79
Coordinates from ORCA-job /scratch/magstr/orcajob__5668089-BDKA/orca
  N   -2.64676840684247     -3.24435034691143      2.09086298216730
  C   -1.91304317241309     -4.19581244017728      1.24032608693958
  C   -1.84598242340459     -5.51855465350230      1.95441398550631
  N   -3.14744475247032     -5.77535836964151      2.61233051012645
  C   -4.21243198911322     -5.99497354821103      1.59020159919536
  C   -5.54856719828891     -5.96374916555668      2.28087787960173
  N   -5.50365769055619     -4.89530372906521      3.28309327936260
  Mo  -3.68347654296322     -3.96465316258350      3.84298620837675
  N   -2.61241639404410     -5.25730826100746      5.14493395368043
  C   -2.18336884894498     -6.58858743162421      4.69150823818829
  C   -3.04982009799032     -6.95308592563745      3.51651961666451
  H   -2.31788973947620     -7.33535493590994      5.48830743672059
  H   -1.11295212512934     -6.59559648384422      4.42512674221665
  H   -4.06168109144728     -7.18963901205900      3.86309188139073
  H   -2.65381105206857     -7.81615070002918      2.95772841316556
  H   -6.33139607933276     -5.78819787705738      1.52828377022132
  H   -5.79266696299087     -6.92718521629708      2.76810193354029
  H   -4.17346013415691     -5.16563245111914      0.87671519038491
  H   -4.01949463642428     -6.94360482998125      1.06293712232864
  H   -0.88108150138867     -3.86038704929191      1.05823584272183
  H   -2.39744061232501     -4.27948681435190      0.25376373268652
  H   -1.07344027465288     -5.48574090703991      2.73194866261157
  H   -1.60358420423089     -6.34237113628480      1.26333915776302
  C   -2.59302042000654     -1.94649637405602      1.69008276357786
  C   -1.71169612885474     -1.51757545302787      0.64993230046944
  C   -1.51086256813866     -0.18901065229717      0.32907206273073
  C   -0.56187756877299      0.09181862766899     -0.79858628998760
  O   0.33599059014138     -0.67968957575300     -1.09420418454630
  C   -2.25018897095485      0.83731192664955      0.99267760384223
  C   -2.00217305997359      2.27190010960097      0.79729340539232
  O   -1.03504667144428      2.73944474758054      0.21127946621874
  C   -3.22402495153649      0.44153017561316      1.89374483741690
  C   -3.42620256212977     -0.90682684710817      2.26030452203412
  C   -4.59882799632682     -1.16708470300355      3.02253686920136
  O   -4.97721681531225     -2.27399524190769      3.47056476162220
  C   -6.78791613142217     -4.43916871897943      3.61513456319098
  C   -7.32541285095640     -4.73993304798092      4.87386767095436
  C   -8.59594370167984     -4.31407525140170      5.27390137950857
  C   -8.97240846493013     -4.65418653304302      6.67118279647380
  O   -9.88030552258375     -4.15353852085080      7.31056485360295
  C   -9.39999470928341     -3.56321124694024      4.38073836561470
  C   -10.79239952271491     -3.11719655050986      4.67633513676094
  O   -11.37939347610043     -2.31169394179433      3.96917243777105
  C   -8.87208004280572     -3.26502778634940      3.12446780454349
  C   -7.59745042049005     -3.68034076988979      2.71771281460699
  C   -7.16674167642210     -3.20707164522534      1.38520191891414
  O   -6.11762792048446     -3.46966737912999      0.81236915065722
  C   -2.25349189045232     -4.92299543456709      6.41306254274037
  C   -1.15985430994060     -5.55535698564167      7.06784826135206
  C   -0.69742688870215     -5.14756342753051      8.30665686405688
  C   0.47679309201762     -5.89478446147154      8.86359531502680
  O   1.28666161712222     -6.45352248100776      8.14125558590335
  C   -1.37248853460663     -4.11119501807999      9.02335270231957
  C   -0.87815035836134     -3.55057190265405     10.28963429511465
  O   0.23193586199683     -3.75831746390218     10.75952640022263
  C   -2.52130679708553     -3.57260387110012      8.46401679323898
  C   -2.97593797502670     -3.93213969511243      7.17808309638177
  C   -4.27507532840723     -3.48755778590559      6.79591065330321
  O   -4.82393355316309     -3.65232434129113      5.67891107167937
  H   -1.13685437653458     -2.23383361887337      0.06745806073871
  H   -0.74771157980111      1.01917044707115     -1.37620364557622
  H   -2.77317262379420      2.93830531214631      1.25637980611696
  H   -3.86271838563013      1.20049313949173      2.35531354990282
  H   -5.27735528545010     -0.31114328609482      3.18670967757146
  H   -6.72216532052134     -5.33082288442956      5.56440000982786
  H   -8.30368008663471     -5.42371153686129      7.13336541014841
  H   -11.27895039909096     -3.56883665995739      5.56333878194283
  H   -9.49012857408056     -2.68001955965465      2.43746892750500
  H   -7.91522939944653     -2.53031607254026      0.90476482841259
  H   -0.60532806171950     -6.35536788825580      6.57803983321791
  H   0.54713583686176     -5.94635087762353      9.96830127734290
  H   -1.60292933617486     -2.87387842265911     10.80519143944705
  H   -3.09040220623777     -2.82684917668620      9.02740531981447
  H   -4.88311710867294     -3.00021074258377      7.57865785210833
  N   -2.65169326543793     -2.57397955151717      4.68537721644383
  N   -1.22966483654668     -2.57082460296447      4.52870161049671
  H   -0.80918063936262     -1.75615664418005      5.00360225458427
  H   -0.96786386046412     -2.53060506081941      3.52155741891790
  H   -0.79140193281279     -3.42709734542420      4.92520655356313
