78
Coordinates from ORCA-job /scratch/magstr/orcajob__5668087-XMKy/orca
  N   -2.94797824407681     -3.20384818808255      2.34461523330770
  C   -2.31440196720194     -3.99814064689144      1.28626011567163
  C   -1.70296544763583     -5.24521515141848      1.88541415775944
  N   -2.68424403793423     -5.87329981391850      2.81531095059346
  C   -3.85666177861992     -6.39496203281882      2.02581536551357
  C   -5.16065818917382     -6.06870785607792      2.71920925552389
  N   -5.15595656410218     -4.70971865584215      3.25742847967677
  Mo  -3.27932246828196     -4.19651856038509      4.20052606374725
  N   -2.16221570222397     -5.60156895030585      5.47933034300625
  C   -1.26553660090690     -6.47146965679214      4.72770899624815
  C   -2.05912426773641     -6.99984259147267      3.55776713393042
  H   -0.93046354760817     -7.32987830252223      5.32921494059915
  H   -0.35805312336194     -5.93531220108172      4.39593027347064
  H   -2.87358872730792     -7.62940323072772      3.94070396427920
  H   -1.44022319771952     -7.60459226889343      2.87429905554511
  H   -5.98664548526282     -6.24457647444432      2.01657316087908
  H   -5.31590895286504     -6.75567663574608      3.57465707200097
  H   -3.85921014873612     -5.92466275493265      1.04115307405811
  H   -3.73842272768283     -7.48031113594037      1.88896905332349
  H   -1.52299088666169     -3.41828576078393      0.78676721457748
  H   -3.06264802050201     -4.25899681089905      0.51957842347270
  H   -0.80631132347952     -4.98961191413758      2.46440260584006
  H   -1.42281455861223     -5.96406054966814      1.09650595371714
  C   -3.32984417481140     -1.96123668385874      2.01333750691246
  C   -3.25472073908651     -1.50675205147087      0.65461895931034
  C   -3.57785837970075     -0.23016869333317      0.25048606182840
  C   -3.54597091143098      0.04008782380459     -1.22029118601408
  O   -3.05058290773461     -0.73939936677495     -2.02347105514936
  C   -4.00995788439573      0.74401034812262      1.21394779118706
  C   -4.27716222727014      2.15766036137227      0.94324778021947
  O   -4.07697061044697      2.75740151177161     -0.10888008602032
  C   -4.15077498208404      0.31758880436245      2.52498654886158
  C   -3.85278572228260     -0.99136365198186      2.96329224059860
  C   -4.12993290634258     -1.25013625786058      4.32658620094249
  O   -4.03632035463612     -2.35779320053551      4.93269045358473
  C   -6.25345353716253     -3.93084655446663      3.04884281606228
  C   -6.72521954008518     -3.12817693056976      4.12431549271722
  C   -7.88275030629778     -2.36306076144322      4.07143238743122
  C   -8.15146235368171     -1.58652680020634      5.30252439307452
  O   -8.98633332238402     -0.70611014269660      5.45146784577994
  C   -8.68401503018876     -2.35737822483638      2.88676247265459
  C   -9.96886186171098     -1.64701457958938      2.74509365368985
  O   -10.61609073455740     -1.63102676387414      1.69867155974758
  C   -8.20799781044859     -3.09475332000727      1.80537592162819
  C   -7.01853670602851     -3.84172759805307      1.82138245929722
  C   -6.56895872365251     -4.25347075165225      0.49180804771615
  O   -5.46576458021458     -4.69617057245582      0.16956348423033
  C   -1.95140051347070     -5.45204363802002      6.79642108937387
  C   -0.78490471622455     -5.94089673470903      7.46852635898150
  C   -0.54842704902344     -5.71606613839143      8.81254250952216
  C   0.69391950965083     -6.31796432895787      9.38464734106043
  O   1.63643480673685     -6.66578506088107      8.68581321705915
  C   -1.50174631838799     -5.00082654658221      9.61088666847172
  C   -1.30128700194126     -4.62285205202223     11.01038566566595
  O   -0.26065364582290     -4.73220438874246     11.65257395260604
  C   -2.68649611860425     -4.60288318964728      9.00132921508718
  C   -2.93696987249470     -4.80003083652352      7.63323286432562
  C   -4.23984043866975     -4.56506408258691      7.12206511232085
  O   -4.57260003319367     -4.67128217138862      5.91062273398138
  H   -2.97583094448840     -2.19618939680792     -0.13980720293781
  H   -4.02377364600033      0.98357507573870     -1.54968942343880
  H   -4.69405501405300      2.69971881138374      1.83017180506362
  H   -4.50979839266801      1.03234627448476      3.27212763878889
  H   -4.49901330169951     -0.40294528477662      4.92706132674421
  H   -6.17770919376906     -3.17927189731402      5.06309320940578
  H   -7.46736150302150     -1.86411849979413      6.14544148013008
  H   -10.33842506438229     -1.12336482164856      3.64959372857753
  H   -8.78529143379560     -3.04749195831646      0.87708588726667
  H   -7.32013168213754     -4.02208758532903     -0.30206383015570
  H   -0.02222585394780     -6.50129027244305      6.92819766795459
  H   0.70603068537944     -6.45921171690685     10.48320027207956
  H   -2.21578612738705     -4.18586502013961     11.48533742843749
  H   -3.45553829936812     -4.10977343275415      9.60432127061931
  H   -5.04179693939878     -4.34274031451408      7.84938067490594
  N   -1.60561242212162     -3.24693819797701      4.56666946239847
  N   -0.54401300069567     -3.31783661830537      5.27169659233003
  H   -0.35826821420397     -4.09849102729915      5.92639406358588
  H   0.08876301353325     -2.51544374881260      5.30348758275624
