72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670624-u9J5/orca
  N   -3.20767735713182     -3.67264107482845      1.16721299748989
  C   -3.32110548918339     -4.62309179659436      0.07036558949436
  C   -2.62610514594639     -5.87260118023822      0.55235879084367
  N   -3.19787146263769     -6.23395640219050      1.87302993974928
  C   -4.46051871414572     -7.00046960989486      1.70819587144468
  C   -5.28901851435574     -6.86986958381830      2.96687899953632
  N   -5.41767667838426     -5.44011008649858      3.24513920967736
  Mo  -3.77869905304636     -4.27696929133624      3.09773289449983
  N   -2.62560059928823     -5.36248135967371      4.36110038460614
  C   -1.54013216566815     -5.99344583384367      3.60502044095256
  C   -2.20527873637207     -6.99259678910789      2.68448795745167
  H   -0.77993815751938     -6.46766336436158      4.23336974488000
  H   -1.01455612148330     -5.21528026160103      3.02865095586027
  H   -2.73268299201053     -7.74445737739916      3.28554840217749
  H   -1.49505539302916     -7.50906584852873      2.02097134187500
  H   -6.27794489846483     -7.32160672881905      2.79292510370661
  H   -4.83420472418598     -7.40241693381152      3.82357881104235
  H   -5.01223249583083     -6.56036525486859      0.86628650099671
  H   -4.23240701916872     -8.05172960143870      1.46768083591680
  H   -2.81540796684692     -4.23720036447749     -0.82869541936389
  H   -4.37286977566850     -4.82522281580575     -0.20914229420606
  H   -1.55980764655127     -5.65126395543436      0.69581208956857
  H   -2.72166166487604     -6.71844928135750     -0.14825342218722
  C   -3.22661767701370     -2.33333056857933      0.84856208176748
  C   -3.85496263845101     -1.86695283377578     -0.33078936983567
  C   -3.93569229222065     -0.51685940176397     -0.62270894010630
  C   -3.36865658293491      0.40035688238700      0.26668868836040
  F   -3.49472602251914      1.72451299851961      0.00147158440301
  C   -2.69080525504411      0.00166004149681      1.39780322562597
  C   -2.58298016390034     -1.37086272587851      1.69891842704895
  C   -1.77027932493115     -1.85695381184730      2.79930686712658
  O   -2.01453537292139     -2.97581911893531      3.35918876793307
  C   -0.56659463499467     -1.15477978485891      3.26657180747074
  F   -0.09013109188082     -1.73808260589155      4.40425394321131
  S   0.27303072969336      0.08289618093257      2.60569507215280
  C   -6.55607838262715     -5.03108624781718      3.92878910481922
  C   -7.24530150029316     -5.93640829273525      4.76757975639693
  C   -8.31495574120000     -5.53015402776042      5.55206505647773
  C   -8.72177160774079     -4.19806042069184      5.49257299654053
  F   -9.74088543239117     -3.79027326653039      6.28794100345693
  C   -8.11860345143737     -3.28710438034793      4.65078257599121
  C   -7.04164047183872     -3.68578730995132      3.83578328925327
  C   -6.46176666439167     -2.76705980844180      2.86253687978640
  O   -5.27108910126770     -2.90951917290913      2.40830332785420
  C   -7.22611276509132     -1.67708666644224      2.25633001643527
  F   -6.39162839365147     -0.79007981727964      1.63733288531526
  S   -8.84446277239697     -1.46190947821578      2.12794899762096
  C   -2.70464590403531     -5.52641632357253      5.72677959037758
  C   -1.92017037057925     -6.51764242004111      6.38262115622251
  C   -1.97842064694477     -6.74907424683144      7.74273260620236
  C   -2.84183977914413     -5.96255745719293      8.50870839501204
  F   -2.89626529838425     -6.17057427411901      9.85076854052097
  C   -3.63161143796279     -4.99287882483430      7.94562546603620
  C   -3.60809844673522     -4.74288970849609      6.54934260479733
  C   -4.39814572709122     -3.67718208960687      5.99199038760857
  O   -4.28715286484585     -3.37200846355913      4.71571806184498
  C   -5.33653279093613     -2.82558219551077      6.69113866329465
  F   -5.59790773599250     -1.69542488460047      5.95475302649640
  S   -6.17819823631514     -3.01883428056709      8.08573229935952
  H   -4.34977786012201     -2.57894359669222     -0.98956585453854
  H   -4.46556733691423     -0.15873427021037     -1.50578937871279
  H   -2.24943650445305      0.74850807490405      2.05296487786619
  H   -6.88442254865848     -6.95966165522346      4.85695193927019
  H   -8.81116681419775     -6.22182189711145      6.23321902984115
  H   -8.46649814985534     -2.25779850515728      4.63784290881457
  H   -1.26376991510657     -7.16304792776971      5.80563790664761
  H   -1.37231719973227     -7.52508603849755      8.21055555359009
  H   -4.29580335572529     -4.40774851112333      8.57869965550776
  N   -4.91383183030152     -8.16592609568260      6.21175934407643
  H   -4.03794254834025     -8.50707202456059      6.61629798386151
  H   -5.66248301733377     -8.65698403137388      6.70790148841276
  H   -4.98157929705079     -7.18750891932324      6.50895597647071
