70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670620-cQ1q/orca
  N   -3.76944039550561     -4.13670969347991      1.65859909494034
  C   -2.61674778811017     -4.71470200401681      0.95046758809054
  C   -2.24388912568489     -6.02702382375321      1.61682285064797
  N   -3.43802389650095     -6.50631541262316      2.35550239420232
  C   -4.51434686107214     -6.85816567832736      1.38528369472977
  C   -5.92120522614257     -6.69677855922168      1.95788636353604
  N   -5.95746870266453     -5.76229556749851      3.11926659676825
  Mo  -4.09193220358400     -4.75205482680090      3.65542974385900
  N   -2.65874939803545     -5.86312743944786      4.81438824924452
  C   -2.22778377580142     -7.18531762725521      4.34941562173843
  C   -3.10189651769902     -7.66531049339046      3.21534783629419
  H   -2.25147863181789     -7.91785440847790      5.17335762675861
  H   -1.18063487923144     -7.13964192816521      4.00215788265288
  H   -4.04104208107874     -8.07830789193836      3.59251672268748
  H   -2.57962217056837     -8.42563805463380      2.61077313260266
  H   -6.57730179018678     -6.28088515046503      1.18430206836438
  H   -6.33900175823586     -7.65584578030258      2.29297485701242
  H   -4.40404334147700     -6.19595289157999      0.52432850780900
  H   -4.35754434689617     -7.89529023358462      1.04820620019102
  H   -1.74053887331272     -4.04186954493092      0.96066099198511
  H   -2.87356153706183     -4.86194553694235     -0.11674207491544
  H   -1.44322989166413     -5.87448290304315      2.34883027330621
  H   -1.91816842008349     -6.79383099572228      0.89332628929486
  C   -3.81988127219800     -2.73917676750075      1.40973854289019
  C   -4.67290311916621     -2.23507955630934      0.42585995899872
  C   -4.67570591025912     -0.87796361564304      0.09775650590589
  C   -3.80803450571515     -0.03694749575535      0.78423716808858
  F   -3.80998101816133      1.28914841574759      0.48694259454049
  C   -2.95193831917968     -0.49073820812250      1.77574942479249
  C   -2.95068718007603     -1.85654294957966      2.10286686457202
  C   -2.16075849960675     -2.40415505059757      3.21285520264693
  O   -2.55412079668296     -3.45853896780913      3.84975804630047
  C   -0.88920200040535     -1.86022324037579      3.65085531693347
  F   -0.46825973727477     -2.44566752890055      4.81282373185716
  S   0.09764903763978     -0.77983220174507      2.91419931205062
  C   -7.29634958242888     -5.24349276968770      3.37177378096123
  C   -8.28607338255316     -6.20061966137418      3.62117848444945
  C   -9.59727494104579     -5.82774875463072      3.89263601423375
  C   -9.88367901299224     -4.46548721303898      3.92363177036860
  F   -11.14729281623238     -4.07286540327589      4.21234379932848
  C   -8.92447797278550     -3.49788536265653      3.69610090893442
  C   -7.59297095310141     -3.86366688010622      3.39897791988689
  C   -6.55594779058082     -2.83790738807789      3.27023375140616
  O   -5.31093862419965     -3.09430465837788      3.53815151955469
  C   -6.84269134842096     -1.47308477753375      2.90260074829031
  F   -5.81096743783160     -0.64325989387296      3.23419213221639
  S   -8.11614345325500     -0.84680814235791      2.06779304289380
  C   -1.95056196899138     -5.35434961256469      5.86169567244954
  C   -0.66218366950596     -5.88047561024028      6.19234934819025
  C   0.13284225149191     -5.32843174025433      7.17369917389505
  C   -0.34203327622297     -4.23091519119057      7.90380609268058
  F   0.47861580405268     -3.65645224442128      8.82114266031532
  C   -1.60237835487769     -3.73438401945751      7.70914271899415
  C   -2.45444665044091     -4.30466848845575      6.72949152499433
  C   -3.82612786577168     -3.91489037468457      6.64602712560086
  O   -4.54447332068374     -4.14530632917609      5.60159402236233
  C   -4.57986662284151     -3.29840218670843      7.75001523588022
  F   -5.76410760943053     -2.80259873986208      7.28964087763151
  S   -4.27591542563258     -3.22195096946436      9.35170078960329
  H   -5.33876097770651     -2.92848251502355     -0.08988588717312
  H   -5.34268855963633     -0.47316726111552     -0.66323373713737
  H   -2.31733960621819      0.21717181851723      2.30405494157566
  H   -8.02081891359851     -7.25763286315030      3.61590261616087
  H   -10.37491047756764     -6.56477375088908      4.09023882136871
  H   -9.19982275330850     -2.44832025532039      3.76306924574003
  H   -0.24992659191506     -6.70604162105123      5.61977680932814
  H   1.13502885391654     -5.71426784469733      7.36436931842327
  H   -1.94645789668728     -2.89357379059432      8.30512785679560
  N   -5.35089045046967     -6.34962365488802      4.26123373113541
  H   -5.85446266902466     -5.97990323812284      5.08051498728202
