116
Coordinates from ORCA-job /scratch/magstr/orcajob__5655477-FzId/orca
  N   -3.59808214403440     -3.11503011925342      2.38023732767658
  C   -3.24812015559295     -3.99036484106081      1.25989742848835
  C   -3.01469031058436     -5.40062876207315      1.77821537777182
  N   -4.04207301660482     -5.74260289001291      2.80357259004696
  C   -5.33969676071684     -6.12649905117036      2.16796650549198
  C   -6.49781398435031     -5.87867449019798      3.12033524824748
  N   -6.28918719629450     -4.59528864194359      3.80577450587737
  Mo  -4.40853868312216     -4.00681969538322      3.96787841166970
  N   -3.25903277837195     -4.95309531591312      5.29377757581489
  C   -2.63400075453886     -6.17140398919339      4.79004428691501
  C   -3.55140877385389     -6.79305698983453      3.74324690951100
  H   -2.48618181531991     -6.91462815692061      5.59419658325333
  H   -1.62928529915370     -5.98404419346153      4.36313653324948
  H   -4.43746771344242     -7.20758100469882      4.24323040040208
  H   -3.05732299683084     -7.59916049106919      3.17290919802315
  H   -7.42092818787806     -5.89105110460459      2.51852067165338
  H   -6.59264705351438     -6.71637989513623      3.84121080659330
  H   -5.45483491177095     -5.47915501690394      1.28983882513583
  H   -5.30040557173442     -7.17643258866794      1.82864275323762
  H   -2.32467729211432     -3.65527384439583      0.75604469785721
  H   -4.04499358905468     -3.98242075454675      0.48474133825011
  H   -2.03994666611982     -5.44325874375280      2.27795069242710
  H   -3.02735655408844     -6.14784280821094      0.96542316705883
  C   -4.46747997460722     -0.85499310368227      2.77156954755560
  C   -3.37197180074588     -1.69820165698096      2.12607682491297
  C   -1.99013715227782     -1.21952043371367      2.66599723390999
  C   -0.84997009384910     -2.13660656336277      2.33845988793195
  C   -0.58726870904565     -3.23043278694001      3.17322819707716
  C   0.42268331294379     -4.14183183819606      2.87911077612217
  C   1.19874265456612     -3.97019046800826      1.73139724174593
  S   2.48292910590910     -5.14160945635718      1.36049441999413
  C   3.89553718898053     -4.45423424487042      2.19036327870543
  C   5.09097816550480     -5.18463762112125      2.10417785583678
  C   6.24156955555321     -4.71906649078568      2.74208341986180
  C   6.21895672368745     -3.52380093016735      3.47003118644165
  C   5.02876616450167     -2.80090434947862      3.55205530107340
  C   3.86851518150148     -3.25837196856910      2.92088675667007
  C   0.95036966375256     -2.88287767503287      0.88231865626923
  C   -0.06390500415563     -1.97608092228167      1.18898826005604
  C   -8.56055869954311     -4.87860199862073      4.84888198012567
  C   -7.49244545786688     -3.92693514968093      4.30235881816673
  C   -8.08138837820821     -2.91879542713985      3.25853958522984
  C   -8.31136105255225     -3.49783663388261      1.89768476776827
  C   -7.28359601208887     -3.48054944750696      0.94464192780329
  C   -7.42748349785182     -4.11890132773570     -0.28666852747681
  C   -8.62378402290173     -4.76887764315764     -0.60288061282236
  S   -8.79397661283136     -5.54668065317056     -2.19186155784717
  C   -9.13510819336119     -7.24413359452416     -1.78462762113704
  C   -9.83774399439643     -8.00606529262773     -2.73286797974000
  C   -10.08969805548983     -9.35991761098425     -2.49968955953480
  C   -9.66459873100211     -9.96190168569477     -1.31456777856790
  C   -8.96966584351404     -9.19814162910554     -0.36842645493296
  C   -8.69388953790731     -7.85044668250013     -0.60181618229856
  C   -9.68037748841645     -4.75090474712611      0.31947333187286
  C   -9.51655749506838     -4.13041309197847      1.55375064758203
  C   -4.40934318495614     -3.93152223082456      7.15600855081117
  C   -3.14059748267707     -4.66082090164309      6.71622391619147
  C   -1.92981967839877     -3.78342271661746      7.09090233811805
  C   -0.54282604539466     -4.30311451922561      6.81276132268638
  C   -0.17933088376725     -5.64250381653303      7.00432624414346
  C   1.10873534455789     -6.08812381529603      6.73594597477618
  C   2.09351684280727     -5.18709012076281      6.31052370998258
  S   3.72081528054603     -5.70411212909925      5.83530565785378
  C   4.16580497533691     -6.92654744552598      7.04766104744904
  C   3.80057643908823     -6.83046992384687      8.39545856480438
  C   4.23941723072757     -7.79734900740777      9.30310111151374
  C   5.06307963106555     -8.85246245814696      8.88941336530329
  C   5.43927480088406     -8.93835069069530      7.55144934237555
  C   4.98686559375766     -7.98890288607660      6.63061928917375
  C   1.75908585095765     -3.84170004194411      6.15328226021070
  C   0.45445724966234     -3.41935030123198      6.38614734806278
  H   -4.53627489844169     -1.10306127087029      3.84627892593497
  H   -4.25230929606630      0.22053950697901      2.69893456530852
  H   -5.44155411456532     -1.05216083672521      2.30751762664479
  H   -3.38776137105243     -1.52251942454480      1.03323747921660
  H   -2.08951220116356     -1.15482818494997      3.76236390356762
  H   -1.79553194688144     -0.20425708909693      2.28613432978754
  H   -1.20193457881494     -3.36399192323686      4.06320928383207
  H   0.62937728110549     -4.97635251394022      3.54841288606002
  H   5.11538509970517     -6.12234429033949      1.54356002211094
  H   7.16464357959605     -5.29873140287313      2.67186323147697
  H   7.12120233649285     -3.16411436644992      3.97168325232932
  H   4.99403219594603     -1.86839108915432      4.12070517029063
  H   2.94406284081672     -2.68761344886420      2.99772023292834
  H   1.56090461531613     -2.75005703932753     -0.01021443996178
  H   -0.25342707315892     -1.13127533720024      0.52244897304970
  H   -9.37189558522567     -4.30767804018075      5.32136104936734
  H   -8.12857720591197     -5.55056389591533      5.60476905935965
  H   -9.00514173444913     -5.49758963958775      4.05814164774538
  H   -7.15951601335519     -3.29260161835592      5.14336977260893
  H   -7.36207942715547     -2.09311372257101      3.17656245057932
  H   -9.01692549662795     -2.50280869397561      3.66321498732126
  H   -6.33841858333002     -2.99792192072875      1.19291355772476
  H   -6.60383687833175     -4.12936537794838     -1.00277362057790
  H   -10.19139780092389     -7.53250338478617     -3.64984351705767
  H   -10.63662569975582     -9.94435988286376     -3.24572454826186
  H   -9.87606788401429    -11.01705530594837     -1.12822248239391
  H   -8.62970687022227     -9.65780703736538      0.56103668273190
  H   -8.14220169279155     -7.26385160053288      0.13522010961057
  H   -10.62225597476499     -5.23744196526019      0.06841260077885
  H   -10.34102551064470     -4.13479922854985      2.26885076352121
  H   -5.29422351309397     -4.55397349310664      6.98267503875141
  H   -4.51739901681994     -2.99575325472540      6.57618830551095
  H   -4.37618862536919     -3.64859426222128      8.21757886688727
  H   -3.07701354190640     -5.61475145517795      7.27728119810846
  H   -2.00313434911672     -3.55374196560579      8.17005105142546
  H   -2.06009052609964     -2.82203846751160      6.56222085881639
  H   -0.92206332923060     -6.36071436962761      7.35043672847355
  H   1.35588790237403     -7.13971086759724      6.85991477916566
  H   3.17005584902208     -6.00218306299574      8.72788482852426
  H   3.94310483932162     -7.71767060873481     10.34746139570885
  H   5.40681736349595     -9.60331465108767      9.60587822037763
  H   6.07730311461743     -9.76039167048299      7.21423472511476
  H   5.26185799009820     -8.07201753324869      5.58142225865687
  H   2.51969016661727     -3.13357819485702      5.82665181930227
  H   0.20162390043136     -2.37184659958735      6.22835846307739
