88
Coordinates from ORCA-job /scratch/magstr/orcajob__5668029-79Ad/orca
  N   -3.00748040850073     -4.16205103640649      2.69245618397323
  C   -2.52291210762231     -5.10991461823848      1.68905561576110
  C   -2.09337099747061     -6.40443178508444      2.35189031917095
  N   -3.13905351843872     -6.85194588597383      3.31490764952107
  C   -4.30574849999807     -7.44176813676887      2.60741169396028
  C   -5.53526926356155     -7.14995236336502      3.43047026243426
  N   -5.48735572923575     -5.73366583038132      3.74983148999168
  Mo  -3.74087357614883     -4.97497920278515      4.39435895197724
  N   -2.10867435630453     -5.66055771050022      5.23652709449178
  C   -1.77106448702018     -7.05922396068181      5.35311062847350
  C   -2.58061724930890     -7.81941745906949      4.29929690603010
  H   -2.06591782681673     -7.43261504592589      6.35286961109032
  H   -0.68230228802449     -7.20422482558465      5.24422268267385
  H   -3.42657569826212     -8.33259478011036      4.77136880689149
  H   -1.97498185897855     -8.56854377290097      3.76386660513812
  H   -6.43532757177761     -7.39901355457239      2.85079388083456
  H   -5.56730191003048     -7.77513779116760      4.34632075871031
  H   -4.39913383086721     -6.94545961983584      1.63297671094273
  H   -4.14335938536860     -8.51825152800652      2.44196570561171
  H   -1.64332564155674     -4.71514727037517      1.16015321227743
  H   -3.29503333968462     -5.29730548808806      0.91467275871365
  H   -1.17373010619290     -6.23265447355288      2.92497118274901
  H   -1.90732588075248     -7.20104610536904      1.61178581283342
  C   -2.95198284466423     -2.74366506606431      2.32042580870146
  C   -4.12768510148425     -2.38470181625623      1.32505797771077
  C   -4.05652315281742     -0.99792525833062      0.78884674968831
  S   -3.77958200643374     -0.60689851358266     -0.78497974206858
  C   -4.15292989222479      0.13492690096367      1.76140148845459
  O   -4.12510063327012     -0.01043024098015      2.97398671878618
  C   -1.60107783791874     -2.29031048760816      1.78284813552168
  C   -1.18373879521171     -2.56614269371321      0.46929237910258
  C   0.07479950390619     -2.16972303635018      0.01674672851481
  C   0.94957738282271     -1.47719182984621      0.85644952783941
  C   0.50461902114438     -1.17155938595265      2.13492759290725
  F   1.32041437204904     -0.46213056414715      2.96260552885439
  C   -0.74742380743224     -1.54812523638610      2.61032826485835
  C   -6.76621186012332     -5.06033088331883      4.15415675019339
  C   -6.99829445683419     -3.74820477273786      3.37385256957108
  C   -6.62837086222395     -2.46672523778707      4.08871316868007
  S   -7.53373105212959     -1.07336728767953      3.87544501340995
  C   -5.47463326722799     -2.41818434028559      4.89603901347092
  O   -4.60462455076139     -3.38352050962061      4.95041454637853
  C   -7.96164129118145     -5.98936002904744      4.05615399775634
  C   -8.39514867522209     -6.67026543892832      5.20009251924637
  C   -9.49093545397709     -7.53418020232353      5.14096885524884
  C   -10.17003400917643     -7.73983701273704      3.93902518366974
  C   -9.72366887911551     -7.05484149108278      2.81353864663230
  F   -10.37273028749465     -7.24288418184950      1.63205105156971
  C   -8.64223267380421     -6.18531674505173      2.84518534635085
  C   -1.63235784217773     -4.75876776227291      6.26745081260201
  C   -2.29420421134505     -5.07532458386116      7.64777275538676
  C   -3.77853582060091     -5.00871833986311      7.60187548574434
  S   -4.70984087655502     -6.07594088842461      6.63910565284399
  C   -4.42915350652162     -3.96539327035173      8.37263404627086
  O   -5.64190007720709     -3.73823544135715      8.43150995020712
  C   -0.11240271460937     -4.68178256294230      6.25414979812613
  C   0.51210263907292     -4.07643317068865      5.15409361645042
  C   1.90127657014212     -3.99287858144524      5.08235470164479
  C   2.69755843317375     -4.52007683547035      6.10321924647554
  C   2.05911695217091     -5.12183764809243      7.17966875782447
  F   2.81475991445957     -5.64454498629362      8.18215885370483
  C   0.67343642923510     -5.21283947954089      7.28141305397936
  H   -3.15385765442962     -2.16107479519857      3.22452040120288
  H   -5.04643193322336     -2.48283747685274      1.91998154567251
  H   -4.15644204342877     -3.10041070834671      0.49467411868176
  H   -4.21311827707896      1.13952610263454      1.28340006836824
  H   -1.85936786434709     -3.06746123339289     -0.22329269234414
  H   0.37769304399119     -2.39389900130280     -1.00698360666694
  H   1.93727539530998     -1.15622765223316      0.52604558018802
  H   -1.04518270146289     -1.20892281994843      3.59549118871155
  H   -6.67565233094078     -4.81392753349927      5.22528075052768
  H   -6.45664174510136     -3.80236607710229      2.41296726940436
  H   -8.05918011058305     -3.66018052078208      3.10852246623484
  H   -5.24286927519100     -1.52293530137949      5.48020417757790
  H   -7.86701409472213     -6.51059209020457      6.14218988642268
  H   -9.82604059566540     -8.04952696200932      6.04223141232115
  H   -11.03018824601660     -8.40536874244212      3.86659533413348
  H   -8.34452058578266     -5.67072025769969      1.93050779776905
  H   -1.99175439155002     -3.74980404855099      5.99255846155734
  H   -1.95454816709372     -6.06841806405824      7.98445134064632
  H   -1.91498373419171     -4.33794136175877      8.37352739954878
  H   -3.71181526681387     -3.32975307325730      8.95453910165172
  H   -0.09846112256448     -3.66544411331867      4.34762075607075
  H   2.37230578212219     -3.50273024157597      4.22894204263179
  H   3.78570368921542     -4.46507656859280      6.07460643835608
  H   0.23641563707936     -5.68899989350146      8.15855452260496
  N   -2.36878912732358     -1.59739671976064      5.60655925122715
  N   -1.87779652671460     -0.61315768981242      5.68760591093786
