73
Coordinates from ORCA-job /scratch/magstr/orcajob__5670630-nnb3/orca
  N   -3.17017956153479     -3.83110892001608      1.35797793257498
  C   -2.97296889546923     -4.68778157783260      0.18909669967750
  C   -2.51576934396355     -6.02486816211471      0.70583119871962
  N   -3.44972575321712     -6.43321259987404      1.78208351305015
  C   -4.71973974187307     -6.94551987084502      1.20730258851627
  C   -5.76931934341672     -6.91218302322537      2.28793625613538
  N   -5.71198653731532     -5.58103019771109      2.89505414387626
  Mo  -3.95186836313633     -4.59576323775411      3.14038377717161
  N   -2.68332444192602     -5.72698173641611      4.26296589433374
  C   -1.92614667854384     -6.81430552109735      3.62534675438366
  C   -2.83270655493723     -7.48110167582036      2.63344571413043
  H   -1.61001592577806     -7.54776720766614      4.38081138600132
  H   -1.01383291690490     -6.42501157539708      3.14039033244775
  H   -3.62837908623904     -8.00827136265907      3.17285648161197
  H   -2.30085212349636     -8.20727149890133      1.99782148297595
  H   -6.76044587024866     -7.08792029321696      1.84556155795267
  H   -5.60194063437755     -7.70175821733563      3.04290458011462
  H   -5.02578933504056     -6.28877209859831      0.38388105365260
  H   -4.56064133363780     -7.96027381155054      0.80771292159627
  H   -2.20874463740614     -4.25678215202591     -0.47454279825011
  H   -3.89917814964325     -4.78787172618382     -0.40563245119531
  H   -1.51194149457985     -5.92937178850935      1.13858196823056
  H   -2.49046867722174     -6.79532704646370     -0.08187007942319
  C   -3.13284778449711     -2.46869113736409      1.08910254513575
  C   -3.53633441195306     -1.97753123190048     -0.17343111784480
  C   -3.54453579957914     -0.62160397698319     -0.46107677473536
  C   -3.12273286693904      0.27933813581076      0.51838331321754
  F   -3.15638526870898      1.60004079769447      0.24696320098874
  C   -2.68114682667040     -0.14471863848275      1.75477618734482
  C   -2.67252671914135     -1.51822927395917      2.05896814189142
  C   -2.19574578396532     -1.99627150005435      3.33879931890495
  O   -2.52168762865171     -3.13951734763269      3.78320488113528
  C   -1.24802509994511     -1.24638165321781      4.19560941631060
  F   -1.32927351750173     -1.67538450678864      5.48043217779620
  S   -0.12969953485457     -0.15431251952345      3.75737327821059
  C   -6.89563720977824     -5.16637942328658      3.51089753314215
  C   -7.77921193943939     -6.13301114641740      4.03980612998637
  C   -8.93831927838230     -5.77676534508966      4.71661882330066
  C   -9.23517136597050     -4.42357968256098      4.86295385628476
  F   -10.34260019454683     -4.06783987679338      5.54960382901901
  C   -8.42561661402820     -3.43788795146155      4.33438868039159
  C   -7.25372939512316     -3.78494560586791      3.63792060061766
  C   -6.42447580683317     -2.76617771787669      3.01714333330941
  O   -5.20013663735820     -3.01072620224227      2.70244314983405
  C   -6.90774184648236     -1.44902204642472      2.60808569396467
  F   -5.85982083488928     -0.61780499811952      2.33563846096389
  S   -8.42896563467757     -0.92643626465639      2.32675891101746
  C   -2.19678795931031     -5.37450208220892      5.52221313260424
  C   -0.85176811402093     -5.65852827202095      5.87278758331494
  C   -0.33588083957797     -5.33424751266083      7.12079638258780
  C   -1.17017835951450     -4.70086902320358      8.04558321315460
  F   -0.66845878692728     -4.34796299641911      9.24987454170751
  C   -2.48917148861789     -4.41380571425297      7.75754565873240
  C   -3.02467680330425     -4.74655435537450      6.50159667015873
  C   -4.39846474293201     -4.42492474647295      6.16765613344364
  O   -4.69322724227168     -4.08706868100639      4.94028935787677
  C   -5.46672412295884     -4.36065805347848      7.11244524290230
  F   -6.61823886000207     -3.87666504502113      6.56848892605976
  S   -5.52945470624132     -4.79788045638376      8.72527959116835
  H   -3.89917511579410     -2.66940081727563     -0.93137056868956
  H   -3.89498298651349     -0.25154982983918     -1.42500558816467
  H   -2.36242643043093      0.58950381580950      2.49111398295774
  H   -7.53384547530524     -7.18982752383847      3.95940181962351
  H   -9.60038432996150     -6.53187872658946      5.14128176288176
  H   -8.69567579153090     -2.39449785818148      4.47444878935723
  H   -0.17935007324097     -6.10342657901169      5.14367152202532
  H   0.70810146240175     -5.53793491610154      7.37222246342474
  H   -3.10073231888179     -3.91120223097187      8.50359260164262
  N   -5.20583067587440     -7.06141779594130      6.12850264578758
  N   -5.78544818074106     -7.39843903971448      7.35346531330398
  H   -6.78492237453712     -7.64633651466835      7.24351377993610
  H   -5.73907739336712     -6.53739724767968      8.09458532955945
  H   -5.31273489071984     -8.20696438307926      7.79521023417075
