98
Coordinates from ORCA-job /scratch/magstr/orcajob__5655526-IjJj/orca
  N   -3.86219463742810     -3.57323224856005      2.94361533385461
  C   -3.68258926072953     -4.36460829749008      1.73120119308664
  C   -3.18759535850591     -5.74659210841156      2.12004683102565
  N   -4.04426165706428     -6.29862472930007      3.21343700490113
  C   -5.30161874496817     -6.88623511349534      2.64473840732268
  C   -6.53125220293248     -6.44375196980321      3.43930850935151
  N   -6.37911086207155     -5.03751570700057      3.75565229174560
  Mo  -4.52337245985601     -4.61537170616777      4.54307510479426
  N   -2.80717039854006     -5.28097975604427      5.43945360435869
  C   -2.23902578115405     -6.50937139687507      4.89062396910916
  C   -3.28922466430855     -7.25271827890240      4.06960336388082
  H   -1.87479472762861     -7.20117899405563      5.66853464615969
  H   -1.35632171820049     -6.29072616216256      4.25081633612501
  H   -4.02115362075418     -7.72204963655120      4.74108360753731
  H   -2.81879806159236     -8.04195381599302      3.45274210351394
  H   -7.42470962145219     -6.64408879586343      2.81819080253958
  H   -6.64082676204545     -7.07096336373061      4.34963638897916
  H   -5.39947182819574     -6.50540203123993      1.61925216926586
  H   -5.20661911042624     -7.98382367540461      2.59368321089870
  H   -2.94962984838734     -3.92714986113793      1.03205113612195
  H   -4.63783139346833     -4.45992066069992      1.16779959568354
  H   -2.16502127492049     -5.65878037099192      2.50626978016590
  H   -3.17439522901190     -6.44052887989431      1.26071658723979
  C   -4.30088073942209     -1.57726341562712      1.48101617799571
  C   -3.74175896110257     -2.13037696803174      2.79744721653939
  C   -2.28947828108166     -1.61986289994155      3.08163290673723
  C   -1.23935354074245     -2.16329224369100      2.15868685308939
  C   -0.57664897268865     -3.36228016421186      2.46533212709079
  C   0.35106037576106     -3.91674027852436      1.58699434957368
  C   0.65084190294760     -3.28356346510830      0.37287425949592
  C   1.64811494905241     -3.87181775007348     -0.56670125777177
  Cl  3.34429684223856     -3.26113938499254     -0.22639365810694
  C   0.00600789488817     -2.07650483536271      0.06822115938020
  C   -0.92278222390396     -1.52551922819115      0.94875474309440
  C   -8.68740592851550     -4.75076448376443      4.69601341530471
  C   -7.56918222900549     -4.21171130103161      3.79528497166554
  C   -8.09260357811706     -3.90628935006035      2.35451220817903
  C   -9.05338557827644     -2.75382953192116      2.31345729520675
  C   -10.44155882074504     -2.94408253483024      2.24782883329204
  C   -11.31789289613257     -1.85997334068254      2.26347179944182
  C   -10.83106665951788     -0.54854352517522      2.34422791460176
  C   -11.76711818282219      0.61151747696647      2.36662370511161
  Cl  -12.21667544032387      1.08569433604691      4.08216735747497
  C   -9.44415970780353     -0.35020741405890      2.40550696109868
  C   -8.57235540560276     -1.43552249941659      2.39033272277309
  C   -0.61150493284496     -4.61889828974989      6.41684962369628
  C   -2.13174148318399     -4.72239113966765      6.60295271643197
  C   -2.49948550015127     -5.38616645476692      7.97700425907105
  C   -2.13284228801572     -6.83340989787045      8.14752470114740
  C   -0.82669735975750     -7.22373384683476      8.48887498157709
  C   -0.47864925171265     -8.56920618806006      8.58218277274921
  C   -1.43095235826595     -9.57174901039923      8.35043303979432
  C   -1.05465652757357    -11.01174438443614      8.42302741036101
  Cl  -0.50706737598531    -11.64694550189837      6.78831726181774
  C   -2.74532849173895     -9.18919413851247      8.04991548653185
  C   -3.09084333722402     -7.84334055588789      7.95614633528152
  H   -5.33396327772441     -1.92406366713808      1.33232281899601
  H   -4.30586863973801     -0.47738971213391      1.49910043099922
  H   -3.70972738556803     -1.89408004261765      0.61107315918486
  H   -4.34757241210689     -1.67305628339012      3.59952458307337
  H   -2.29655801904898     -0.51790020820927      3.03930019707698
  H   -2.04780691997374     -1.91548115636789      4.11503076520500
  H   -0.81650053398009     -3.87129131508435      3.40073655714637
  H   0.85367502096797     -4.85240186897270      1.84448728743629
  H   1.45087869157639     -3.59679532348828     -1.60845991313840
  H   1.71447617758105     -4.96121300432107     -0.47364150792723
  H   0.24038264157672     -1.56427920449617     -0.86802638763039
  H   -1.41450005203977     -0.58383973761403      0.69449732664030
  H   -9.52961609107850     -4.04494791116564      4.74402398192973
  H   -9.07479843307152     -5.70790223617750      4.31463871322656
  H   -8.31455938314968     -4.91703348430957      5.71553978042525
  H   -7.25500813315770     -3.23365183621436      4.20354070297887
  H   -7.20790740670803     -3.68024519058168      1.73991195871462
  H   -8.56478477070505     -4.81243702139572      1.94323817119958
  H   -10.83844060511827     -3.95957275877888      2.17844714118723
  H   -12.39598981449462     -2.02949809827686      2.21079357838058
  H   -11.32405528978153      1.51356920679380      1.93098978968839
  H   -12.71963699450264      0.38716735872689      1.87475340319916
  H   -9.04979230990161      0.66730165262140      2.46177170398971
  H   -7.49341885216441     -1.26376918175801      2.42589579109834
  H   -0.15302323158995     -4.10326848220011      7.27370832630371
  H   -0.37576472702052     -4.04821091441944      5.50779816505801
  H   -0.13894339026081     -5.60686822623058      6.33022499210749
  H   -2.50412279509563     -3.68759787045420      6.70761706205655
  H   -3.58267764536413     -5.27006889091547      8.11767540114487
  H   -2.00111381291126     -4.78761076408516      8.75813583189437
  H   -0.07206978367266     -6.45958055622605      8.68655778720403
  H   0.54555168237544     -8.85040127945616      8.83906400422105
  H   -1.89837418268725    -11.65023274184963      8.70587582921398
  H   -0.20735234089965    -11.19000357823914      9.09377393230297
  H   -3.50478800893548     -9.95779007893387      7.88667621553346
  H   -4.11981314425878     -7.56485296975943      7.72292400829056
  N   -4.89805127166499     -2.73743968677743      5.81510273836704
  H   -4.10846981740151     -2.08530780906588      5.84299988209498
  H   -5.11483045247983     -2.98088614427711      6.78677875939933
  H   -5.69963420913967     -2.19790832765709      5.47254174087010
  N   -5.42782738019536     -5.61099727943327      6.09808121946780
  N   -5.98021238547338     -6.05812660612609      6.98867344399935
