105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.497984692216
  N      -2.970161     -3.716901      2.299306
  C      -2.543984     -4.803687      1.425481
  C      -2.254791     -6.071003      2.227087
  N      -3.382312     -6.402248      3.100003
  C      -4.510762     -7.009947      2.396755
  C      -5.848975     -6.772472      3.148599
  N      -5.913406     -5.491839      3.845796
  Mo     -4.130175     -4.545763      3.866857
  N      -2.949069     -5.014569      5.375636
  C      -2.277310     -6.309173      5.318872
  C      -2.932791     -7.205197      4.245426
  H      -2.345075     -6.833442      6.281672
  H      -1.208729     -6.179941      5.095045
  H      -3.825979     -7.674078      4.671048
  H      -2.239545     -7.997811      3.940173
  H      -6.665596     -6.852304      2.402541
  H      -6.009892     -7.604548      3.858351
  H      -4.588037     -6.533917      1.413868
  H      -4.372569     -8.086777      2.238955
  H      -1.636353     -4.534427      0.869939
  H      -3.329656     -5.015910      0.673908
  H      -1.405542     -5.851163      2.876266
  H      -1.999153     -6.896496      1.553179
  C      -3.866879     -1.014554     -0.275229
  C      -3.369251     -2.377627      0.191548
  C      -3.832788     -2.759215      1.621179
  C      -5.237750     -3.384932      1.754078
  N      -6.281372     -2.562450      2.307301
  C      -6.627337     -1.304808      1.709714
  C      -7.351806     -1.217432      0.515956
  C      -7.732122      0.011172     -0.001316
  C      -7.410159      1.181342      0.657644
  C      -6.696629      1.116540      1.853065
  S      -6.252993      2.550830      2.756138
  C      -6.301359     -0.118150      2.372482
  C      -9.303732     -5.838955      5.756322
  C      -8.103939     -6.303040      4.930284
  C      -7.103321     -5.183816      4.663559
  C      -7.629610     -3.870779      4.172709
  N      -7.415803     -2.939748      5.285525
  C      -7.602941     -1.564275      5.241982
  C      -8.536277     -0.925080      4.410649
  C      -8.811769      0.425232      4.546236
  C      -8.157344      1.195056      5.486243
  C      -7.192245      0.596773      6.297164
  S      -6.284893      1.506757      7.489745
  C      -6.915602     -0.760852      6.169186
  C      -1.269135     -5.354239      8.442045
  C      -1.408985     -4.308800      7.335835
  C      -2.756717     -4.194896      6.560923
  C      -3.984552     -4.345333      7.516721
  N      -5.233030     -4.499513      6.754143
  C      -6.028304     -5.573254      7.308624
  C      -5.692831     -6.914187      7.111127
  C      -6.359918     -7.914488      7.809032
  C      -7.362058     -7.605565      8.705828
  C      -7.731378     -6.271448      8.900080
  S      -8.988290     -5.784155      9.998837
  C      -7.059694     -5.270049      8.192114
  H      -3.470850     -0.798756     -1.262073
  H      -3.542889     -0.235077      0.413061
  H      -4.954903     -0.996556     -0.320630
  H      -2.277566     -2.367168      0.195361
  H      -3.698291     -3.141185     -0.517823
  H      -3.778153     -1.812525      2.197737
  H      -5.577851     -3.855555      0.791437
  H      -5.003819     -4.193489      2.489458
  H      -5.862654     -2.305945      3.193095
  H      -7.603199     -2.144379      0.014680
  H      -8.283219      0.048482     -0.927581
  H      -7.708398      2.134098      0.248604
  H      -6.763102      3.454718      1.912821
  H      -5.726852     -0.136365      3.307347
  H      -9.923133     -6.684916      6.031900
  H      -9.911658     -5.137757      5.188433
  H      -8.966682     -5.328647      6.657265
  H      -8.486590     -6.721469      3.989331
  H      -7.607798     -7.121187      5.464031
  H      -6.624238     -4.856555      5.570694
  H      -8.642179     -3.822994      3.716604
  H      -6.802775     -3.644815      3.505013
  H      -6.491596     -3.290242      5.442333
  H      -9.055867     -1.526490      3.668765
  H      -9.556685      0.873943      3.909150
  H      -8.392701      2.241241      5.593585
  H      -6.950321      2.660776      7.388358
  H      -6.179682     -1.232966      6.831533
  H      -1.476652     -6.361363      8.094545
  H      -1.924162     -5.125237      9.277529
  H      -0.244331     -5.323743      8.800702
  H      -1.238623     -3.327138      7.782129
  H      -0.630413     -4.454021      6.583833
  H      -2.782251     -3.140908      6.192758
  H      -3.830768     -5.216818      8.161277
  H      -4.047416     -3.458970      8.169253
  H      -4.756372     -4.823654      5.876729
  H      -4.881639     -7.151654      6.428195
  H      -6.073534     -8.944148      7.663437
  H      -7.847192     -8.391766      9.263341
  H      -9.244604     -6.988894     10.522958
  H      -7.305478     -4.220544      8.343146
  N      -5.022436     -3.071565      5.118860
  N      -5.545867     -2.206749      5.853330
  H      -4.980755     -1.637751      6.483773
  H      -6.553051     -2.045355      5.843192
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.601747805784
  N      -2.973068     -3.716510      2.317602
  C      -2.563393     -4.804531      1.430616
  C      -2.278286     -6.077365      2.222982
  N      -3.404571     -6.405874      3.108264
  C      -4.546386     -7.005389      2.411888
  C      -5.875173     -6.767384      3.173972
  N      -5.930298     -5.488239      3.876709
  Mo     -4.127271     -4.543250      3.890746
  N      -2.935473     -5.033902      5.390279
  C      -2.276742     -6.336389      5.317678
  C      -2.950551     -7.219642      4.248397
  H      -2.340401     -6.867202      6.278007
  H      -1.207946     -6.215061      5.084809
  H      -3.844269     -7.683515      4.680669
  H      -2.267027     -8.017517      3.930863
  H      -6.694818     -6.841646      2.431446
  H      -6.036676     -7.601021      3.882138
  H      -4.628133     -6.525033      1.430802
  H      -4.413544     -8.083428      2.249204
  H      -1.655978     -4.541716      0.868694
  H      -3.355978     -5.005377      0.683122
  H      -1.420162     -5.867961      2.867006
  H      -2.034997     -6.903662      1.543159
  C      -3.837313     -0.991467     -0.244447
  C      -3.358952     -2.364292      0.218378
  C      -3.826990     -2.743384      1.646210
  C      -5.242544     -3.347486      1.776813
  N      -6.277924     -2.502586      2.324628
  C      -6.606842     -1.245257      1.720530
  C      -7.314802     -1.169558      0.514806
  C      -7.684826      0.056951     -0.019307
  C      -7.369428      1.235678      0.635446
  C      -6.673787      1.179977      1.844675
  S      -6.241394      2.622154      2.745615
  C      -6.289080     -0.052801      2.380416
  C      -9.338085     -5.858982      5.799241
  C      -8.133430     -6.313833      4.968622
  C      -7.136349     -5.191118      4.699174
  C      -7.678316     -3.872769      4.193713
  N      -7.465984     -2.915280      5.287474
  C      -7.657053     -1.525635      5.203953
  C      -8.595110     -0.923136      4.345907
  C      -8.893434      0.426356      4.416831
  C      -8.265053      1.252685      5.325714
  C      -7.300485      0.708182      6.171553
  S      -6.423190      1.687459      7.333831
  C      -6.987882     -0.650405      6.113233
  C      -1.203395     -5.445201      8.417665
  C      -1.353782     -4.374067      7.336149
  C      -2.713294     -4.234603      6.590296
  C      -3.921570     -4.404216      7.570724
  N      -5.187190     -4.544091      6.828873
  C      -5.973849     -5.630692      7.362606
  C      -5.646459     -6.969119      7.123613
  C      -6.317042     -7.984889      7.798674
  C      -7.316443     -7.691374      8.709625
  C      -7.673643     -6.357417      8.939570
  S      -8.928894     -5.878948     10.045586
  C      -6.996192     -5.342694      8.259503
  H      -3.437500     -0.776993     -1.233378
  H      -3.501508     -0.216549      0.447039
  H      -4.926646     -0.955221     -0.290606
  H      -2.265232     -2.370113      0.221916
  H      -3.699265     -3.122456     -0.494522
  H      -3.760251     -1.801513      2.227480
  H      -5.592882     -3.809008      0.818831
  H      -5.017689     -4.170258      2.505402
  H      -5.866972     -2.243831      3.218577
  H      -7.561752     -2.101434      0.015953
  H      -8.223529      0.087500     -0.956534
  H      -7.660389      2.187865      0.212683
  H      -6.737504      3.520448      1.883922
  H      -5.734572     -0.064307      3.325362
  H      -9.952136     -6.713373      6.072464
  H      -9.954118     -5.159042      5.233490
  H      -9.008009     -5.348858      6.709159
  H      -8.511675     -6.733397      4.025264
  H      -7.633551     -7.130148      5.503124
  H      -6.661550     -4.867370      5.609990
  H      -8.686309     -3.837014      3.734669
  H      -6.858968     -3.652943      3.525171
  H      -6.544115     -3.270145      5.452471
  H      -9.103011     -1.560405      3.625426
  H      -9.642205      0.832143      3.751070
  H      -8.521505      2.300840      5.382725
  H      -7.112746      2.823300      7.170461
  H      -6.257702     -1.041066      6.813849
  H      -1.425813     -6.445829      8.052144
  H      -1.843185     -5.230125      9.271916
  H      -0.170030     -5.432353      8.761246
  H      -1.167299     -3.401478      7.799977
  H      -0.587991     -4.509053      6.566422
  H      -2.735627     -3.176743      6.244149
  H      -3.751925     -5.292946      8.189265
  H      -3.970384     -3.535153      8.248040
  H      -4.732876     -4.838615      5.927627
  H      -4.841457     -7.193459      6.427570
  H      -6.039218     -9.015415      7.622661
  H      -7.809456     -8.489820      9.247980
  H      -9.200688     -7.095164     10.540884
  H      -7.236353     -4.295156      8.438340
  N      -4.976577     -3.049250      5.124307
  N      -5.483234     -2.150798      5.849953
  H      -4.895913     -1.577978      6.463144
  H      -6.569408     -1.983454      5.831685
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.673787107958
  N      -2.987001     -3.703100      2.343415
  C      -2.587906     -4.789271      1.440163
  C      -2.304498     -6.067135      2.219991
  N      -3.431418     -6.399431      3.115827
  C      -4.584705     -6.995779      2.423366
  C      -5.903053     -6.766390      3.197430
  N      -5.949757     -5.489391      3.906222
  Mo     -4.135716     -4.532992      3.916834
  N      -2.933786     -5.045683      5.407073
  C      -2.284502     -6.354741      5.317065
  C      -2.971947     -7.225212      4.250978
  H      -2.343649     -6.893834      6.274015
  H      -1.215380     -6.237228      5.076949
  H      -3.865552     -7.688040      4.687304
  H      -2.295590     -8.025645      3.919688
  H      -6.726714     -6.837954      2.460031
  H      -6.060472     -7.603149      3.903415
  H      -4.671772     -6.510231      1.444337
  H      -4.450539     -8.074174      2.254383
  H      -1.679706     -4.528996      0.874808
  H      -3.383980     -4.979808      0.693633
  H      -1.439628     -5.867411      2.861929
  H      -2.069119     -6.892845      1.533894
  C      -3.806547     -0.950541     -0.206913
  C      -3.350833     -2.333665      0.253601
  C      -3.831769     -2.712959      1.675778
  C      -5.260088     -3.295386      1.795160
  N      -6.289731     -2.427476      2.332323
  C      -6.590487     -1.176686      1.707829
  C      -7.269172     -1.125638      0.482501
  C      -7.618428      0.094060     -0.085360
  C      -7.311632      1.288110      0.554967
  C      -6.646814      1.252988      1.785344
  S      -6.228435      2.712061      2.672919
  C      -6.283626      0.026747      2.354601
  C      -9.353894     -5.880057      5.858900
  C      -8.153390     -6.330312      5.016099
  C      -7.165157     -5.203940      4.736994
  C      -7.730874     -3.882108      4.218340
  N      -7.503730     -2.905592      5.300178
  C      -7.698029     -1.507974      5.183681
  C      -8.650412     -0.940692      4.315630
  C      -8.967627      0.405527      4.331625
  C      -8.350301      1.281356      5.202584
  C      -7.375421      0.783785      6.064817
  S      -6.506541      1.821083      7.186858
  C      -7.030842     -0.572154      6.065930
  C      -1.144539     -5.528869      8.387811
  C      -1.312541     -4.430489      7.334512
  C      -2.685422     -4.267523      6.623449
  C      -3.871128     -4.461561      7.630142
  N      -5.154872     -4.590551      6.910868
  C      -5.930437     -5.689809      7.424442
  C      -5.610357     -7.024691      7.144856
  C      -6.284914     -8.055760      7.796301
  C      -7.283410     -7.779172      8.720428
  C      -7.629954     -6.446806      8.986490
  S      -8.887983     -5.979766     10.100397
  C      -6.945791     -5.417410      8.334744
  H      -3.396025     -0.735673     -1.195513
  H      -3.463505     -0.180399      0.490971
  H      -4.896698     -0.894252     -0.261848
  H      -2.254893     -2.355719      0.263835
  H      -3.697246     -3.085786     -0.466513
  H      -3.758119     -1.778305      2.265238
  H      -5.617089     -3.746204      0.841599
  H      -5.048265     -4.135627      2.512543
  H      -5.895654     -2.163987      3.237528
  H      -7.510373     -2.066855     -0.006829
  H      -8.135018      0.109482     -1.039424
  H      -7.587091      2.236143      0.104810
  H      -6.697835      3.596188      1.776548
  H      -5.760057      0.028976      3.314729
  H      -9.961915     -6.741583      6.137623
  H      -9.982484     -5.181427      5.299197
  H      -9.021556     -5.369372      6.772847
  H      -8.533276     -6.753179      4.073521
  H      -7.645040     -7.143765      5.549019
  H      -6.688208     -4.883024      5.652517
  H      -8.737498     -3.860223      3.767116
  H      -6.929203     -3.660857      3.534263
  H      -6.576102     -3.261001      5.465003
  H      -9.157159     -1.609768      3.622662
  H      -9.728295      0.771701      3.650673
  H      -8.623520      2.330038      5.217895
  H      -7.219635      2.939202      6.977076
  H      -6.293671     -0.892681      6.786824
  H      -1.380057     -6.523392      8.004000
  H      -1.766357     -5.333249      9.263853
  H      -0.101379     -5.531641      8.712888
  H      -1.110787     -3.467399      7.816782
  H      -0.561129     -4.550724      6.544780
  H      -2.707969     -3.207148      6.300934
  H      -3.682554     -5.367484      8.220794
  H      -3.904689     -3.611256      8.331990
  H      -4.722620     -4.851851      5.987186
  H      -4.811149     -7.236051      6.436828
  H      -6.015190     -9.086765      7.590029
  H      -7.784821     -8.590281      9.238516
  H      -9.174137     -7.208694     10.564635
  H      -7.181950     -4.372844      8.541327
  N      -4.938712     -3.033169      5.115196
  N      -5.427700     -2.112966      5.836055
  H      -4.821331     -1.536251      6.431071
  H      -6.562392     -1.944178      5.821363
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.728144226617
  N      -2.998938     -3.695795      2.366279
  C      -2.608914     -4.780310      1.448991
  C      -2.327559     -6.061950      2.217807
  N      -3.455305     -6.396886      3.122017
  C      -4.617435     -6.991188      2.432532
  C      -5.925860     -6.769706      3.216218
  N      -5.963309     -5.493726      3.927774
  Mo     -4.142847     -4.525228      3.938640
  N      -2.932458     -5.057052      5.419802
  C      -2.292605     -6.372255      5.315659
  C      -2.991995     -7.232295      4.253542
  H      -2.347950     -6.917173      6.270142
  H      -1.223411     -6.258495      5.069322
  H      -3.885778     -7.693683      4.692783
  H      -2.322580     -8.035123      3.910481
  H      -6.752913     -6.839300      2.483175
  H      -6.080580     -7.608334      3.921097
  H      -4.707799     -6.501694      1.454916
  H      -4.480267     -8.069499      2.258671
  H      -1.699721     -4.522486      0.881610
  H      -3.406997     -4.961737      0.702445
  H      -1.457698     -5.871497      2.858751
  H      -2.098916     -6.887787      1.527626
  C      -3.766520     -0.914931     -0.174364
  C      -3.336950     -2.307971      0.284954
  C      -3.833435     -2.688286      1.700381
  C      -5.275316     -3.248795      1.807652
  N      -6.298196     -2.363664      2.341174
  C      -6.581484     -1.117119      1.708919
  C      -7.240647     -1.078187      0.471279
  C      -7.576592      0.140201     -0.110774
  C      -7.276896      1.341179      0.527393
  C      -6.633235      1.313285      1.771318
  S      -6.226047      2.778263      2.661287
  C      -6.283351      0.088515      2.354355
  C      -9.361125     -5.899125      5.900708
  C      -8.164068     -6.346538      5.049892
  C      -7.184941     -5.216402      4.762141
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  N      -7.529997     -2.905418      5.301305
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  C      -8.695439     -0.969884      4.282645
  C      -9.032842      0.370886      4.248120
  C      -8.424295      1.289939      5.080331
  C      -7.437719      0.834655      5.952335
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  C      -7.060562     -0.514829      6.007656
  C      -1.090543     -5.592615      8.356659
  C      -1.277124     -4.474814      7.325695
  C      -2.662514     -4.293839      6.647971
  C      -3.826705     -4.505186      7.678670
  N      -5.125941     -4.626748      6.980564
  C      -5.894888     -5.731548      7.481686
  C      -5.584664     -7.064849      7.176288
  C      -6.267939     -8.102668      7.810402
  C      -7.267951     -7.833421      8.740005
  C      -7.602388     -6.501518      9.028901
  S      -8.867491     -6.035978     10.142397
  C      -6.906720     -5.464938      8.398888
  H      -3.342585     -0.700793     -1.160614
  H      -3.417227     -0.150517      0.530197
  H      -4.855897     -0.836654     -0.241102
  H      -2.239768     -2.347022      0.304185
  H      -3.687966     -3.053068     -0.442973
  H      -3.753482     -1.761632      2.299388
  H      -5.639046     -3.688484      0.856922
  H      -5.079238     -4.104348      2.511507
  H      -5.917583     -2.101380      3.255315
  H      -7.477819     -2.022298     -0.018093
  H      -8.078406      0.151467     -1.075709
  H      -7.543048      2.288794      0.065151
  H      -6.678504      3.657821      1.747090
  H      -5.781096      0.092058      3.324849
  H      -9.963374     -6.766259      6.185311
  H     -10.000616     -5.203399      5.345199
  H      -9.028034     -5.387171      6.816688
  H      -8.543750     -6.774465      4.108447
  H      -7.647795     -7.155801      5.583013
  H      -6.707829     -4.896440      5.682633
  H      -8.779831     -3.886175      3.784938
  H      -6.989718     -3.669411      3.523898
  H      -6.598063     -3.259952      5.464729
  H      -9.202585     -1.667996      3.618215
  H      -9.806136      0.698441      3.557525
  H      -8.712845      2.336791      5.059387
  H      -7.311057      3.023322      6.784070
  H      -6.314943     -0.770910      6.742920
  H      -1.337648     -6.582831      7.961985
  H      -1.693723     -5.412621      9.251860
  H      -0.038885     -5.607177      8.662496
  H      -1.060981     -3.518963      7.819992
  H      -0.540189     -4.583827      6.518185
  H      -2.685966     -3.232506      6.342036
  H      -3.623125     -5.422970      8.248480
  H      -3.844069     -3.668372      8.396850
  H      -4.713588     -4.862773      6.041782
  H      -4.789137     -7.271775      6.462144
  H      -6.008055     -9.134999      7.584754
  H      -7.780892     -8.650508      9.242242
  H      -9.170821     -7.272538     10.583709
  H      -7.137600     -4.421861      8.622355
  N      -4.895926     -3.029268      5.086437
  N      -5.367888     -2.091431      5.804397
  H      -4.742848     -1.512961      6.379708
  H      -6.540323     -1.920862      5.797092
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.771067890314
  N      -3.015051     -3.687369      2.389255
  C      -2.632987     -4.768994      1.458927
  C      -2.352889     -6.054807      2.216354
  N      -3.480680     -6.393063      3.126504
  C      -4.648789     -6.985647      2.438813
  C      -5.947263     -6.772937      3.232127
  N      -5.975073     -5.498226      3.945916
  Mo     -4.153260     -4.516092      3.959176
  N      -2.935996     -5.066267      5.430857
  C      -2.304895     -6.386550      5.313379
  C      -3.014586     -7.237096      4.254189
  H      -2.356836     -6.936661      6.265418
  H      -1.235878     -6.275814      5.061919
  H      -3.908607     -7.697571      4.695059
  H      -2.351528     -8.041500      3.900156
  H      -6.778450     -6.840372      2.504081
  H      -6.098568     -7.613658      3.935578
  H      -4.741918     -6.491968      1.462856
  H      -4.507017     -8.063230      2.259543
  H      -1.723024     -4.512152      0.890717
  H      -3.432148     -4.941606      0.711641
  H      -1.479269     -5.873641      2.856898
  H      -2.129811     -6.880154      1.522497
  C      -3.729600     -0.877819     -0.138954
  C      -3.325390     -2.280338      0.316495
  C      -3.837746     -2.662315      1.724228
  C      -5.292423     -3.200147      1.817256
  N      -6.307430     -2.299500      2.345745
  C      -6.571985     -1.058102      1.701288
  C      -7.207371     -1.032718      0.449949
  C      -7.526768      0.182605     -0.149489
  C      -7.235518      1.390599      0.483772
  C      -6.617884      1.372696      1.741958
  S      -6.224099      2.845509      2.630599
  C      -6.284381      0.151301      2.342878
  C      -9.359966     -5.919414      5.938689
  C      -8.168057     -6.363413      5.078971
  C      -7.199496     -5.227833      4.783753
  C      -7.812891     -3.909339      4.240203
  N      -7.548618     -2.912922      5.308117
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  C      -8.734033     -1.005601      4.268988
  C      -9.089937      0.328364      4.192162
  C      -8.485923      1.282254      4.987061
  C      -7.485718      0.862102      5.860468
  S      -6.624197      1.997159      6.901857
  C      -7.077734     -0.478194      5.959860
  C      -1.044636     -5.640725      8.325580
  C      -1.251384     -4.508322      7.313859
  C      -2.648784     -4.314729      6.668072
  C      -3.791400     -4.541443      7.720837
  N      -5.103789     -4.659097      7.043537
  C      -5.866561     -5.767876      7.537051
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  C      -6.254858     -8.141810      7.832624
  C      -7.257427     -7.878507      8.764104
  C      -7.583027     -6.547954      9.070258
  S      -8.857695     -6.085236     10.180750
  C      -6.877094     -5.505725      8.458607
  H      -3.292812     -0.662965     -1.121589
  H      -3.374758     -0.120683      0.573073
  H      -4.817569     -0.778343     -0.217007
  H      -2.227865     -2.335999      0.344536
  H      -3.680064     -3.017298     -0.419743
  H      -3.752413     -1.743943      2.333549
  H      -5.661976     -3.628621      0.867338
  H      -5.113661     -4.071036      2.507178
  H      -5.942335     -2.038603      3.268027
  H      -7.439489     -1.979875     -0.038092
  H      -8.010041      0.187938     -1.125844
  H      -7.489677      2.335963      0.006743
  H      -6.655058      3.717551      1.695446
  H      -5.807518      0.158247      3.325189
  H      -9.955918     -6.791281      6.229440
  H     -10.010301     -5.226822      5.388898
  H      -9.024429     -5.407126      6.854922
  H      -8.548850     -6.795702      4.139254
  H      -7.642302     -7.168493      5.610242
  H      -6.721730     -4.909176      5.708191
  H      -8.821208     -3.912502      3.809278
  H      -7.050554     -3.677925      3.511843
  H      -6.612714     -3.265221      5.466909
  H      -9.244797     -1.727959      3.632989
  H      -9.876962      0.621486      3.498831
  H      -8.787225      2.325978      4.937772
  H      -7.381949      3.076934      6.622115
  H      -6.320756     -0.680057      6.701544
  H      -1.300707     -6.627764      7.924138
  H      -1.629336     -5.474920      9.237626
  H       0.014231     -5.662980      8.612002
  H      -1.023022     -3.558340      7.816714
  H      -0.528769     -4.606693      6.490406
  H      -2.675148     -3.252652      6.374749
  H      -3.573932     -5.467778      8.273673
  H      -3.793545     -3.714997      8.450731
  H      -4.709484     -4.873190      6.094276
  H      -4.770514     -7.303885      6.495206
  H      -6.002735     -9.174696      7.592559
  H      -7.780349     -8.699795      9.252413
  H      -9.174428     -7.328027     10.601761
  H      -7.104807     -4.464154      8.694036
  N      -4.855765     -3.034450      5.049887
  N      -5.311680     -2.083832      5.768925
  H      -4.668926     -1.505926      6.324099
  H      -6.508036     -1.911581      5.775097
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.805763443755
  N      -3.032402     -3.682624      2.411037
  C      -2.657422     -4.761015      1.469539
  C      -2.378135     -6.051117      2.216343
  N      -3.505620     -6.392042      3.130302
  C      -4.677372     -6.982657      2.443179
  C      -5.966427     -6.777073      3.245228
  N      -5.983674     -5.503204      3.960096
  Mo     -4.164582     -4.508374      3.977915
  N      -2.941858     -5.075572      5.440273
  C      -2.319449     -6.400306      5.311404
  C      -3.038253     -7.242940      4.254844
  H      -2.368633     -6.954102      6.261622
  H      -1.250723     -6.292723      5.055710
  H      -3.932768     -7.702208      4.696683
  H      -2.381168     -8.048862      3.891574
  H      -6.802072     -6.841685      2.522385
  H      -6.115037     -7.619294      3.947533
  H      -4.772053     -6.485054      1.468817
  H      -4.530678     -8.059252      2.258650
  H      -1.746780     -4.504331      0.901399
  H      -3.456893     -4.925361      0.721008
  H      -1.501688     -5.879016      2.856826
  H      -2.159730     -6.875943      1.519603
  C      -3.687051     -0.844373     -0.104735
  C      -3.310834     -2.256112      0.346803
  C      -3.841259     -2.639835      1.745945
  C      -5.308644     -3.154115      1.823925
  N      -6.314753     -2.241301      2.350550
  C      -6.566003     -1.004051      1.697464
  C      -7.182236     -0.987347      0.435746
  C      -7.489093      0.226502     -0.174024
  C      -7.205958      1.438417      0.457933
  C      -6.609687      1.426261      1.726745
  S      -6.228779      2.903439      2.617998
  C      -6.288146      0.206830      2.338701
  C      -9.353837     -5.937549      5.968344
  C      -8.167102     -6.377981      5.100628
  C      -7.208462     -5.236284      4.799873
  C      -7.843918     -3.922093      4.249957
  N      -7.559224     -2.920575      5.312941
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  C      -8.764653     -1.043464      4.256723
  C      -9.139331      0.282452      4.140502
  C      -8.538181      1.266573      4.898774
  C      -7.524062      0.878060      5.770097
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  C      -7.085499     -0.450572      5.908847
  C      -1.002539     -5.676181      8.294538
  C      -1.230992     -4.533825      7.298679
  C      -2.640245     -4.332347      6.683783
  C      -3.761303     -4.571619      7.757143
  N      -5.085212     -4.687739      7.100246
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  C      -6.245570     -8.173679      7.861101
  C      -7.252125     -7.913972      8.790747
  C      -7.570733     -6.584744      9.108973
  S      -8.857267     -6.124321     10.212608
  C      -6.854435     -5.538986      8.513323
  H      -3.235657     -0.629647     -1.082174
  H      -3.327152     -0.095705      0.615198
  H      -4.772284     -0.722625     -0.195718
  H      -2.213837     -2.329235      0.384956
  H      -3.668174     -2.984059     -0.398171
  H      -3.750849     -1.730038      2.366221
  H      -5.683633     -3.571136      0.873238
  H      -5.148930     -4.039329      2.499505
  H      -5.964096     -1.983906      3.279785
  H      -7.409882     -1.935334     -0.053838
  H      -7.957355      0.229337     -1.158876
  H      -7.451390      2.382463     -0.028311
  H      -6.643023      3.770779      1.668531
  H      -5.831979      0.213568      3.330558
  H      -9.943914     -6.813212      6.264437
  H     -10.013790     -5.247969      5.424546
  H      -9.015592     -5.425871      6.884222
  H      -8.548993     -6.813873      4.162619
  H      -7.631957     -7.179091      5.629280
  H      -6.731426     -4.919494      5.728256
  H      -8.855990     -3.935353      3.833079
  H      -7.104819     -3.684246      3.495161
  H      -6.620133     -3.268982      5.467972
  H      -9.279747     -1.788183      3.650011
  H      -9.939939      0.542659      3.447893
  H      -8.850756      2.306335      4.824892
  H      -7.441566      3.115700      6.466587
  H      -6.317084     -0.604360      6.652496
  H      -1.265536     -6.661377      7.890381
  H      -1.568627     -5.522396      9.221570
  H       0.062582     -5.702480      8.561138
  H      -0.991938     -3.588140      7.806553
  H      -0.522853     -4.622718      6.460615
  H      -2.670844     -3.269786      6.399257
  H      -3.531119     -5.503613      8.296830
  H      -3.748816     -3.752317      8.494534
  H      -4.707540     -4.883871      6.144160
  H      -4.753730     -7.333186      6.535059
  H      -5.999957     -9.206902      7.611055
  H      -7.784805     -8.737570      9.266547
  H      -9.185720     -7.371792     10.615631
  H      -7.080184     -4.498621      8.756396
  N      -4.818341     -3.044483      5.007407
  N      -5.259434     -2.080719      5.726568
  H      -4.600732     -1.503545      6.261142
  H      -6.466283     -1.906465      5.747646
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.833713972530
  N      -3.051426     -3.680061      2.431872
  C      -2.682803     -4.754354      1.480320
  C      -2.403727     -6.049409      2.216316
  N      -3.530643     -6.392947      3.132009
  C      -4.704242     -6.980392      2.443893
  C      -5.984221     -6.780270      3.254786
  N      -5.989674     -5.507443      3.971192
  Mo     -4.177098     -4.501579      3.995034
  N      -2.950326     -5.085660      5.448121
  C      -2.336734     -6.414328      5.308655
  C      -3.063542     -7.249768      4.253703
  H      -2.383893     -6.971095      6.257307
  H      -1.268317     -6.310033      5.049664
  H      -3.958798     -7.707684      4.695777
  H      -2.412063     -8.057132      3.882496
  H      -6.825195     -6.840470      2.538010
  H      -6.130370     -7.623987      3.955590
  H      -4.799595     -6.478285      1.471533
  H      -4.552976     -8.055710      2.253296
  H      -1.771663     -4.496556      0.913053
  H      -3.482051     -4.910499      0.730117
  H      -1.525039     -5.886617      2.856884
  H      -2.189286     -6.873109      1.516592
  C      -3.643147     -0.812356     -0.068582
  C      -3.294890     -2.233180      0.376542
  C      -3.844220     -2.618966      1.766150
  C      -5.323788     -3.108252      1.827065
  N      -6.320228     -2.184869      2.350995
  C      -6.559003     -0.952895      1.686284
  C      -7.152698     -0.946556      0.413300
  C      -7.446881      0.264214     -0.208954
  C      -7.175209      1.480673      0.420273
  C      -6.603881      1.476879      1.700405
  S      -6.240902      2.960193      2.591904
  C      -6.294249      0.261057      2.325817
  C      -9.342657     -5.956819      5.992839
  C      -8.161633     -6.390812      5.115800
  C      -7.212668     -5.241359      4.813468
  C      -7.868480     -3.930964      4.264954
  N      -7.564337     -2.926841      5.324763
  C      -7.767543     -1.530788      5.113102
  C      -8.790842     -1.080947      4.257766
  C      -9.185314      0.235666      4.107183
  C      -8.587341      1.245338      4.832296
  C      -7.559283      0.884889      5.698431
  S      -6.701715      2.099688      6.663080
  C      -7.088900     -0.429759      5.868953
  C      -0.962572     -5.703938      8.261639
  C      -1.214804     -4.554565      7.280059
  C      -2.636163     -4.349037      6.696180
  C      -3.735045     -4.599471      7.789037
  N      -5.069510     -4.714929      7.152652
  C      -5.823901     -5.826817      7.642520
  C      -5.532860     -7.156484      7.297336
  C      -6.239973     -8.201707      7.893739
  C      -7.250953     -7.943873      8.819525
  C      -7.563387     -6.615805      9.146929
  S      -8.862203     -6.157846     10.242157
  C      -6.836833     -5.568098      8.565363
  H      -3.177235     -0.596751     -1.039752
  H      -3.278605     -0.073741      0.660190
  H      -4.725078     -0.668798     -0.172090
  H      -2.199145     -2.323901      0.424655
  H      -3.654238     -2.951012     -0.377772
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  H      -5.986346     -1.930429      3.286606
  H      -7.373316     -1.896038     -0.076897
  H      -7.897360      0.262467     -1.202695
  H      -7.411788      2.421879     -0.076769
  H      -6.636610      3.820339      1.626535
  H      -5.861938      0.269599      3.328099
  H      -9.926904     -6.836393      6.291758
  H     -10.011706     -5.268792      5.457549
  H      -9.000609     -5.448840      6.908846
  H      -8.545382     -6.827184      4.178644
  H      -7.616534     -7.189392      5.638626
  H      -6.737314     -4.929073      5.746495
  H      -8.886295     -3.952671      3.865712
  H      -7.156280     -3.684768      3.482294
  H      -6.622431     -3.269223      5.476536
  H      -9.309759     -1.845650      3.679461
  H      -9.999082      0.465121      3.418246
  H      -8.911005      2.280447      4.739060
  H      -7.499178      3.141452      6.339718
  H      -6.308993     -0.542378      6.610638
  H      -1.230680     -6.688165      7.857150
  H      -1.509536     -5.561204      9.202529
  H       0.108128     -5.731130      8.507531
  H      -0.966291     -3.612204      7.790804
  H      -0.521773     -4.633924      6.427976
  H      -2.672466     -3.285897      6.418467
  H      -3.492884     -5.535250      8.317955
  H      -3.708147     -3.785127      8.531109
  H      -4.707385     -4.896062      6.191877
  H      -4.739468     -7.361672      6.579326
  H      -6.000241     -9.235082      7.636391
  H      -7.793063     -8.768477      9.283843
  H      -9.200817     -7.409007     10.628354
  H      -7.060969     -4.528657      8.813536
  N      -4.787616     -3.053110      4.968650
  N      -5.215299     -2.076813      5.688448
  H      -4.542943     -1.500258      6.203172
  H      -6.418092     -1.902273      5.725546
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.856499356956
  N      -3.068811     -3.683557      2.449682
  C      -2.705680     -4.753448      1.489697
  C      -2.426759     -6.053426      2.215789
  N      -3.553440     -6.398480      3.131524
  C      -4.727844     -6.981140      2.441035
  C      -5.999511     -6.783415      3.260274
  N      -5.991662     -5.511461      3.978293
  Mo     -4.188239     -4.498117      4.008932
  N      -2.959037     -5.098400      5.453534
  C      -2.354770     -6.430823      5.305302
  C      -3.088640     -7.259878      4.251442
  H      -2.401052     -6.989369      6.252996
  H      -1.286498     -6.330595      5.044016
  H      -3.985162     -7.715555      4.693320
  H      -2.442619     -8.069243      3.874312
  H      -6.846327     -6.837442      2.550190
  H      -6.144122     -7.628167      3.959663
  H      -4.822584     -6.474336      1.470838
  H      -4.573362     -8.055187      2.244227
  H      -1.794017     -4.493852      0.923968
  H      -3.504165     -4.901831      0.737424
  H      -1.546262     -5.899907      2.856513
  H      -2.215765     -6.875895      1.513353
  C      -3.590642     -0.786059     -0.033728
  C      -3.272274     -2.215948      0.403742
  C      -3.842846     -2.603679      1.782709
  C      -5.334500     -3.066367      1.824730
  N      -6.321000     -2.134753      2.347219
  C      -6.552915     -0.907870      1.673141
  C      -7.125386     -0.909709      0.390245
  C      -7.411978      0.298598     -0.240285
  C      -7.155657      1.518333      0.389311
  C      -6.607859      1.521076      1.679419
  S      -6.268024      3.008934      2.574383
  C      -6.304742      0.308351      2.313917
  C      -9.328069     -5.973272      6.009965
  C      -8.152955     -6.399363      5.123047
  C      -7.211368     -5.242093      4.823328
  C      -7.883692     -3.933973      4.282733
  N      -7.563896     -2.927653      5.340281
  C      -7.771120     -1.536531      5.111430
  C      -8.812661     -1.115662      4.264180
  C      -9.229288      0.190088      4.082138
  C      -8.637467      1.222974      4.777941
  C      -7.596655      0.889741      5.638964
  S      -6.747462      2.140358      6.571418
  C      -7.092050     -0.408609      5.835921
  C      -0.923066     -5.726469      8.226491
  C      -1.200031     -4.572739      7.257422
  C      -2.633437     -4.366558      6.704370
  C      -3.709991     -4.626141      7.815609
  N      -5.054382     -4.740929      7.199626
  C      -5.807551     -5.851539      7.692265
  C      -5.523092     -7.181415      7.342492
  C      -6.240304     -8.224840      7.929606
  C      -7.255921     -7.965233      8.849680
  C      -7.560901     -6.637288      9.183016
  S      -8.871450     -6.179056     10.268120
  C      -6.822624     -5.590472      8.613248
  H      -3.108826     -0.569675     -0.997295
  H      -3.221971     -0.058968      0.704892
  H      -4.668249     -0.620222     -0.150686
  H      -2.178500     -2.325132      0.462751
  H      -3.632745     -2.922655     -0.360676
  H      -3.743681     -1.711725      2.426101
  H      -5.717121     -3.458586      0.867985
  H      -5.219111     -3.978994      2.471793
  H      -6.004445     -1.884094      3.288731
  H      -7.336166     -1.859934     -0.102719
  H      -7.845768      0.293485     -1.241686
  H      -7.387468      2.457028     -0.115046
  H      -6.649288      3.863245      1.597211
  H      -5.894754      0.317090      3.325604
  H      -9.907916     -6.856337      6.308798
  H     -10.004546     -5.284513      5.485002
  H      -8.981236     -5.472189      6.927074
  H      -8.539243     -6.832708      4.185602
  H      -7.598916     -7.197457      5.637531
  H      -6.739217     -4.937296      5.762109
  H      -8.908558     -3.963089      3.904195
  H      -7.201270     -3.678181      3.471960
  H      -6.619276     -3.261607      5.491689
  H      -9.332787     -1.899422      3.713083
  H     -10.054756      0.389303      3.397474
  H      -8.973456      2.252604      4.668475
  H      -7.564341      3.162793      6.232999
  H      -6.302287     -0.484660      6.574224
  H      -1.194946     -6.710587      7.823659
  H      -1.450855     -5.593294      9.180031
  H       0.152554     -5.752163      8.451399
  H      -0.942999     -3.632647      7.768958
  H      -0.522504     -4.642986      6.391956
  H      -2.676489     -3.302966      6.431551
  H      -3.456981     -5.564046      8.336339
  H      -3.668764     -3.814460      8.559602
  H      -4.706710     -4.910736      6.235691
  H      -4.728554     -7.390585      6.626795
  H      -6.007336     -9.258855      7.667814
  H      -7.808519     -8.788719      9.303901
  H      -9.220900     -7.432335     10.639348
  H      -7.043867     -4.551084      8.863687
  N      -4.764200     -3.053503      4.937149
  N      -5.179855     -2.064204      5.655718
  H      -4.496730     -1.486950      6.151678
  H      -6.364732     -1.892304      5.706850
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.502690347375
  N      -3.084774     -3.690816      2.464796
  C      -2.726047     -4.755605      1.497356
  C      -2.447054     -6.060200      2.214344
  N      -3.573819     -6.406109      3.129111
  C      -4.748591     -6.982440      2.435278
  C      -6.012616     -6.785003      3.262395
  N      -5.990366     -5.514251      3.982705
  Mo     -4.197734     -4.497017      4.020282
  N      -2.967350     -5.112672      5.457075
  C      -2.372616     -6.448584      5.301387
  C      -3.112824     -7.271367      4.247933
  H      -2.418944     -7.008348      6.248443
  H      -1.304309     -6.353010      5.038568
  H      -4.011084     -7.724097      4.689218
  H      -2.472107     -8.083155      3.866406
  H      -6.865607     -6.831215      2.559574
  H      -6.156242     -7.630714      3.960200
  H      -4.842014     -6.470414      1.467613
  H      -4.592436     -8.055229      2.231896
  H      -1.814050     -4.493378      0.933405
  H      -3.523610     -4.896760      0.742978
  H      -1.564908     -5.915656      2.855009
  H      -2.239164     -6.881154      1.509087
  C      -3.538863     -0.763531      0.002437
  C      -3.247577     -2.202154      0.428925
  C      -3.838774     -2.592457      1.796812
  C      -5.341287     -3.028090      1.818220
  N      -6.318246     -2.089511      2.338220
  C      -6.545043     -0.868914      1.652882
  C      -7.092718     -0.881367      0.359170
  C      -7.373022      0.322759     -0.282045
  C      -7.136787      1.547034      0.346476
  C      -6.615974      1.559352      1.647411
  S      -6.305662      3.053885      2.543125
  C      -6.318007      0.351462      2.293421
  C      -9.311968     -5.986334      6.022342
  C      -8.142927     -6.403446      5.124848
  C      -7.205789     -5.239070      4.831311
  C      -7.890677     -3.931910      4.304478
  N      -7.559965     -2.925585      5.361737
  C      -7.773352     -1.539209      5.120917
  C      -8.831705     -1.146681      4.281078
  C      -9.271775      0.147526      4.073719
  C      -8.689821      1.200046      4.747497
  C      -7.638302      0.891547      5.603952
  S      -6.803671      2.173640      6.513064
  C      -7.098034     -0.389382      5.819248
  C      -0.884582     -5.746350      8.189709
  C      -1.185858     -4.589468      7.232458
  C      -2.630777     -4.384899      6.709526
  C      -3.685485     -4.652569      7.837531
  N      -5.039171     -4.765653      7.241197
  C      -5.793564     -5.873166      7.737593
  C      -5.517664     -7.203813      7.384385
  C      -6.246741     -8.243666      7.962955
  C      -7.266061     -7.979625      8.877378
  C      -7.561297     -6.651011      9.215912
  S      -8.880964     -6.190142     10.291838
  C      -6.810151     -5.607320      8.656383
  H      -3.042595     -0.544262     -0.953245
  H      -3.166829     -0.049152      0.751874
  H      -4.612244     -0.577733     -0.126040
  H      -2.156092     -2.328646      0.497529
  H      -3.608595     -2.897006     -0.346079
  H      -3.736197     -1.709604      2.451868
  H      -5.725574     -3.406799      0.856721
  H      -5.250681     -3.952754      2.451264
  H      -6.020766     -1.841659      3.285495
  H      -7.289786     -1.833600     -0.135361
  H      -7.787362      0.311597     -1.291700
  H      -7.364711      2.481793     -0.166964
  H      -6.671566      3.899820      1.552439
  H      -5.933007      0.363174      3.314877
  H      -9.889075     -6.872477      6.318329
  H      -9.994155     -5.294433      5.509323
  H      -8.959377     -5.494978      6.941633
  H      -8.532683     -6.830301      4.186057
  H      -7.581461     -7.203217      5.628875
  H      -6.737858     -4.944554      5.776710
  H      -8.923257     -3.967804      3.949011
  H      -7.239994     -3.664760      3.467336
  H      -6.612592     -3.249664      5.514864
  H      -9.349943     -1.947158      3.753024
  H     -10.106801      0.319088      3.393189
  H      -9.039437      2.223796      4.626905
  H      -7.639510      3.177343      6.164273
  H      -6.300637     -0.434879      6.553646
  H      -1.159393     -6.730612      7.788900
  H      -1.393811     -5.621861      9.154652
  H       0.195281     -5.769303      8.394147
  H      -0.921110     -3.651139      7.743888
  H      -0.523836     -4.650656      6.354336
  H      -2.681334     -3.320886      6.440861
  H      -3.422939     -5.591767      8.351621
  H      -3.630400     -3.842229      8.581879
  H      -4.704812     -4.927302      6.274871
  H      -4.722150     -7.418616      6.671233
  H      -6.022141     -9.278644      7.697521
  H      -7.830032     -8.800454      9.322426
  H      -9.242345     -7.444344     10.649008
  H      -7.026278     -4.567336      8.908343
  N      -4.748150     -3.044919      4.916658
  N      -5.153258     -2.044741      5.634487
  H      -4.462317     -1.465839      6.114532
  H      -6.309533     -1.878866      5.697332
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.892060188423
  N      -3.103853     -3.701434      2.478872
  C      -2.746232     -4.757135      1.501388
  C      -2.463220     -6.065774      2.207554
  N      -3.589056     -6.413953      3.121119
  C      -4.763441     -6.982823      2.423133
  C      -6.021022     -6.787459      3.256906
  N      -5.984351     -5.518524      3.982006
  Mo     -4.205044     -4.499244      4.028545
  N      -2.972812     -5.128332      5.454552
  C      -2.385498     -6.466684      5.291492
  C      -3.130817     -7.283540      4.238035
  H      -2.430616     -7.028018      6.237884
  H      -1.317337     -6.374336      5.026599
  H      -4.030134     -7.734759      4.678684
  H      -2.494197     -8.096781      3.852048
  H      -6.879529     -6.824517      2.560802
  H      -6.163944     -7.635408      3.951579
  H      -4.855674     -6.464082      1.458890
  H      -4.605771     -8.054033      2.211443
  H      -1.835296     -4.488429      0.939178
  H      -3.542898     -4.891789      0.745466
  H      -1.578705     -5.928634      2.847132
  H      -2.257061     -6.883660      1.498027
  C      -3.487704     -0.745801      0.043186
  C      -3.224707     -2.192851      0.457533
  C      -3.840118     -2.586704      1.812540
  C      -5.349744     -2.994465      1.811395
  N      -6.317277     -2.051015      2.331675
  C      -6.538780     -0.834491      1.639350
  C      -7.061544     -0.851037      0.335185
  C      -7.334057      0.351967     -0.311668
  C      -7.116296      1.577857      0.320439
  C      -6.622233      1.593513      1.631681
  S      -6.338937      3.090399      2.533233
  C      -6.330952      0.387460      2.284006
  C      -9.309710     -6.017306      6.016152
  C      -8.133887     -6.413597      5.109831
  C      -7.198253     -5.240415      4.833262
  C      -7.890644     -3.932258      4.322658
  N      -7.556339     -2.926813      5.381226
  C      -7.776700     -1.545332      5.129488
  C      -8.848893     -1.181137      4.293595
  C      -9.312176      0.101012      4.062674
  C      -8.742635      1.171481      4.718367
  C      -7.683478      0.886918      5.573022
  S      -6.867897      2.198801      6.463206
  C      -7.108710     -0.376062      5.805182
  C      -0.844518     -5.764510      8.147818
  C      -1.168913     -4.605641      7.201240
  C      -2.624746     -4.404053      6.707935
  C      -3.657483     -4.676754      7.852558
  N      -5.020092     -4.787688      7.275893
  C      -5.778690     -5.886225      7.782493
  C      -5.517352     -7.221664      7.437033
  C      -6.262273     -8.249374      8.017322
  C      -7.282721     -7.967997      8.925516
  C      -7.561775     -6.634150      9.257057
  S      -8.885893     -6.152392     10.320214
  C      -6.794188     -5.603059      8.697387
  H      -2.974317     -0.523187     -0.902674
  H      -3.114798     -0.045349      0.805297
  H      -4.555977     -0.540813     -0.099016
  H      -2.135866     -2.336825      0.538682
  H      -3.583450     -2.875027     -0.329337
  H      -3.734488     -1.713675      2.479577
  H      -5.735460     -3.357779      0.844293
  H      -5.282956     -3.929906      2.428296
  H      -6.038022     -1.807947      3.284823
  H      -7.245797     -1.803079     -0.164444
  H      -7.728846      0.339320     -1.329200
  H      -7.338955      2.511085     -0.198140
  H      -6.688117      3.932797      1.533290
  H      -5.969489      0.397880      3.314224
  H      -9.897554     -6.931752      6.301664
  H      -9.994435     -5.318157      5.516519
  H      -8.960314     -5.542581      6.945884
  H      -8.520171     -6.825788      4.163143
  H      -7.567468     -7.218637      5.600755
  H      -6.738655     -4.959972      5.788122
  H      -8.928861     -3.975095      3.986099
  H      -7.267322     -3.652410      3.465181
  H      -6.606386     -3.240337      5.539243
  H      -9.362508     -1.997024      3.785581
  H     -10.153922      0.246300      3.384337
  H      -9.105652      2.189263      4.587535
  H      -7.721015      3.184024      6.103458
  H      -6.306528     -0.394087      6.536643
  H      -1.122446     -6.749139      7.749776
  H      -1.335550     -5.647022      9.123176
  H       0.239104     -5.784594      8.332247
  H      -0.896429     -3.668451      7.711307
  H      -0.522518     -4.658955      6.310915
  H      -2.683309     -3.339827      6.442453
  H      -3.387311     -5.615805      8.363332
  H      -3.587774     -3.865123      8.594212
  H      -4.698014     -4.947024      6.308309
  H      -4.722529     -7.451418      6.727448
  H      -6.050988     -9.288546      7.757287
  H      -7.861257     -8.779290      9.369467
  H      -9.265549     -7.401400     10.676853
  H      -6.999813     -4.559177      8.941716
  N      -4.736381     -3.037155      4.901800
  N      -5.133106     -2.026457      5.618403
  H      -4.437147     -1.444423      6.084961
  H      -6.256703     -1.868318      5.689202
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.907038294143
  N      -3.117155     -3.717188      2.489236
  C      -2.760862     -4.768064      1.507280
  C      -2.477531     -6.078644      2.209132
  N      -3.604135     -6.424800      3.121622
  C      -4.778844     -6.986587      2.420581
  C      -6.030106     -6.788364      3.260875
  N      -5.978999     -5.520176      3.987510
  Mo     -4.210776     -4.502235      4.037545
  N      -2.978895     -5.142338      5.457280
  C      -2.400804     -6.483959      5.291677
  C      -3.151747     -7.296013      4.239551
  H      -2.447145     -7.044349      6.238675
  H      -1.332358     -6.397579      5.025935
  H      -4.053519     -7.742277      4.680138
  H      -2.520397     -8.113129      3.852910
  H      -6.894676     -6.817285      2.572626
  H      -6.171970     -7.636237      3.954981
  H      -4.869704     -6.463381      1.458738
  H      -4.622239     -8.056985      2.203803
  H      -1.850055     -4.496236      0.946522
  H      -3.556702     -4.898137      0.749806
  H      -1.591472     -5.947854      2.847624
  H      -2.274156     -6.896035      1.498187
  C      -3.437686     -0.731991      0.080119
  C      -3.196667     -2.187067      0.479053
  C      -3.831862     -2.585435      1.822811
  C      -5.349297     -2.966860      1.799596
  N      -6.307766     -2.017077      2.318612
  C      -6.530637     -0.805958      1.618733
  C      -7.030714     -0.830098      0.305835
  C      -7.303593      0.369493     -0.347299
  C      -7.110121      1.598557      0.286450
  C      -6.639986      1.621263      1.606426
  S      -6.390858      3.122519      2.511078
  C      -6.346981      0.419391      2.265300
  C      -9.292535     -6.014346      6.031587
  C      -8.125714     -6.407932      5.115782
  C      -7.188156     -5.233019      4.843904
  C      -7.886494     -3.926860      4.347144
  N      -7.551629     -2.919731      5.402966
  C      -7.780729     -1.542504      5.140750
  C      -8.865030     -1.206723      4.307447
  C      -9.348871      0.064082      4.056404
  C      -8.791846      1.150219      4.698051
  C      -7.727010      0.887833      5.552450
  S      -6.933047      2.225154      6.429601
  C      -7.120993     -0.358351      5.795640
  C      -0.807546     -5.779020      8.111536
  C      -1.153663     -4.617787      7.176211
  C      -2.619127     -4.420997      6.710173
  C      -3.632890     -4.701610      7.867673
  N      -5.003569     -4.806321      7.307677
  C      -5.768609     -5.900302      7.813372
  C      -5.521093     -7.234764      7.455335
  C      -6.280022     -8.259544      8.022704
  C      -7.299582     -7.975519      8.931011
  C      -7.563405     -6.642105      9.277163
  S      -8.887332     -6.159519     10.341621
  C      -6.782418     -5.614082      8.729906
  H      -2.911863     -0.503431     -0.857441
  H      -3.063509     -0.045657      0.854366
  H      -4.501888     -0.511549     -0.070690
  H      -2.110572     -2.345642      0.567966
  H      -3.554711     -2.856297     -0.319220
  H      -3.723607     -1.721129      2.500700
  H      -5.733863     -3.315093      0.826365
  H      -5.309521     -3.911158      2.403835
  H      -6.045236     -1.777121      3.276619
  H      -7.197948     -1.783666     -0.196657
  H      -7.680993      0.351888     -1.371303
  H      -7.334001      2.528462     -0.237441
  H      -6.730214      3.958914      1.502775
  H      -6.006206      0.432433      3.302711
  H      -9.878278     -6.923579      6.312795
  H      -9.979218     -5.310018      5.542982
  H      -8.934878     -5.549807      6.962330
  H      -8.518902     -6.812368      4.169075
  H      -7.556956     -7.216389      5.598062
  H      -6.733224     -4.962735      5.804615
  H      -8.932456     -3.979075      4.036194
  H      -7.294657     -3.638712      3.468394
  H      -6.599743     -3.222308      5.569173
  H      -9.373530     -2.036283      3.817648
  H     -10.195493      0.186301      3.379757
  H      -9.167531      2.162203      4.558902
  H      -7.800949      3.193465      6.059896
  H      -6.315242     -0.355429      6.524059
  H      -1.087282     -6.763510      7.714273
  H      -1.282519     -5.669169      9.095714
  H       0.279019     -5.795220      8.277950
  H      -0.875339     -3.681899      7.685790
  H      -0.521914     -4.661998      6.275016
  H      -2.686388     -3.356325      6.448928
  H      -3.356117     -5.641997      8.372532
  H      -3.551351     -3.891107      8.609426
  H      -4.693177     -4.962555      6.337955
  H      -4.727869     -7.466909      6.743930
  H      -6.081298     -9.298363      7.751885
  H      -7.889861     -8.784519      9.363404
  H      -9.281267     -7.409266     10.679308
  H      -6.977427     -4.570297      8.982908
  N      -4.727002     -3.023563      4.892280
  N      -5.114820     -2.002236      5.603119
  H      -4.415264     -1.415680      6.056796
  H      -6.205081     -1.850352      5.680976
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.920212273805
  N      -3.128698     -3.735452      2.495696
  C      -2.773136     -4.782063      1.510861
  C      -2.489931     -6.093724      2.210826
  N      -3.617483     -6.436923      3.122947
  C      -4.793367     -6.991170      2.419100
  C      -6.039454     -6.788785      3.264691
  N      -5.974579     -5.521839      3.992849
  Mo     -4.214799     -4.507393      4.045307
  N      -2.982994     -5.157161      5.460094
  C      -2.414264     -6.502222      5.293043
  C      -3.171162     -7.309457      4.242134
  H      -2.462128     -7.061477      6.240798
  H      -1.345504     -6.422371      5.026403
  H      -4.075480     -7.750031      4.682878
  H      -2.545358     -8.130985      3.855646
  H      -6.909377     -6.809118      2.583575
  H      -6.181254     -7.636409      3.958445
  H      -4.882667     -6.463353      1.459766
  H      -4.639350     -8.060956      2.197604
  H      -1.862620     -4.507371      0.951080
  H      -3.568597     -4.908642      0.752280
  H      -1.602223     -5.968274      2.847719
  H      -2.289949     -6.911227      1.498982
  C      -3.393411     -0.721049      0.116588
  C      -3.169500     -2.183763      0.497539
  C      -3.821481     -2.587786      1.830574
  C      -5.345960     -2.944153      1.785681
  N      -6.295428     -1.988542      2.305732
  C      -6.522143     -0.781246      1.602529
  C      -7.001975     -0.808582      0.282177
  C      -7.277458      0.389460     -0.372917
  C      -7.107765      1.619572      0.265556
  C      -6.658393      1.645072      1.592892
  S      -6.441722      3.147512      2.504029
  C      -6.361470      0.445509      2.253780
  C      -9.282088     -6.007149      6.040792
  C      -8.123866     -6.399676      5.117537
  C      -7.180299     -5.225551      4.852259
  C      -7.880557     -3.920943      4.366251
  N      -7.552453     -2.912076      5.419498
  C      -7.790363     -1.538378      5.147141
  C      -8.881864     -1.228904      4.311586
  C      -9.381624      0.032072      4.042560
  C      -8.837386      1.130925      4.674922
  C      -7.771192      0.887721      5.533052
  S      -7.000462      2.245999      6.402886
  C      -7.139813     -0.344131      5.785682
  C      -0.770810     -5.790266      8.078545
  C      -1.137173     -4.628080      7.152545
  C      -2.611011     -4.437646      6.711417
  C      -3.607497     -4.724257      7.880664
  N      -4.984892     -4.821728      7.335605
  C      -5.756143     -5.910498      7.842642
  C      -5.519281     -7.244507      7.476214
  C      -6.290522     -8.266188      8.032643
  C      -7.310664     -7.978792      8.938989
  C      -7.562236     -6.645558      9.295667
  S      -8.887465     -6.161521     10.358355
  C      -6.769485     -5.620824      8.758912
  H      -2.858129     -0.484200     -0.813501
  H      -3.018343     -0.049071      0.902925
  H      -4.454472     -0.488349     -0.039511
  H      -2.085813     -2.354817      0.591480
  H      -3.527345     -2.839727     -0.311907
  H      -3.710595     -1.732295      2.518993
  H      -5.728094     -3.275751      0.805714
  H      -5.334528     -3.895781      2.377076
  H      -6.047409     -1.753664      3.268255
  H      -7.152565     -1.762189     -0.225258
  H      -7.639621      0.369771     -1.402346
  H      -7.334464      2.547695     -0.260213
  H      -6.773867      3.981376      1.491327
  H      -6.037512      0.458857      3.296709
  H      -9.866034     -6.906504      6.315276
  H      -9.968262     -5.295606      5.562455
  H      -8.916393     -5.553588      6.973379
  H      -8.523347     -6.795435      4.170071
  H      -7.556043     -7.212959      5.592047
  H      -6.731737     -4.966330      5.819365
  H      -8.932957     -3.983765      4.078764
  H      -7.316040     -3.625984      3.470334
  H      -6.599672     -3.203559      5.598875
  H      -9.384171     -2.069655      3.835676
  H     -10.229379      0.135512      3.364348
  H      -9.223114      2.137915      4.527717
  H      -7.878807      3.199640      6.020453
  H      -6.332411     -0.326659      6.512688
  H      -1.051777     -6.774926      7.682595
  H      -1.231402     -5.686272      9.070174
  H       0.318149     -5.801973      8.228644
  H      -0.854188     -3.692655      7.660602
  H      -0.519337     -4.664410      6.241458
  H      -2.687320     -3.372822      6.453432
  H      -3.325541     -5.665667      8.380800
  H      -3.515549     -3.914360      8.621878
  H      -4.685655     -4.978022      6.363465
  H      -4.726211     -7.478844      6.765290
  H      -6.101646     -9.304812      7.754258
  H      -7.911498     -8.785151      9.361569
  H      -9.293864     -7.411335     10.680225
  H      -6.956073     -4.576974      9.017675
  N      -4.717125     -3.015504      4.883375
  N      -5.096158     -1.983470      5.585970
  H      -4.394325     -1.392274      6.028820
  H      -6.160998     -1.834661      5.669046
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.931977473154
  N      -3.138073     -3.753953      2.499145
  C      -2.782818     -4.797384      1.513066
  C      -2.500300     -6.109308      2.213120
  N      -3.628898     -6.448341      3.125296
  C      -4.806567     -6.994808      2.419213
  C      -6.048116     -6.787811      3.269496
  N      -5.970744     -5.522147      3.999106
  Mo     -4.216947     -4.512432      4.052254
  N      -2.985231     -5.170889      5.463277
  C      -2.425939     -6.519524      5.295546
  C      -3.189003     -7.322013      4.245849
  H      -2.475688     -7.077539      6.244143
  H      -1.356851     -6.446640      5.028085
  H      -4.096089     -7.756153      4.687032
  H      -2.569108     -8.148474      3.860186
  H      -6.922787     -6.800148      2.594892
  H      -6.189899     -7.635146      3.963137
  H      -4.894413     -6.462417      1.462394
  H      -4.656158     -8.064164      2.193499
  H      -1.872629     -4.520505      0.953899
  H      -3.578111     -4.921703      0.753752
  H      -1.610936     -5.988359      2.848192
  H      -2.304267     -6.927613      1.501026
  C      -3.350102     -0.712818      0.149326
  C      -3.140871     -2.182225      0.513313
  C      -3.808625     -2.591654      1.836037
  C      -5.339285     -2.923928      1.769748
  N      -6.280169     -1.962091      2.290940
  C      -6.512434     -0.758752      1.585152
  C      -6.972719     -0.789137      0.257907
  C      -7.252636      0.406945     -0.399000
  C      -7.107674      1.637883      0.243664
  C      -6.678128      1.666267      1.577649
  S      -6.494757      3.169809      2.494274
  C      -6.375566      0.469370      2.240435
  C      -9.271639     -5.999722      6.052639
  C      -8.122242     -6.390770      5.120933
  C      -7.172954     -5.217680      4.861235
  C      -7.875608     -3.914886      4.384677
  N      -7.558908     -2.903885      5.436278
  C      -7.806628     -1.533111      5.155773
  C      -8.900927     -1.247747      4.314391
  C      -9.411752      0.005810      4.030834
  C      -8.880072      1.114315      4.659144
  C      -7.816214      0.886767      5.524355
  S      -7.068952      2.260201      6.393617
  C      -7.166051     -0.334107      5.783311
  C      -0.735909     -5.800315      8.047228
  C      -1.120488     -4.636876      7.130526
  C      -2.601428     -4.452960      6.712303
  C      -3.582664     -4.745687      7.891723
  N      -4.965950     -4.834011      7.359896
  C      -5.744604     -5.917660      7.867115
  C      -5.520177     -7.250884      7.490081
  C      -6.303970     -8.269351      8.034815
  C      -7.322996     -7.978945      8.941199
  C      -7.560566     -6.646504      9.310793
  S      -8.883602     -6.161266     10.375873
  C      -6.756279     -5.625109      8.784477
  H      -2.806317     -0.467875     -0.773644
  H      -2.975098     -0.054166      0.946870
  H      -4.408344     -0.469904     -0.011415
  H      -2.059451     -2.364376      0.611739
  H      -3.498258     -2.825546     -0.306534
  H      -3.695542     -1.744569      2.534251
  H      -5.717494     -3.238424      0.782717
  H      -5.356846     -3.881429      2.349126
  H      -6.045203     -1.732222      3.257328
  H      -7.105869     -1.742809     -0.253997
  H      -7.600156      0.384745     -1.433370
  H      -7.338444      2.563975     -0.283800
  H      -6.820952      4.000907      1.477460
  H      -6.067212      0.483917      3.288137
  H      -9.854406     -6.891296      6.322045
  H      -9.957785     -5.281278      5.584875
  H      -8.897055     -5.556057      6.986112
  H      -8.528465     -6.778422      4.173178
  H      -7.554918     -7.208641      5.587902
  H      -6.730213     -4.968842      5.834273
  H      -8.933638     -3.990675      4.120307
  H      -7.336682     -3.613551      3.474015
  H      -6.605669     -3.183479      5.631984
  H      -9.396053     -2.097240      3.847509
  H     -10.257434      0.095495      3.348237
  H      -9.273439      2.117199      4.504846
  H      -7.953100      3.202260      5.996612
  H      -6.358196     -0.308968      6.510385
  H      -1.018006     -6.784745      7.651532
  H      -1.183792     -5.701936      9.045208
  H       0.354930     -5.807827      8.182768
  H      -0.833682     -3.701965      7.637505
  H      -0.515670     -4.665585      6.210514
  H      -2.687086     -3.387940      6.457876
  H      -3.296990     -5.688679      8.386813
  H      -3.481172     -3.937116      8.633158
  H      -4.677305     -4.991833      6.385516
  H      -4.728188     -7.486766      6.778420
  H      -6.126081     -9.307316      7.747079
  H      -7.934197     -8.782516      9.354003
  H      -9.303123     -7.410789     10.681208
  H      -6.932956     -4.581579      9.051205
  N      -4.706345     -3.010486      4.875384
  N      -5.076898     -1.968885      5.569289
  H      -4.373494     -1.373346      6.002777
  H      -6.126457     -1.820842      5.658043
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.942790423084
  N      -3.147189     -3.773269      2.499922
  C      -2.791672     -4.814321      1.513725
  C      -2.509609     -6.125730      2.215269
  N      -3.638940     -6.459915      3.128014
  C      -4.818936     -6.998672      2.420423
  C      -6.056707     -6.787157      3.274726
  N      -5.968593     -5.522594      4.005790
  Mo     -4.218743     -4.518357      4.058126
  N      -2.986676     -5.184505      5.466030
  C      -2.436161     -6.536497      5.298093
  C      -3.205225     -7.334569      4.249773
  H      -2.487719     -7.093260      6.247544
  H      -1.366829     -6.470397      5.029699
  H      -4.114955     -7.762093      4.691743
  H      -2.591276     -8.166073      3.865243
  H      -6.935283     -6.792454      2.605670
  H      -6.198487     -7.634230      3.968313
  H      -4.905534     -6.461817      1.466089
  H      -4.672707     -8.067745      2.190892
  H      -1.881949     -4.535600      0.954792
  H      -3.586951     -4.937772      0.754048
  H      -1.618522     -6.008238      2.848263
  H      -2.317731     -6.945347      1.503448
  C      -3.309454     -0.707577      0.178592
  C      -3.113169     -2.182753      0.527175
  C      -3.795942     -2.597638      1.839875
  C      -5.331655     -2.906707      1.752813
  N      -6.263250     -1.938351      2.277145
  C      -6.502033     -0.736935      1.573228
  C      -6.946111     -0.764714      0.240323
  C      -7.231626      0.431984     -0.413155
  C      -7.109063      1.660926      0.237640
  C      -6.695501      1.686596      1.576866
  S      -6.541586      3.187082      2.503885
  C      -6.386174      0.489828      2.236225
  C      -9.263722     -5.991945      6.065670
  C      -8.122535     -6.381627      5.125154
  C      -7.167282     -5.210236      4.869835
  C      -7.871996     -3.909440      4.399720
  N      -7.570542     -2.894012      5.448818
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  C      -0.702352     -5.808117      8.017074
  C      -1.104451     -4.643893      7.109062
  C      -2.591664     -4.467491      6.712110
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  N      -4.946930     -4.845915      7.382078
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  C      -5.518469     -7.257712      7.505393
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  C      -7.555834     -6.646879      9.327254
  S      -8.876253     -6.159273     10.394493
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  H      -2.757601     -0.455226     -0.737510
  H      -2.935444     -0.060995      0.986404
  H      -4.365095     -0.455936      0.013169
  H      -2.033908     -2.374858      0.630112
  H      -3.469685     -2.814169     -0.302349
  H      -3.681168     -1.758739      2.547460
  H      -5.704988     -3.203172      0.758585
  H      -5.378513     -3.869038      2.320425
  H      -6.038439     -1.715355      3.247043
  H      -7.063743     -1.716297     -0.278964
  H      -7.567257      0.411384     -1.451454
  H      -7.344760      2.587103     -0.287402
  H      -6.864203      4.019926      1.487449
  H      -6.089321      0.502074      3.287415
  H      -9.847005     -6.878942      6.331415
  H      -9.949939     -5.266965      5.608236
  H      -8.880366     -5.557403      6.999705
  H      -8.535372     -6.761788      4.177365
  H      -7.555977     -7.203788      5.585271
  H      -6.730054     -4.970396      5.848122
  H      -8.934492     -3.999839      4.156827
  H      -7.355885     -3.603519      3.476406
  H      -6.617674     -3.160710      5.664955
  H      -9.406898     -2.123998      3.845139
  H     -10.277937      0.059640      3.314808
  H      -9.317227      2.098070      4.465687
  H      -8.022946      3.205773      5.960120
  H      -6.393758     -0.296411      6.506392
  H      -0.984851     -6.792453      7.621493
  H      -1.138790     -5.714938      9.020601
  H       0.390025     -5.810894      8.139350
  H      -0.815002     -3.709125      7.614905
  H      -0.511998     -4.665332      6.180851
  H      -2.687515     -3.402468      6.461154
  H      -3.269168     -5.711015      8.391162
  H      -3.448010     -3.959362      8.643115
  H      -4.668613     -5.006096      6.405346
  H      -4.727538     -7.495461      6.793202
  H      -6.145415     -9.310026      7.745233
  H      -7.951651     -8.779100      9.351887
  H      -9.308143     -7.407803     10.686012
  H      -6.909100     -4.585845      9.082382
  N      -4.696694     -3.007634      4.867004
  N      -5.059171     -1.955730      5.548967
  H      -4.354763     -1.355144      5.973289
  H      -6.100943     -1.806805      5.642301
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.952886149252
  N      -3.156675     -3.790025      2.499508
  C      -2.799898     -4.828684      1.513427
  C      -2.517867     -6.139309      2.216641
  N      -3.647684     -6.468799      3.130001
  C      -4.830345     -6.999599      2.421039
  C      -6.065073     -6.784608      3.278628
  N      -5.968073     -5.521512      4.012085
  Mo     -4.220651     -4.523158      4.063294
  N      -2.988031     -5.196414      5.468327
  C      -2.445168     -6.551275      5.299811
  C      -3.219738     -7.344932      4.252400
  H      -2.498331     -7.107375      6.249795
  H      -1.375655     -6.491211      5.030544
  H      -4.131913     -7.766253      4.695145
  H      -2.611488     -8.181130      3.868759
  H      -6.946675     -6.783530      2.614022
  H      -6.206832     -7.631995      3.971567
  H      -4.915819     -6.457826      1.469472
  H      -4.688628     -8.068349      2.187337
  H      -1.890724     -4.547866      0.954732
  H      -3.595090     -4.952224      0.753477
  H      -1.625129     -6.024547      2.847594
  H      -2.329947     -6.960163      1.505053
  C      -3.271734     -0.703217      0.204206
  C      -3.086805     -2.182984      0.540247
  C      -3.784697     -2.602622      1.842986
  C      -5.323994     -2.889941      1.735128
  N      -6.246833     -1.914328      2.260633
  C      -6.490061     -0.716236      1.555633
  C      -6.915410     -0.744898      0.216494
  C      -7.204444      0.450338     -0.438131
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  C      -6.709228      1.705793      1.561401
  S      -6.584764      3.206138      2.493109
  C      -6.395560      0.511111      2.222190
  C      -9.257251     -5.987876      6.078396
  C      -8.123329     -6.373455      5.127896
  C      -7.163202     -5.203008      4.877797
  C      -7.870683     -3.903669      4.414463
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  C      -8.941509     -1.281257      4.301113
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  C      -7.906351      0.885922      5.511887
  S      -7.206179      2.278224      6.390725
  C      -7.240145     -0.323565      5.785493
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  C      -2.582917     -4.480455      6.711500
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  N      -4.929143     -4.858100      7.402225
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  C      -5.517198     -7.265559      7.519832
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  C      -7.549916     -6.647066      9.344199
  S      -8.866219     -6.155464     10.414597
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  H      -2.711551     -0.444848     -0.705101
  H      -2.900246     -0.066684      1.021121
  H      -4.324908     -0.444410      0.033010
  H      -2.009636     -2.383740      0.648833
  H      -3.441316     -2.804041     -0.297998
  H      -3.669347     -1.771197      2.559052
  H      -5.690952     -3.168588      0.733697
  H      -5.399267     -3.856193      2.291710
  H      -6.032070     -1.696590      3.233448
  H      -7.017018     -1.695885     -0.307125
  H      -7.526089      0.428174     -1.480830
  H      -7.343043      2.603753     -0.309645
  H      -6.900462      4.037430      1.473257
  H      -6.112127      0.524685      3.277091
  H      -9.841819     -6.874399      6.339900
  H      -9.944298     -5.256444      5.632540
  H      -8.865789     -5.563357      7.013670
  H      -8.542354     -6.745127      4.179549
  H      -7.556965     -7.200142      5.580084
  H      -6.730792     -4.972018      5.860880
  H      -8.936548     -4.009274      4.191247
  H      -7.375193     -3.591896      3.481053
  H      -6.634653     -3.140179      5.701041
  H      -9.417659     -2.144154      3.841084
  H     -10.292371      0.036741      3.289776
  H      -9.355064      2.083115      4.445759
  H      -8.086362      3.204861      5.951251
  H      -6.437756     -0.296658      6.519885
  H      -0.953340     -6.798144      7.591319
  H      -1.097621     -5.726695      8.996216
  H       0.422316     -5.811620      8.098226
  H      -0.799338     -3.714161      7.594465
  H      -0.509230     -4.662430      6.153256
  H      -2.689774     -3.415464      6.464771
  H      -3.243003     -5.733441      8.393357
  H      -3.417334     -3.982113      8.652673
  H      -4.660716     -5.020539      6.423199
  H      -4.727870     -7.505663      6.806654
  H      -6.164374     -9.313319      7.745096
  H      -7.967346     -8.775204      9.352981
  H      -9.310619     -7.402199     10.694578
  H      -6.884772     -4.590423      9.111628
  N      -4.689345     -3.005735      4.861308
  N      -5.045092     -1.946195      5.533745
  H      -4.339933     -1.341655      5.951061
  H      -6.083118     -1.796187      5.632438
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.962380670187
  N      -3.167125     -3.808112      2.497322
  C      -2.807908     -4.844728      1.511946
  C      -2.524644     -6.153713      2.217809
  N      -3.654324     -6.478532      3.132335
  C      -4.839813     -7.002299      2.422837
  C      -6.072081     -6.784736      3.283261
  N      -5.968377     -5.522597      4.018663
  Mo     -4.222801     -4.529595      4.067326
  N      -2.988878     -5.208520      5.469578
  C      -2.451967     -6.565600      5.301218
  C      -3.231315     -7.355808      4.255233
  H      -2.506132     -7.120869      6.251861
  H      -1.382403     -6.510573      5.030900
  H      -4.145524     -7.771365      4.699146
  H      -2.628280     -8.196353      3.872639
  H      -6.955995     -6.778953      2.622204
  H      -6.213318     -7.632363      3.975759
  H      -4.924723     -6.456078      1.473845
  H      -4.702360     -8.070790      2.185441
  H      -1.899544     -4.561537      0.953266
  H      -3.602939     -4.969963      0.751935
  H      -1.630247     -6.040108      2.846479
  H      -2.340184     -6.976188      1.507033
  C      -3.235946     -0.702241      0.226762
  C      -3.062299     -2.185836      0.552400
  C      -3.775686     -2.610170      1.845070
  C      -5.317448     -2.876752      1.717205
  N      -6.230452     -1.893784      2.247093
  C      -6.479597     -0.695085      1.548671
  C      -6.893065     -0.714573      0.205414
  C      -7.187759      0.484203     -0.440338
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  C      -6.400975      0.527865      2.226452
  C      -9.251489     -5.984399      6.093675
  C      -8.124383     -6.366915      5.133454
  C      -7.159791     -5.197931      4.885734
  C      -7.869746     -3.900913      4.424350
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  C      -9.478056     -0.057480      3.952871
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  C      -7.948959      0.886581      5.492518
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  C      -1.076671     -4.651925      7.068390
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  N      -4.911520     -4.870903      7.420601
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  S      -8.853038     -6.145055     10.437901
  C      -6.709366     -5.636292      8.855986
  H      -2.666694     -0.439353     -0.675589
  H      -2.867973     -0.074438      1.052016
  H      -4.286352     -0.436662      0.048517
  H      -1.987322     -2.394696      0.667821
  H      -3.413925     -2.797473     -0.294018
  H      -3.660246     -1.786075      2.569359
  H      -5.677569     -3.136740      0.708690
  H      -5.420597     -3.846281      2.262621
  H      -6.021798     -1.684330      3.222663
  H      -6.982725     -1.660979     -0.328452
  H      -7.500992      0.468317     -1.485750
  H      -7.348818      2.635010     -0.293209
  H      -6.932566      4.056196      1.506939
  H      -6.123493      0.535522      3.283167
  H      -9.837850     -6.871874      6.352560
  H      -9.939614     -5.247533      5.658403
  H      -8.852357     -5.568321      7.029611
  H      -8.549444     -6.731778      4.185231
  H      -7.558284     -7.197293      5.579215
  H      -6.731586     -4.972859      5.872521
  H      -8.937812     -4.022415      4.218076
  H      -7.391616     -3.586757      3.482027
  H      -6.655602     -3.118152      5.732932
  H      -9.424853     -2.168836      3.818244
  H     -10.298317      0.010423      3.237480
  H      -9.384374      2.066423      4.390816
  H      -8.141277      3.207644      5.905655
  H      -6.489817     -0.297122      6.521102
  H      -0.921755     -6.801989      7.561118
  H      -1.058021     -5.736362      8.971406
  H       0.453585     -5.809505      8.057944
  H      -0.785473     -3.717281      7.573704
  H      -0.506745     -4.658160      6.125849
  H      -2.693128     -3.428199      6.466866
  H      -3.217030     -5.755396      8.393740
  H      -3.387354     -4.004538      8.660545
  H      -4.652917     -5.036412      6.439416
  H      -4.728839     -7.518520      6.822461
  H      -6.183144     -9.316706      7.752824
  H      -7.981321     -8.767813      9.362620
  H      -9.310471     -7.388763     10.710206
  H      -6.858758     -4.592724      9.138855
  N      -4.684462     -3.005586      4.853990
  N      -5.034390     -1.936014      5.511604
  H      -4.329121     -1.325965      5.920714
  H      -6.069965     -1.784902      5.613016
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.971315298938
  N      -3.178778     -3.821547      2.495282
  C      -2.815725     -4.855405      1.510067
  C      -2.530568     -6.163018      2.217753
  N      -3.659968     -6.484225      3.133111
  C      -4.848289     -7.000693      2.422619
  C      -6.078786     -6.782061      3.285168
  N      -5.969969     -5.521650      4.023821
  Mo     -4.225587     -4.533888      4.070899
  N      -2.990277     -5.218103      5.470133
  C      -2.457909     -6.576764      5.301145
  C      -3.241355     -7.363482      4.255760
  H      -2.512789     -7.132020      6.251942
  H      -1.388334     -6.525621      5.029946
  H      -4.157371     -7.774111      4.700474
  H      -2.643040     -8.207668      3.873591
  H      -6.964274     -6.771865      2.626602
  H      -6.219676     -7.630721      3.976306
  H      -4.932615     -6.449272      1.476662
  H      -4.715061     -8.068688      2.180591
  H      -1.908236     -4.568933      0.951827
  H      -3.610274     -4.982737      0.749762
  H      -1.634765     -6.050055      2.844419
  H      -2.348918     -6.986578      1.507374
  C      -3.206969     -0.699019      0.247609
  C      -3.041235     -2.185378      0.564730
  C      -3.769677     -2.614329      1.847287
  C      -5.312332     -2.862575      1.699053
  N      -6.217190     -1.871922      2.228742
  C      -6.467074     -0.676664      1.527754
  C      -6.860702     -0.697530      0.178364
  C      -7.155107      0.499472     -0.470840
  C      -7.091842      1.723220      0.197072
  C      -6.726532      1.742641      1.550682
  S      -6.648165      3.235962      2.498922
  C      -6.406472      0.547423      2.206543
  C      -9.246965     -5.987036      6.104792
  C      -8.125660     -6.362549      5.134299
  C      -7.158306     -5.193486      4.891979
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  N      -7.626278     -2.873379      5.482793
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  C      -7.989927      0.882621      5.514167
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  C      -7.535235     -6.640777      9.383490
  S      -8.840115     -6.133192     10.460206
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  H      -2.628996     -0.431737     -0.647868
  H      -2.844449     -0.077915      1.080336
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  H      -6.017075     -1.666549      3.206485
  H      -6.936319     -1.643758     -0.358003
  H      -7.453409      0.481341     -1.520613
  H      -7.334786      2.648976     -0.325361
  H      -6.950859      4.072328      1.479281
  H      -6.142068      0.557707      3.266597
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  H      -9.936589     -5.244331      5.681794
  H      -8.841408     -5.581575      7.042782
  H      -8.555818     -6.718440      4.185000
  H      -7.559270     -7.197314      5.571531
  H      -6.734047     -4.975042      5.882433
  H      -8.941122     -4.034790      4.242589
  H      -7.408697     -3.577960      3.486567
  H      -6.681160     -3.103858      5.769795
  H      -9.433957     -2.180753      3.802696
  H     -10.301289      0.005997      3.215961
  H      -9.408528      2.057229      4.386245
  H      -8.185938      3.201522      5.922593
  H      -6.547829     -0.317489      6.552605
  H      -0.891149     -6.802264      7.531487
  H      -1.022209     -5.743376      8.947455
  H       0.482016     -5.802568      8.020453
  H      -0.775805     -3.716819      7.555512
  H      -0.505777     -4.649650      6.100968
  H      -2.699334     -3.438606      6.469448
  H      -3.193435     -5.776688      8.392055
  H      -3.361027     -4.026739      8.667922
  H      -4.646619     -5.052464      6.453639
  H      -4.730869     -7.532633      6.837485
  H      -6.201651     -9.320611      7.762488
  H      -7.994663     -8.760215      9.374255
  H      -9.310352     -7.373324     10.726973
  H      -6.834458     -4.594940      9.162722
  N      -4.682579     -3.006222      4.850980
  N      -5.028930     -1.931524      5.501315
  H      -4.323644     -1.318656      5.906178
  H      -6.062251     -1.780610      5.607210
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7184.979989996709
  N      -3.191068     -3.838764      2.491034
  C      -2.822930     -4.870627      1.506533
  C      -2.534233     -6.176060      2.217527
  N      -3.662676     -6.493759      3.134957
  C      -4.854004     -7.004891      2.424690
  C      -6.083170     -6.785403      3.289396
  N      -5.971080     -5.525250      4.029733
  Mo     -4.228056     -4.541259      4.073433
  N      -2.990413     -5.229147      5.469965
  C      -2.460639     -6.589106      5.301827
  C      -3.247332     -7.374124      4.257860
  H      -2.515567     -7.143544      6.253270
  H      -1.391151     -6.540760      5.029608
  H      -4.164723     -7.780186      4.703902
  H      -2.653092     -8.221672      3.876642
  H      -6.969872     -6.772964      2.632822
  H      -6.223027     -7.634355      3.980173
  H      -4.938615     -6.449509      1.481162
  H      -4.724315     -8.072532      2.179144
  H      -1.916670     -4.580472      0.948443
  H      -3.616908     -5.001692      0.746158
  H      -1.636948     -6.061762      2.841720
  H      -2.354759     -7.001392      1.508536
  C      -3.178056     -0.700050      0.266009
  C      -3.021480     -2.188987      0.575471
  C      -3.765463     -2.622700      1.847661
  C      -5.308867     -2.853205      1.680653
  N      -6.203958     -1.855700      2.216635
  C      -6.459053     -0.656958      1.526807
  C      -6.846042     -0.661776      0.175108
  C      -7.146095      0.542137     -0.458884
  C      -7.094913      1.757358      0.225581
  C      -6.734440      1.760650      1.580770
  S      -6.669544      3.240995      2.550462
  C      -6.408177      0.559267      2.221240
  C      -9.241492     -5.987222      6.120533
  C      -8.126529     -6.359904      5.141049
  C      -7.156437     -5.192039      4.898837
  C      -7.872799     -3.899681      4.438470
  N      -7.648889     -2.867144      5.481109
  C      -7.950771     -1.513977      5.162526
  C      -8.999052     -1.329771      4.234245
  C      -9.502972     -0.084165      3.895024
  C      -9.025565      1.052428      4.532698
  C      -8.025773      0.882767      5.486422
  S      -7.383407      2.279503      6.390373
  C      -7.389316     -0.337186      5.789178
  C      -0.586036     -5.817529      7.903496
  C      -1.054446     -4.651184      7.030615
  C      -2.560838     -4.513328      6.703858
  C      -3.473649     -4.844324      7.925036
  N      -4.879712     -4.896911      7.451702
  C      -5.681351     -5.957654      7.974219
  C      -5.515807     -7.292509      7.572501
  C      -6.349461     -8.284311      8.091909
  C      -7.355306     -7.965149      9.003200
  C      -7.527365     -6.632155      9.406150
  S      -8.825200     -6.112958     10.485796
  C      -6.677771     -5.637940      8.899066
  H      -2.590436     -0.429519     -0.622192
  H      -2.821280     -0.085384      1.105999
  H      -4.223399     -0.425362      0.071440
  H      -1.950677     -2.409807      0.707326
  H      -3.363743     -2.785556     -0.285517
  H      -3.652514     -1.811797      2.586687
  H      -5.652320     -3.076872      0.658392
  H      -5.463022     -3.827211      2.204801
  H      -6.006688     -1.660228      3.196802
  H      -6.914105     -1.600645     -0.374899
  H      -7.440226      0.535693     -1.510005
  H      -7.342532      2.688375     -0.285169
  H      -6.972710      4.090277      1.541756
  H      -6.143491      0.558609      3.281426
  H      -9.830436     -6.879083      6.371969
  H      -9.932311     -5.240111      5.707157
  H      -8.829212     -5.588938      7.058808
  H      -8.562154     -6.710451      4.192310
  H      -7.560223     -7.197575      5.572884
  H      -6.735538     -4.975493      5.891567
  H      -8.942452     -4.052090      4.256895
  H      -7.421071     -3.580223      3.484031
  H      -6.709853     -3.084718      5.798495
  H      -9.438126     -2.202991      3.759965
  H     -10.295460     -0.011603      3.149106
  H      -9.422202      2.043044      4.316765
  H      -8.217607      3.204199      5.864588
  H      -6.610576     -0.329091      6.551082
  H      -0.860551     -6.802092      7.502830
  H      -0.987220     -5.749224      8.923789
  H       0.509951     -5.794797      7.984278
  H      -0.766224     -3.715994      7.536808
  H      -0.504074     -4.641978      6.076404
  H      -2.704892     -3.449743      6.470449
  H      -3.169534     -5.797236      8.389638
  H      -3.333878     -4.048073      8.673695
  H      -4.639770     -5.070122      6.467076
  H      -4.734092     -7.547942      6.856000
  H      -6.221538     -9.322768      7.780275
  H      -8.007948     -8.746934      9.394049
  H      -9.308837     -7.348465     10.750136
  H      -6.808448     -4.592757      9.185419
  N      -4.681980     -3.008900      4.843438
  N      -5.025097     -1.923615      5.476743
  H      -4.320539     -1.304833      5.873713
  H      -6.055556     -1.773041      5.582441
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7185.003827548820
  N      -3.222717     -3.864451      2.473152
  C      -2.840561     -4.893433      1.484196
  C      -2.539169     -6.199628      2.198870
  N      -3.661613     -6.519040      3.130367
  C      -4.863247     -7.031926      2.430523
  C      -6.089178     -6.808938      3.306538
  N      -5.971401     -5.541246      4.046452
  Mo     -4.235902     -4.554415      4.077176
  N      -2.982275     -5.250283      5.465904
  C      -2.447962     -6.613236      5.295249
  C      -3.237193     -7.400175      4.254387
  H      -2.495507     -7.166790      6.248165
  H      -1.380554     -6.562228      5.017373
  H      -4.150420     -7.806009      4.707393
  H      -2.645490     -8.247254      3.870539
  H      -6.980788     -6.797324      2.658983
  H      -6.222398     -7.655481      4.001465
  H      -4.956191     -6.476328      1.489093
  H      -4.735529     -8.098939      2.184440
  H      -1.937264     -4.594957      0.925897
  H      -3.634103     -5.028512      0.723894
  H      -1.639154     -6.080302      2.817384
  H      -2.359469     -7.024893      1.490156
  C      -3.103500     -0.705505      0.287508
  C      -2.975025     -2.199521      0.580616
  C      -3.764902     -2.634253      1.824003
  C      -5.307548     -2.817402      1.583471
  N      -6.212259     -1.821656      2.102308
  C      -6.451279     -0.605668      1.452591
  C      -6.757586     -0.555575      0.080941
  C      -7.046345      0.667943     -0.511282
  C      -7.064498      1.849740      0.232650
  C      -6.786449      1.797802      1.608352
  S      -6.816500      3.231798      2.653235
  C      -6.471071      0.578385      2.209357
  C      -9.217672     -6.022830      6.162899
  C      -8.117545     -6.380168      5.163718
  C      -7.154151     -5.204336      4.924468
  C      -7.880317     -3.914746      4.468603
  N      -7.727492     -2.864234      5.508292
  C      -8.048524     -1.517629      5.171168
  C      -9.024680     -1.362209      4.163121
  C      -9.494782     -0.106284      3.813001
  C      -9.058144      1.022624      4.497311
  C      -8.131831      0.859103      5.523951
  S      -7.551132      2.237351      6.485187
  C      -7.545293     -0.379922      5.837733
  C      -0.531455     -5.840356      7.839601
  C      -1.023100     -4.672978      6.990236
  C      -2.533057     -4.540498      6.701011
  C      -3.417011     -4.876340      7.940647
  N      -4.837597     -4.912501      7.504875
  C      -5.667122     -5.948093      8.036822
  C      -5.547938     -7.285918      7.626439
  C      -6.410186     -8.251960      8.144367
  C      -7.399085     -7.904770      9.064660
  C      -7.525338     -6.569527      9.477785
  S      -8.797279     -6.015348     10.572194
  C      -6.648397     -5.600654      8.969617
  H      -2.486496     -0.430244     -0.579305
  H      -2.764374     -0.107029      1.145256
  H      -4.140052     -0.415242      0.066639
  H      -1.911497     -2.437986      0.739887
  H      -3.299623     -2.779247     -0.297061
  H      -3.661008     -1.837698      2.576529
  H      -5.587219     -3.000200      0.535963
  H      -5.538097     -3.789059      2.076340
  H      -6.072527     -1.662787      3.105128
  H      -6.773369     -1.467443     -0.519930
  H      -7.277570      0.702530     -1.578657
  H      -7.302912      2.796168     -0.247213
  H      -7.076521      4.117668      1.670108
  H      -6.272962      0.535994      3.288643
  H      -9.801536     -6.920828      6.414670
  H      -9.918171     -5.273712      5.773271
  H      -8.784870     -5.636305      7.097312
  H      -8.560072     -6.723669      4.216792
  H      -7.544223     -7.217950      5.584240
  H      -6.740057     -4.996466      5.922006
  H      -8.938784     -4.097494      4.289255
  H      -7.443251     -3.592609      3.519716
  H      -6.807506     -3.037389      5.911653
  H      -9.416366     -2.231810      3.648813
  H     -10.227952     -0.011123      3.011581
  H      -9.438686      2.013723      4.254104
  H      -8.337113      3.169858      5.900548
  H      -6.821335     -0.423612      6.650490
  H      -0.812157     -6.822917      7.436483
  H      -0.908584     -5.780281      8.867000
  H       0.564714     -5.813251      7.896421
  H      -0.725404     -3.739876      7.497678
  H      -0.498517     -4.653282      6.025652
  H      -2.688120     -3.477293      6.481796
  H      -3.110617     -5.828420      8.398424
  H      -3.250727     -4.079867      8.682542
  H      -4.637411     -5.107446      6.519849
  H      -4.779425     -7.562865      6.902736
  H      -6.317969     -9.291974      7.824269
  H      -8.074193     -8.666365      9.454312
  H      -9.318502     -7.235104     10.828434
  H      -6.744305     -4.553069      9.262326
  N      -4.662980     -3.014311      4.818800
  N      -4.990256     -1.909521      5.422004
  H      -4.282534     -1.283893      5.802061
  H      -6.006557     -1.757986      5.537093
105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca E -7185.016982915102
  N      -3.281946     -3.898496      2.457842
  C      -2.886552     -4.924421      1.479503
  C      -2.565937     -6.216911      2.203189
  N      -3.675833     -6.537843      3.139569
  C      -4.878983     -7.055665      2.453208
  C      -6.100512     -6.834720      3.334626
  N      -5.989485     -5.564563      4.066036
  Mo     -4.266062     -4.578394      4.072878
  N      -2.997736     -5.254229      5.453776
  C      -2.454711     -6.607550      5.290790
  C      -3.243282     -7.405845      4.264084
  H      -2.492619     -7.152529      6.248283
  H      -1.389796     -6.549997      5.005238
  H      -4.152291     -7.811826      4.725845
  H      -2.649934     -8.252742      3.883352
  H      -6.995513     -6.831859      2.692878
  H      -6.222425     -7.677138      4.034846
  H      -4.981235     -6.502548      1.510993
  H      -4.749575     -8.122980      2.210225
  H      -1.987762     -4.617240      0.919981
  H      -3.678382     -5.074946      0.721844
  H      -1.665060     -6.082561      2.816091
  H      -2.381570     -7.045383      1.500273
  C      -3.098279     -0.710307      0.331467
  C      -2.980391     -2.209816      0.598599
  C      -3.803798     -2.661968      1.813793
  C      -5.336066     -2.813682      1.509403
  N      -6.232243     -1.804121      2.032528
  C      -6.425338     -0.558124      1.423376
  C      -6.666121     -0.434824      0.046529
  C      -6.901922      0.820990     -0.509209
  C      -6.927479      1.964116      0.273402
  C      -6.714171      1.840411      1.652261
  S      -6.752823      3.225057      2.738430
  C      -6.457129      0.588937      2.222077
  C      -9.201399     -6.050594      6.217145
  C      -8.117660     -6.405236      5.199681
  C      -7.163974     -5.224525      4.951649
  C      -7.911907     -3.948771      4.494097
  N      -7.823364     -2.881481      5.522872
  C      -8.163899     -1.547180      5.152069
  C      -9.061549     -1.414343      4.065270
  C      -9.490282     -0.139984      3.693408
  C      -9.083738      0.994506      4.409853
  C      -8.230678      0.838928      5.508030
  S      -7.695470      2.209636      6.506682
  C      -7.708301     -0.428212      5.848447
  C      -0.470720     -5.798162      7.764153
  C      -1.017912     -4.636437      6.927783
  C      -2.540954     -4.535355      6.675780
  C      -3.394460     -4.887839      7.934732
  N      -4.822050     -4.928479      7.531450
  C      -5.647540     -5.958285      8.083184
  C      -5.541525     -7.293146      7.667329
  C      -6.404601     -8.251809      8.190338
  C      -7.379867     -7.900717      9.122870
  C      -7.490842     -6.569801      9.545346
  S      -8.742779     -6.012520     10.660873
  C      -6.614828     -5.607984      9.029802
  H      -2.460279     -0.418792     -0.514668
  H      -2.779251     -0.129091      1.210585
  H      -4.127537     -0.414692      0.090772
  H      -1.923125     -2.453942      0.780199
  H      -3.285016     -2.772841     -0.298826
  H      -3.712019     -1.878947      2.584440
  H      -5.554033     -2.955066      0.438834
  H      -5.624973     -3.781270      1.967511
  H      -6.125028     -1.691516      3.039672
  H      -6.672730     -1.314413     -0.589397
  H      -7.082754      0.909377     -1.580602
  H      -7.120412      2.936739     -0.180340
  H      -6.935003      4.159311      1.774488
  H      -6.309458      0.494265      3.303865
  H      -9.780689     -6.948172      6.477940
  H      -9.909912     -5.301148      5.842764
  H      -8.748598     -5.666077      7.142731
  H      -8.571641     -6.749123      4.258030
  H      -7.535411     -7.240606      5.612682
  H      -6.749183     -5.011124      5.947029
  H      -8.974202     -4.169486      4.321574
  H      -7.486314     -3.619602      3.531387
  H      -6.931869     -3.003307      6.007807
  H      -9.410535     -2.288392      3.519267
  H     -10.161290     -0.025617      2.837277
  H      -9.436354      1.990994      4.128043
  H      -8.413095      3.161112      5.858677
  H      -7.044888     -0.524224      6.716040
  H      -0.736537     -6.785585      7.367803
  H      -0.821512     -5.754382      8.807043
  H       0.628989     -5.743160      7.788704
  H      -0.727815     -3.699306      7.427997
  H      -0.519208     -4.600128      5.944558
  H      -2.724900     -3.473914      6.458818
  H      -3.070073     -5.840156      8.387941
  H      -3.219843     -4.090415      8.671763
  H      -4.659266     -5.139135      6.540571
  H      -4.784128     -7.572727      6.932778
  H      -6.323630     -9.288694      7.864791
  H      -8.056437     -8.656463      9.515368
  H      -9.275322     -7.227467     10.907630
  H      -6.701126     -4.562692      9.327593
  N      -4.669090     -3.026281      4.788908
  N      -4.980511     -1.901817      5.354053
  H      -4.269250     -1.263061      5.710212
  H      -5.983349     -1.751065      5.478551
