      -1.894718     -7.207712      1.643755
  C      -2.955671     -2.754624      2.336868
  C      -4.151342     -2.373615      1.365044
  C      -4.078627     -0.983955      0.840689
  S      -3.832144     -0.578067     -0.735529
  C      -4.169140      0.134899      1.826839
  O      -4.176066     -0.032606      3.037361
  C      -1.614993     -2.313468      1.767897
  C      -1.240322     -2.605446      0.443999
  C       0.014355     -2.246720     -0.047924
  C       0.934566     -1.580062      0.764222
  C       0.532208     -1.253607      2.051978
  F       1.394523     -0.575131      2.857804
  C      -0.720115     -1.583338      2.561335
  C      -6.766507     -5.059785      4.167919
  C      -6.986806     -3.734871      3.400604
  C      -6.597852     -2.465429      4.122249
  S      -7.496877     -1.057809      3.919476
  C      -5.447392     -2.422333      4.931252
  O      -4.582928     -3.391640      4.981549
  C      -7.967704     -5.977424      4.022940
  C      -8.442306     -6.653781      5.152939
  C      -9.544101     -7.507953      5.058551
  C     -10.185072     -7.706517      3.834617
  C      -9.696162     -7.025800      2.723982
  F     -10.309566     -7.207723      1.522828
  C      -8.607747     -6.166804      2.789549
  C      -1.625247     -4.779782      6.296932
  C      -2.287782     -5.136878      7.675469
  C      -3.773428     -5.054217      7.599157
  S      -4.699541     -6.134507      6.642045
  C      -4.423243     -3.958129      8.298414
  O      -5.628027     -3.690386      8.285653
  C      -0.107907     -4.676004      6.278342
  C       0.481006     -3.959471      5.224402
  C       1.864425     -3.812623      5.149854
  C       2.690098     -4.391715      6.119208
  C       2.087338     -5.107300      7.144929
  F       2.872301     -5.683527      8.094150
  C       0.706726     -5.259311      7.250880
  H      -3.148020     -2.170644      3.242137
  H      -5.051737     -2.454382      1.989359
  H      -4.223444     -3.087715      0.535798
  H      -4.199312      1.149488      1.367584
  H      -1.945596     -3.098574     -0.224615
  H       0.280486     -2.487280     -1.078195
  H       1.923749     -1.292878      0.407656
  H      -0.968253     -1.217174      3.556341
  H      -6.690587     -4.833487      5.245391
  H      -6.443007     -3.806120      2.442814
  H      -8.046087     -3.628831      3.140184
  H      -5.227582     -1.536668      5.533091
  H      -7.943408     -6.503351      6.112213
  H      -9.912319     -8.022257      5.947469
  H     -11.048703     -8.364004      3.733608
  H      -8.272810     -5.656231      1.885483
  H      -1.997483     -3.768971      6.066481
  H      -1.954781     -6.141825      7.976695
  H      -1.908008     -4.410203      8.410867
  H      -3.714291     -3.319929      8.887814
  H      -0.156102     -3.510940      4.459996
  H       2.306362     -3.226887      4.341695
  H       3.775076     -4.291050      6.089218
  H       0.297535     -5.820103      8.091524
  N      -2.337948     -1.652579      5.576264
  N      -1.858675     -0.665171      5.673204
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.538263548762
  N      -3.004707     -4.165322      2.697899
  C      -2.510698     -5.111910      1.700122
  C      -2.086938     -6.405180      2.370759
  N      -3.135535     -6.848221      3.332692
  C      -4.301827     -7.438325      2.625763
  C      -5.522323     -7.155789      3.467880
  N      -5.489122     -5.729797      3.753020
  Mo     -3.736608     -4.973023      4.401035
  N      -2.111581     -5.654569      5.248067
  C      -1.747150     -7.051453      5.344756
  C      -2.581643     -7.813954      4.317938
  H      -1.993387     -7.439954      6.350293
  H      -0.659422     -7.175628      5.199859
  H      -3.428244     -8.296273      4.819371
  H      -2.002462     -8.584402      3.783548
  H      -6.432146     -7.440306      2.922149
  H      -5.510219     -7.756424      4.399933
  H      -4.413168     -6.924957      1.662277
  H      -4.131575     -8.510540      2.441316
  H      -1.621033     -4.720603      1.184067
  H      -3.268428     -5.297741      0.910952
  H      -1.169109     -6.228940      2.944897
  H      -1.896528     -7.202376      1.632164
  C      -2.953998     -2.748265      2.329294
  C      -4.146155     -2.371890      1.352607
  C      -4.075188     -0.980925      0.831062
  S      -3.821810     -0.572979     -0.743420
  C      -4.163306      0.137583      1.818359
  O      -4.161403     -0.029678      3.028898
  C      -1.612051     -2.299926      1.768908
  C      -1.224637     -2.584701      0.447326
  C       0.030354     -2.211495     -0.033229
  C       0.937266     -1.538030      0.788122
  C       0.522720     -1.221274      2.074272
  F       1.371220     -0.534919      2.888402
  C      -0.730267     -1.564837      2.572518
  C      -6.765315     -5.059841      4.160072
  C      -6.998277     -3.740234      3.388491
  C      -6.614745     -2.466273      4.106442
  S      -7.518611     -1.065605      3.903404
  C      -5.459542     -2.415915      4.909946
  O      -4.591996     -3.382708      4.966369
  C      -7.961955     -5.985847      4.037866
  C      -8.418845     -6.658358      5.177453
  C      -9.516624     -7.519352      5.101561
  C     -10.172029     -7.728562      3.887091
  C      -9.701380     -7.050982      2.766817
  F     -10.328861     -7.242940      1.574412
  C      -8.617516     -6.185087      2.814177
  C      -1.629551     -4.769006      6.286321
  C      -2.296300     -5.107520      7.667161
  C      -3.782234     -5.032699      7.592512
  S      -4.704060     -6.117332      6.635866
  C      -4.436864     -3.943488      8.296647
  O      -5.644230     -3.685862      8.293321
  C      -0.110732     -4.680654      6.276719
  C       0.501023     -4.007122      5.208003
  C       1.888487     -3.897777      5.136978
  C       2.694737     -4.467812      6.127327
  C       2.069409     -5.140105      7.168510
  F       2.835380     -5.708890      8.137529
  C       0.685253     -5.257827      7.268844
  H      -3.149840     -2.165182      3.234388
  H      -5.050484     -2.461452      1.970471
  H      -4.206347     -3.083214      0.520153
  H      -4.197685      1.151884      1.358878
  H      -1.920455     -3.081043     -0.228816
  H       0.306586     -2.444085     -1.062626
  H       1.925723     -1.239075      0.439457
  H      -0.993364     -1.205781      3.564243
  H      -6.679374     -4.823457      5.234233
  H      -6.460139     -3.805403      2.426716
  H      -8.060504     -3.642841      3.134719
  H      -5.235821     -1.522534      5.499527
  H      -7.908741     -6.498679      6.129273
  H      -9.870897     -8.030335      5.998016
  H     -11.032965     -8.391577      3.800647
  H      -8.298062     -5.676657      1.903338
  H      -1.994602     -3.757836      6.038946
  H      -1.960458     -6.106385      7.986184
  H      -1.920169     -4.371585      8.395238
  H      -3.729497     -3.302739      8.885197
  H      -0.119371     -3.569383      4.424305
  H       2.349295     -3.351169      4.312315
  H       3.781965     -4.394674      6.100530
  H       0.258252     -5.788853      8.119799
  N      -2.353654     -1.635040      5.572128
  N      -1.873943     -0.647303      5.666590
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -7534.538773904308
  N      -3.007116     -4.165010      2.693755
  C      -2.518838     -5.111289      1.691498
  C      -2.091023     -6.406048      2.355533
  N      -3.135493     -6.852012      3.320521
  C      -4.302726     -7.441804      2.613392
  C      -5.529543     -7.153845      3.442478
  N      -5.487794     -5.733709      3.749438
  Mo     -3.738683     -4.976968      4.396584
  N      -2.109464     -5.661321      5.240886
  C      -1.755300     -7.057893      5.345359
  C      -2.575449     -7.819632      4.302445
  H      -2.028194     -7.439985      6.347480
  H      -0.666496     -7.190080      5.220202
  H      -3.420018     -8.322746      4.787434
  H      -1.980592     -8.575534      3.764585
  H      -6.433273     -7.417529      2.875868
  H      -5.543651     -7.769312      4.365272
  H      -4.402876     -6.936486      1.644170
  H      -4.136911     -8.516162      2.438503
  H      -1.634786     -4.716953      1.169250
  H      -3.284454     -5.296235      0.910058
  H      -1.170364     -6.233499      2.926628
  H      -1.906417     -7.202809      1.615194
  C      -2.951421     -2.746608      2.326005
  C      -4.135558     -2.378316      1.340222
  C      -4.063275     -0.989374      0.811277
  S      -3.798434     -0.591220     -0.763265
  C      -4.164007      0.138412      1.788467
  O      -4.153179     -0.014382      3.000625
  C      -1.604614     -2.294822      1.778513
  C      -1.199994     -2.573363      0.461189
  C       0.056693     -2.185511     -0.003366
  C       0.945350     -1.501719      0.829065
  C       0.513933     -1.193662      2.111575
  F       1.343320     -0.493666      2.933977
  C      -0.738991     -1.555713      2.596404
  C      -6.764747     -5.061057      4.157106
  C      -6.997239     -3.746473      3.378765
  C      -6.620743     -2.467361      4.092940
  S      -7.524115     -1.071147      3.882496
  C      -5.467484     -2.417732      4.900499
  O      -4.598578     -3.383698      4.958820
  C      -7.961722     -5.987502      4.052148
  C      -8.404838     -6.663547      5.195144
  C      -9.502891     -7.524653      5.130544
  C     -10.173487     -7.731622      3.924060
  C      -9.717065     -7.051009      2.799918
  F     -10.358480     -7.240635      1.614457
  C      -8.633314     -6.184521      2.836608
  C      -1.631589     -4.764459      6.273047
  C      -2.296268     -5.087677      7.655354
  C      -3.781339     -5.020480      7.594855
  S      -4.705111     -6.100701      6.637033
  C      -4.436236     -3.953892      8.330456
  O      -5.647126     -3.712953      8.358218
  C      -0.112152     -4.680903      6.263660
  C       0.510287     -4.050698      5.175779
  C       1.899140     -3.958370      5.106761
  C       2.696580     -4.499795      6.119432
  C       2.060553     -5.126444      7.182693
  F       2.817660     -5.664144      8.176113
  C       0.675159     -5.228255      7.280527
  H      -3.149350     -2.164900      3.231354
  H      -5.047914     -2.474144      1.945776
  H      -4.178020     -3.090810      0.507766
  H      -4.212882      1.146470      1.316753
  H      -1.884289     -3.072411     -0.224643
  H       0.347518     -2.411065     -1.030267
  H       1.933084     -1.189113      0.490770
  H      -1.022626     -1.206773      3.583672
  H      -6.674041     -4.816431      5.228697
  H      -6.458038     -3.805851      2.416630
  H      -8.059566     -3.654698      3.120286
  H      -5.239179     -1.521282      5.484532
  H      -7.882850     -6.504302      6.140600
  H      -9.846007     -8.037202      6.030410
  H     -11.034960     -8.394959      3.846839
  H      -8.326548     -5.673228      1.923046
  H      -1.994737     -3.755200      6.006946
  H      -1.958015     -6.082034      7.987856
  H      -1.920347     -4.348009      8.380126
  H      -3.724438     -3.312352      8.912655
  H      -0.101752     -3.632302      4.374564
  H       2.368444     -3.449126      4.263497
  H       3.784479     -4.437817      6.094007
  H       0.239771     -5.723501      8.148114
  N      -2.364036     -1.614262      5.586928
  N      -1.879955     -0.627385      5.676000
88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca E -6904.412701859264
  N      -3.007480     -4.162051      2.692456
  C      -2.522912     -5.109915      1.689056
  C      -2.093371     -6.404432      2.351890
  N      -3.139054     -6.851946      3.314908
  C      -4.305748     -7.441768      2.607412
  C      -5.535269     -7.149952      3.430470
  N      -5.487356     -5.733666      3.749831
  Mo     -3.740874     -4.974979      4.394359
  N      -2.108674     -5.660558      5.236527
  C      -1.771064     -7.059224      5.353111
  C      -2.580617     -7.819417      4.299297
  H      -2.065918     -7.432615      6.352870
  H      -0.682302     -7.204225      5.244223
  H      -3.426576     -8.332595      4.771369
  H      -1.974982     -8.568544      3.763867
  H      -6.435328     -7.399014      2.850794
  H      -5.567302     -7.775138      4.346321
  H      -4.399134     -6.945460      1.632977
  H      -4.143359     -8.518252      2.441966
  H      -1.643326     -4.715147      1.160153
  H      -3.295033     -5.297305      0.914673
  H      -1.173730     -6.232654      2.924971
  H      -1.907326     -7.201046      1.611786
  C      -2.951983     -2.743665      2.320426
  C      -4.127685     -2.384702      1.325058
  C      -4.056523     -0.997925      0.788847
  S      -3.779582     -0.606899     -0.784980
  C      -4.152930      0.134927      1.761401
  O      -4.125101     -0.010430      2.973987
  C      -1.601078     -2.290310      1.782848
  C      -1.183739     -2.566143      0.469292
  C       0.074800     -2.169723      0.016747
  C       0.949577     -1.477192      0.856450
  C       0.504619     -1.171559      2.134928
  F       1.320414     -0.462131      2.962606
  C      -0.747424     -1.548125      2.610328
  C      -6.766212     -5.060331      4.154157
  C      -6.998294     -3.748205      3.373853
  C      -6.628371     -2.466725      4.088713
  S      -7.533731     -1.073367      3.875445
  C      -5.474633     -2.418184      4.896039
  O      -4.604625     -3.383521      4.950415
  C      -7.961641     -5.989360      4.056154
  C      -8.395149     -6.670265      5.200093
  C      -9.490935     -7.534180      5.140969
  C     -10.170034     -7.739837      3.939025
  C      -9.723669     -7.054841      2.813539
  F     -10.372730     -7.242884      1.632051
  C      -8.642233     -6.185317      2.845185
  C      -1.632358     -4.758768      6.267451
  C      -2.294204     -5.075325      7.647773
  C      -3.778536     -5.008718      7.601875
  S      -4.709841     -6.075941      6.639106
  C      -4.429154     -3.965393      8.372634
  O      -5.641900     -3.738235      8.431510
  C      -0.112403     -4.681783      6.254150
  C       0.512103     -4.076433      5.154094
  C       1.901277     -3.992879      5.082355
  C       2.697558     -4.520077      6.103219
  C       2.059117     -5.121838      7.179669
  F       2.814760     -5.644545      8.182159
  C       0.673436     -5.212839      7.281413
  H      -3.153858     -2.161075      3.224520
  H      -5.046432     -2.482837      1.919982
  H      -4.156442     -3.100411      0.494674
  H      -4.213118      1.139526      1.283400
  H      -1.859368     -3.067461     -0.223293
  H       0.377693     -2.393899     -1.006984
  H       1.937275     -1.156228      0.526046
  H      -1.045183     -1.208923      3.595491
  H      -6.675652     -4.813928      5.225281
  H      -6.456642     -3.802366      2.412967
  H      -8.059180     -3.660181      3.108522
  H      -5.242869     -1.522935      5.480204
  H      -7.867014     -6.510592      6.142190
  H      -9.826041     -8.049527      6.042231
  H     -11.030188     -8.405369      3.866595
  H      -8.344521     -5.670720      1.930508
  H      -1.991754     -3.749804      5.992558
  H      -1.954548     -6.068418      7.984451
  H      -1.914984     -4.337941      8.373527
  H      -3.711815     -3.329753      8.954539
  H      -0.098461     -3.665444      4.347621
  H       2.372306     -3.502730      4.228942
  H       3.785704     -4.465077      6.074606
  H       0.236416     -5.689000      8.158555
  N      -2.368789     -1.597397      5.606559
  N      -1.877797     -0.613158      5.687606
