68
Coordinates from ORCA-job /scratch/magstr/orcajob__5670616-u9Of/orca
  N   -3.39402003919066     -3.77264383206731      1.51274820506530
  C   -3.63670562208875     -4.62972117616975      0.33978593399797
  C   -3.11404719588287     -5.99369938455027      0.70578368293561
  N   -3.79933692133170     -6.41983418109511      1.94131653096061
  C   -5.06191417688306     -7.11382495706993      1.61535639938996
  C   -5.94219565780224     -7.05021533246518      2.83606246552311
  N   -5.99141377837514     -5.64447213388219      3.22028870980470
  Mo  -4.25239356633542     -4.44679371896376      3.26741360751395
  N   -2.78803277878278     -5.43545985060811      4.25770207580581
  C   -1.97249893361948     -6.42081496125247      3.54461350759355
  C   -2.92023867012421     -7.29057283880755      2.75353399016219
  H   -1.41011515814919     -7.05166889106581      4.24939790199485
  H   -1.23784265226181     -5.92194125857199      2.88653359455366
  H   -3.53614052369732     -7.86662714957397      3.45487860775710
  H   -2.39001161146647     -8.00009448040570      2.09588957212341
  H   -6.94979854630642     -7.42206124741768      2.59544409877532
  H   -5.54500888044147     -7.69672305068789      3.64168302520160
  H   -5.54909755754676     -6.58490147726680      0.78540225966916
  H   -4.84924623279088     -8.14853945283683      1.29473449728685
  H   -3.08723978336781     -4.26527381985035     -0.53722452680663
  H   -4.70680386914557     -4.66154809701907      0.07198170004167
  H   -2.03627705657490     -5.92265684368290      0.89928962186470
  H   -3.27283654843643     -6.73865425697216     -0.09188103501352
  C   -2.84262109436361     -2.54722720492063      1.21448468306537
  C   -2.88745958384418     -2.03142221538722     -0.11544998652847
  C   -2.19203089322747     -0.90219465587048     -0.49326194991213
  C   -1.41736136140057     -0.24238224116812      0.47034304500535
  F   -0.70629452706603      0.85590061912909      0.09733264385911
  C   -1.40231490785442     -0.63237076705947      1.78315909763065
  C   -2.15383363805951     -1.76102759861935      2.20420981805836
  C   -2.37460805861752     -2.02424943571472      3.59013796845928
  O   -3.40023070203749     -2.77093975521444      3.94891958649147
  C   -1.63406695572947     -1.40258117637474      4.66641946471662
  F   -2.36893399808210     -1.37072453562220      5.81327440543243
  S   -0.09305895289444     -0.83051287946537      4.70452334247304
  C   -7.13567580287893     -5.26348046145310      3.92568643219817
  C   -7.76011323599572     -6.18582159297229      4.74510194794526
  C   -8.93547690901550     -5.92812414045306      5.51854630733866
  C   -9.40983883120953     -4.59446872606482      5.34026915150741
  F   -10.51666771194359     -4.22540326761164      6.03681084045620
  C   -8.82701459565288     -3.65437518264702      4.53087328543123
  C   -7.66379996051646     -3.94601286037681      3.78942393661661
  C   -6.98498961794298     -2.98008332651250      2.92836287648007
  O   -5.75622997983775     -3.12844025506769      2.61532663048576
  C   -7.63898440277582     -1.80464187514494      2.33026458635073
  F   -6.70749356684443     -0.93145358491344      1.86444418840451
  S   -9.22193547323319     -1.48853946685993      2.07642504990183
  C   -2.27978200354625     -5.01834852933702      5.48666729199429
  C   -0.88844453533399     -5.09527750075921      5.73311411714221
  C   -0.32477693962019     -4.68199173506051      6.93022875755713
  C   -1.16988155442813     -4.19244325287834      7.92422027985460
  F   -0.63258621130369     -3.76019700881339      9.09333906448521
  C   -2.53389699483831     -4.10670899413442      7.74573776552466
  C   -3.12124063436288     -4.51265519642743      6.52861005130147
  C   -4.55793640820183     -4.35508507962724      6.33654594104554
  O   -5.07138523385466     -4.21639093582037      5.16128410842017
  C   -5.51816214511285     -4.36397025818690      7.42674295813014
  F   -6.73506445397362     -3.90844330670518      7.00273834410753
  S   -5.40230006053235     -4.94355544442302      8.96232357385302
  H   -3.51827288611365     -2.51141479714769     -0.86111051798487
  H   -2.25055937146729     -0.51190633182938     -1.51359252389398
  H   -0.84495725725033     -0.05120926220922      2.51580933299589
  H   -7.28218100727086     -7.16515105688172      4.83011526026064
  H   -9.40666425003429     -6.64734792888702      6.18428516334490
  H   -9.27671494949358     -2.66462008935036      4.48729217987414
  H   -0.21916112937539     -5.43660642764196      4.94569765668143
  H   0.75343708402657     -4.71054796821026      7.08815819965342
  H   -3.14794053628708     -3.69141791702119      8.54032221758363
