119
Coordinates from ORCA-job /scratch/magstr/orcajob__5655483-5Hdw/orca
  N   -3.65552270031456     -3.35466092447304      2.07930870881358
  C   -3.56135922937447     -4.33611662482927      0.99776148783605
  C   -3.40082094138131     -5.73840687098260      1.55899692471193
  N   -4.34569231740952     -5.95097699806879      2.68016916270887
  C   -5.73675262169677     -6.16442777690976      2.21582308232873
  C   -6.71682644932460     -5.72023209984681      3.29017383302703
  N   -6.27873198879272     -4.43941781208786      3.85355603816405
  Mo  -4.35313025632759     -4.02098756590705      3.85040841894933
  N   -3.33128476705056     -5.20167357117729      5.12345344979378
  C   -2.82702718886800     -6.44129948217902      4.53458336170592
  C   -3.87759253809884     -7.02147513385332      3.59388362740880
  H   -2.60288348561563     -7.19063945574577      5.31322802294264
  H   -1.87801547855335     -6.27740252168099      3.98799922884016
  H   -4.74218586393359     -7.35264974324543      4.18622955668550
  H   -3.49755799703677     -7.88385359948711      3.01503362475743
  H   -7.71349297641453     -5.64475384034735      2.82496092952330
  H   -6.79835365545302     -6.49250123492019      4.08137216550885
  H   -5.88213411375157     -5.54254936659834      1.32319047817306
  H   -5.89648585039446     -7.21935907086765      1.92790876774158
  H   -2.68175608890938     -4.13204155237242      0.36094846964622
  H   -4.44475286843321     -4.28710546734982      0.32435145385518
  H   -2.38635728322264     -5.83876952594929      1.96873882053119
  H   -3.53934958530565     -6.50831662582585      0.77740384958186
  C   -4.36381735865752     -0.97779218009458      1.70050822901166
  C   -3.23528773086373     -2.01077689220391      1.65734977433006
  C   -1.98607568928258     -1.53527385394564      2.44175027308894
  C   -0.84309010331218     -2.49682385616040      2.28192807629766
  C   -0.63892619615386     -3.52212846772314      3.21502405444595
  C   0.37677182501326     -4.46231531935018      3.04238512407106
  C   1.20506968618250     -4.39794390860290      1.91610471645658
  S   2.48444000262966     -5.61315317301011      1.68670468153527
  C   3.91033063786812     -4.83721866535004      2.40975339251906
  C   5.07108713956528     -5.62204383703546      2.50490538697002
  C   6.22987849555227     -5.08865426262036      3.06571529438764
  C   6.25079341667778     -3.77124245083676      3.53428466514252
  C   5.09622117725634     -2.99355012253535      3.43409232809246
  C   3.92768541166485     -3.51703308014855      2.87745991537929
  C   1.00825265939919     -3.38391098084838      0.96826364898260
  C   -0.00264157008283     -2.44231209677283      1.15913385672681
  C   -8.41296655557272     -4.37646496838577      5.17124834905936
  C   -7.31875016519442     -3.58716802578955      4.44885668980489
  C   -7.90079249870163     -2.56438541623724      3.42413800743124
  C   -8.43834501815774     -3.18200889757946      2.16797846193979
  C   -7.58740611768507     -3.38421396361068      1.06780454755031
  C   -8.02939565442413     -4.04401320467027     -0.07489149101907
  C   -9.34235841456768     -4.53140521267820     -0.13804351501501
  S   -9.91365390055345     -5.39754438884568     -1.58256215049139
  C   -9.02482641854645     -6.93491910663172     -1.48617015918744
  C   -8.96136348653584     -7.70930216989332     -2.65606476661319
  C   -8.31474690655275     -8.94454297302250     -2.64152993204679
  C   -7.71490187716110     -9.41820582591010     -1.47101346542945
  C   -7.77692745517703     -8.64394945997853     -0.30994556739092
  C   -8.43153188436151     -7.41143086416579     -0.30896786894802
  C   -10.21404072642189     -4.30698791929994      0.93431327693274
  C   -9.76393359160357     -3.62948399037036      2.06912987598296
  C   -4.63907707621123     -4.85413815732344      7.21285837007527
  C   -3.26021355386939     -5.11274254351468      6.59001250957261
  C   -2.23695596450557     -4.07619532961011      7.08923216350288
  C   -0.78076719970048     -4.37062518565058      6.81298323457710
  C   -0.24752758398755     -5.66924261119223      6.84250870764267
  C   1.10962104550402     -5.90824075541710      6.63684020927703
  C   1.98985567572980     -4.83711379775974      6.42896932930428
  S   3.71266705709386     -5.05731120795439      6.07000451731817
  C   4.21143952716960     -6.40055277749225      7.11627660155410
  C   3.73842626813633     -6.57298215074125      8.42586034884906
  C   4.23027916516423     -7.61538546047998      9.20997080102021
  C   5.21031360964595     -8.47976769485641      8.71089561919965
  C   5.69139418037040     -8.29793363411150      7.41234856619106
  C   5.18913033154995     -7.27117658318720      6.61114483633515
  C   1.47666297882637     -3.53332905254484      6.40238191008928
  C   0.11065529325447     -3.31481489697005      6.57649130286199
  H   -4.78865195817070     -0.88092842464147      2.70822274378713
  H   -4.00106002694052      0.01217894989346      1.38454149369754
  H   -5.17782094241800     -1.27374462926636      1.02391609034903
  H   -2.91948761722726     -2.08559844690344      0.59990453099557
  H   -2.25957699276798     -1.44467860207527      3.50401133973912
  H   -1.70008400611916     -0.53815490292046      2.07034581014878
  H   -1.27828423046183     -3.58559598620592      4.09610340123313
  H   0.54218128552722     -5.23815190041733      3.79130505427766
  H   5.05875180860997     -6.65443357936150      2.14857704325306
  H   7.12404219183364     -5.71092072100417      3.13943362441725
  H   7.15786905329288     -3.35825596554908      3.97746578730434
  H   5.09580266561098     -1.96532111257839      3.80121543312410
  H   3.02894518795342     -2.90344165508208      2.81472627811268
  H   1.65761615588167     -3.33256905895249      0.09292280998551
  H   -0.14545189087831     -1.65051654291043      0.41889530411238
  H   -9.08008251905677     -3.68256920427980      5.70264445415570
  H   -7.97130766067645     -5.05891659178397      5.91157072252729
  H   -9.02932408260065     -4.96961214247134      4.48148477767119
  H   -6.80390770140967     -2.96777885321107      5.19848177161506
  H   -7.08428706351951     -1.87301102732112      3.16853339145394
  H   -8.68506116643685     -1.98187301089285      3.93393007711024
  H   -6.55718821748027     -3.02763031713115      1.12486650208008
  H   -7.35683883109520     -4.19875091554227     -0.92038244020684
  H   -9.41337047572955     -7.33688679050874     -3.57765661193637
  H   -8.27132300929680     -9.53610256039838     -3.55788156399151
  H   -7.20272339657649    -10.38127645035245     -1.46543956865887
  H   -7.31733476804916     -9.00379221865865      0.61313159631532
  H   -8.48234941885522     -6.81922798643910      0.60489109285613
  H   -11.23917050043867     -4.67646644059510      0.87992222960731
  H   -10.45100657488796     -3.46214683467699      2.90152926671356
  H   -5.34630917491854     -5.63586290560763      6.90243429819313
  H   -5.05306882689150     -3.88759449416753      6.89164728611707
  H   -4.57869342237781     -4.85168572027872      8.31169410907801
  H   -2.94099169216576     -6.10388155024452      6.96127919118870
  H   -2.36712399117859     -3.96774526416308      8.18173703226753
  H   -2.48963698986761     -3.09981643420701      6.64741358447530
  H   -0.90252329254857     -6.52339576454588      7.02295862542070
  H   1.48972343269131     -6.93057228644261      6.64434804194814
  H   2.98541836940137     -5.89263723052570      8.82520054084440
  H   3.85260540196253     -7.74538963588862     10.22604141839815
  H   5.59528029120350     -9.29021910584128      9.33159289378952
  H   6.45284358255989     -8.96888372337076      7.01037078760991
  H   5.54618333670905     -7.13967073110343      5.58766659591704
  H   2.15165844115857     -2.69123754024923      6.23877241999023
  H   -0.27497971680677     -2.29309518576475      6.53601415289335
  N   -4.25036422067107     -2.26738948139499      4.91889361673877
  H   -4.35378204987918     -1.32876270713828      4.53373014819199
  H   -4.33715441674328     -2.19168407900618      5.93307261448301
