70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670651-ToM6/orca
  N   -2.96101659389205     -3.49504380659898      1.92075131586084
  C   -2.92547703012619     -4.17166101752649      0.67066662899899
  C   -2.40070740073857     -5.62749485683758      0.92468914772707
  N   -3.23712268519989     -6.21114954027132      2.00330462781189
  C   -4.26521574284850     -7.18081414212843      1.53447023015116
  C   -5.44508216853338     -7.14788000395651      2.50414287410522
  N   -5.87816276283560     -5.76576691829420      2.75122333299980
  Mo  -4.42105315807321     -4.29647413992423      3.14370477321464
  N   -2.84720828932509     -4.93213434473652      4.32266833810508
  C   -1.76141923786176     -5.78456510870205      3.86802495220799
  C   -2.37062822070747     -6.86464060227886      3.00374746750686
  H   -1.26486604415990     -6.25221955710807      4.73171581837351
  H   -0.99728611934801     -5.20859434748529      3.31288846876807
  H   -2.98896424810956     -7.52398193407137      3.62755269554681
  H   -1.59353521272663     -7.47785723647957      2.51607571326839
  H   -6.28267628171457     -7.71976622441412      2.07622760748459
  H   -5.15353229263354     -7.63214957457493      3.45699236716985
  H   -4.63094161124335     -6.87707772839068      0.55361974372186
  H   -3.82182427187905     -8.18604927307600      1.44764203324318
  H   -2.32009785341874     -3.61229385367414     -0.06673658206183
  H   -4.17174605748917     -3.93575133484480     -0.00752619822239
  H   -1.35903173617129     -5.58583478958352      1.27501542094278
  H   -2.43757388980319     -6.24066470022617      0.01138250369833
  C   -1.94322467450097     -2.61796236187583      2.24752576561411
  C   -0.67237340713064     -2.70573554674952      1.63653167541722
  C   0.34867482059873     -1.82196711567977      1.96731970334072
  C   0.12750463880100     -0.83098626174593      2.93131162374802
  C   -1.11971366116347     -0.71617424008711      3.53174369835429
  C   -2.18273281241145     -1.58055124756745      3.20308330638619
  C   -3.49571556226369     -1.44720473519699      3.80736230299209
  O   -4.25615802732078     -2.50994895689492      3.95948652450555
  C   -4.07629874026972     -0.21789823203887      4.25763276312842
  F   -5.28588163432804     -0.43292904154707      4.87138209771730
  S   -3.57204747008520      1.33964158158138      4.06946300516060
  C   -7.18194375027491     -5.53317984110821      3.11537415808401
  C   -7.93896329743090     -6.56931766527263      3.71674088818749
  C   -9.23322031008809     -6.36700373785572      4.16560129062651
  C   -9.84234280108721     -5.11290367839841      4.02714358611705
  C   -9.14752750186863     -4.08543008512167      3.41255990854731
  C   -7.83078597295140     -4.24957288166572      2.92262146255251
  C   -7.14965912641566     -3.16891999907968      2.21628781204752
  O   -5.88454884646402     -3.14944568006113      2.09184148709639
  C   -7.82553234820203     -2.07622976710070      1.48110287959491
  F   -9.18681246214834     -2.17252305883280      1.45746888559699
  S   -7.09571993508270     -0.85903242504778      0.68649417053611
  C   -2.60369361491704     -4.23370746923727      5.51305660409659
  C   -1.27606913048103     -3.97490067948068      5.91779344958315
  C   -0.98671069744729     -3.19497418941644      7.03241500366514
  C   -2.02336540861851     -2.65099772940646      7.79376344043012
  C   -3.33955033264909     -2.93004080370048      7.44797097928564
  C   -3.66828369343348     -3.73599645991241      6.34112091359547
  C   -5.05489438080912     -4.10893723789522      6.07255817782255
  O   -5.41924287901794     -4.50555615386666      4.88518474462845
  C   -6.10206536635896     -4.17612574397987      7.06626683977462
  F   -7.31124364583122     -4.45204678465601      6.47497352266700
  S   -6.06716528729965     -4.05288049656324      8.70597244814753
  H   -0.46702073563846     -3.49857602312734      0.91554859769889
  H   1.32553826113399     -1.92369576747557      1.49125024525118
  H   0.93365587329984     -0.15616518860868      3.22270981378266
  H   -1.28496936546146      0.03506226044447      4.30109998697403
  H   -7.46400973195227     -7.53336253631738      3.89399280959165
  H   -9.76378311601900     -7.18373035021665      4.65931946820606
  H   -10.84823085374417     -4.93877567856583      4.41016643690612
  H   -9.62132616853388     -3.11132252441224      3.33057063324871
  H   -0.45022686104635     -4.33636560194656      5.30760493537355
  H   0.05480404928683     -2.98637524791524      7.28451008954797
  H   -1.80933318176362     -2.00649604407701      8.64718284080434
  H   -4.15057385789113     -2.50065204120309      8.03068928463650
  N   -4.60124243536219     -4.59272013391328      0.73206598090318
  H   -5.01435064851788     -5.06782136202036     -0.10386752259516
