88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668031-5YWm/orca
  N   -2.99036439136671     -3.88687584490099      2.31691408377130
  C   -2.41941456350070     -4.76895675395452      1.29449879979827
  C   -2.20053074942868     -6.16193905239864      1.86095383563170
  N   -3.35970340755045     -6.53081065751685      2.70131343952519
  C   -4.56607938443020     -6.85429165294046      1.91422515772398
  C   -5.78306405852857     -6.67174124372275      2.79771010579014
  N   -5.61425137967057     -5.47443754954452      3.62679672641822
  Mo  -3.85298426835100     -4.63852695075121      3.91618077088875
  N   -2.53666196285180     -5.58553937994637      5.03643655894699
  C   -2.13770966212961     -6.96916832825639      4.77040519011345
  C   -3.04698954546947     -7.56523460468848      3.71358599217729
  H   -2.22239317973747     -7.57213858234496      5.68992652480707
  H   -1.07918438075547     -6.99782544888462      4.45756284351985
  H   -3.99569264379764     -7.86671452326843      4.17711691232111
  H   -2.59377656938320     -8.45493254355253      3.24368527582061
  H   -6.66624932248991     -6.56822364331355      2.14881248005932
  H   -5.96258456051310     -7.54934836004633      3.44216913192081
  H   -4.62486110576733     -6.14303833150622      1.07903428681920
  H   -4.50851433992028     -7.87654977798663      1.50205968283389
  H   -1.44862043456149     -4.37861368800494      0.94831507383222
  H   -3.08378707724814     -4.80217952451675      0.41274775392063
  H   -1.31173602737625     -6.16018660440775      2.50520495735530
  H   -2.04386492278450     -6.90213228756058      1.05727971365289
  C   -2.80924889640825     -2.42811985575798      2.07461965137516
  C   -3.18334891604947     -2.04473178154595      0.62349060515539
  C   -2.96421981853414     -0.60306581867439      0.28931782098790
  S   -2.07990196873451     -0.09455928537511     -1.01401836652968
  C   -3.60950037156489      0.43749709385151      1.12210480805954
  O   -4.35194421213596      0.20255892848973      2.07237671804944
  C   -1.41653646973484     -1.97518729404970      2.48228673760541
  C   -0.31020407000892     -2.03432408263405      1.62290140041688
  C   0.94920654158352     -1.61782789714826      2.06112058388515
  C   1.13097232616920     -1.13088057989574      3.35667790412100
  C   0.02075392910900     -1.07184587128907      4.19049402005849
  F   0.17371951468284     -0.59975180871921      5.45622114818671
  C   -1.24132316005128     -1.47864765572658      3.78102766109440
  C   -6.89191826803200     -4.91938106661100      4.14920934060876
  C   -7.75447433632321     -4.26624397490299      3.03390477192217
  C   -7.02650501594701     -3.22978444386611      2.24008131816843
  S   -6.44501983154281     -3.50596867646535      0.70585908928049
  C   -6.76692838830694     -1.93658268791383      2.88759585311931
  O   -7.06493985147499     -1.70260150823664      4.06323992230948
  C   -7.68246911204146     -5.95480256062581      4.93652567913864
  C   -7.50333942191791     -6.01525751212407      6.32405414887091
  C   -8.19693212442078     -6.95370577767183      7.09025414793785
  C   -9.08346674745115     -7.84920893499072      6.49097320061889
  C   -9.25017753173346     -7.77092992668320      5.11308273148326
  F   -10.11285293725476     -8.63347507130031      4.50519827986359
  C   -8.57592172046165     -6.84734331000609      4.32531349309609
  C   -1.77109560997556     -4.94424073777407      6.12389359505824
  C   -2.11986577114302     -5.53347594324638      7.51596391928499
  C   -3.59534952661462     -5.57520890735891      7.78412179787155
  S   -4.47142580930177     -6.97517938628911      7.68943892908172
  C   -4.22037168708671     -4.27574852648226      8.11363321558096
  O   -5.42190064408195     -4.06239023533148      8.24542979393328
  C   -0.27090977089447     -4.98708568639468      5.82301275996627
  C   0.18018676695341     -4.56193261938432      4.56383799454235
  C   1.53495921578601     -4.59696492665276      4.23965067377928
  C   2.47858533959263     -5.05074749400965      5.16486054077563
  C   2.01556335866272     -5.46006057341190      6.40745212488095
  F   2.91060786903232     -5.90757423279084      7.32817077311504
  C   0.66798208786301     -5.44312268194242      6.75493319982816
  H   -3.52049262866078     -1.92052633781080      2.73161983161166
  H   -4.26492951199053     -2.28024131188854      0.51123556147047
  H   -2.63388239101787     -2.64832013551184     -0.10849875671780
  H   -3.37357987797827      1.47954772323072      0.80601799443698
  H   -0.43191694723773     -2.36218722718915      0.59012025424818
  H   1.80068267162231     -1.65908924136747      1.38003863824505
  H   2.10407958024912     -0.79837541086155      3.71781442833558
  H   -2.08426671867443     -1.40598590143776      4.46958749837465
  H   -6.61684216351254     -4.12324614697633      4.84677322089028
  H   -8.15940997050025     -5.02470265438336      2.35346411747442
  H   -8.59612537173262     -3.79098639712836      3.56404025221140
  H   -6.24163864541466     -1.18517370384339      2.25960982895911
  H   -6.81498359785607     -5.32715416746653      6.81803259761642
  H   -8.03519896588578     -6.98884130980227      8.16838805976888
  H   -9.63858406397333     -8.58925418562450      7.06770456506854
  H   -8.77211333837024     -6.83726343030543      3.25312681586342
  H   -2.07140015620298     -3.88688001849389      6.12963445312311
  H   -1.70470728646675     -6.54354010598743      7.62172676902872
  H   -1.62899482448492     -4.88448315903138      8.26210215354842
  H   -3.48549192185872     -3.43893196106067      8.23815545866219
  H   -0.54011177581260     -4.19285870126696      3.83470109839645
  H   1.86278678571778     -4.25566757426963      3.25731268968146
  H   3.54400812927156     -5.08568403571995      4.93766243030318
  H   0.38511964486053     -5.79001699923750      7.74769215256466
  N   -4.28427779721661     -3.21597135590041      4.81766251143831
  H   -4.64878187946528     -2.38089260570696      5.28869509116368
