95
Coordinates from ORCA-job /scratch/magstr/orcajob__5658573-njbq/orca
  N   -2.78867392199403      1.03119495043522      5.59075499940234
  Mo  -3.96528073693472      2.53821833461188      4.57414375260329
  N   -5.33704863642773      2.73324852490653      6.31926564476586
  C   -5.01756661584391      3.64412356356739      7.41501986072703
  C   -4.03304383248775      2.99136955420314      8.40429150684658
  N   -2.74650445818591      2.72406433425372      7.79350156055463
  C   -2.14643042151440      1.42048314916051      7.93172618758957
  C   -1.72211687821422      0.86065059629186      6.55085191482078
  C   -1.83271811661429      3.83627565950708      7.71083330853447
  C   -1.44556252031178      4.15164578927824      6.24439247843905
  N   -2.58871302298423      4.01323789833182      5.36907397450946
  H   -0.82351482737940      1.38842316963237      6.19653371198736
  H   -1.47610548969057     -0.21055829797200      6.65239968002568
  H   -1.25474028962308      1.44193245544406      8.59210262584394
  H   -2.88170062759218      0.73169954536003      8.36935281011834
  H   -1.04907470895186      5.17951923174818      6.18534596307777
  H   -0.66062029970240      3.46053264187123      5.90290487224253
  H   -2.31476483448472      4.72715324069497      8.14005082325614
  H   -0.90545806356353      3.63969133658835      8.28399529662402
  H   -5.93107305757479      3.91886364488053      7.97191909462740
  H   -4.57705757448796      4.56572656520810      7.00836316370944
  H   -4.47519776143444      2.04170429725374      8.73525191461941
  H   -3.93906758876962      3.65061917266375      9.29232543633761
  C   -4.22787010447688     -4.07207986989022      7.86818241056959
  C   -5.63766031506344     -3.67107799754351      7.40207618763960
  C   -5.67058786856005     -3.38883875058634      5.92074443437076
  C   -5.85329781067397     -4.42190922038377      4.99208901485680
  C   -5.85753687098808     -4.15872693792136      3.62057665257645
  C   -5.65267147257130     -2.86145313233913      3.15503997247206
  C   -5.43462676151140     -1.82119528661038      4.06605238655513
  C   -5.21624363263691     -0.43585044861883      3.54516704001527
  O   -5.73913094220247     -0.06158922274827      2.49159172144470
  N   -4.39896802083044      0.40340580264943      4.27305458804488
  C   -3.42951075342970     -0.00382172046024      5.10125383975901
  C   -5.46997727505308     -2.09183747624827      5.44190357602835
  C   -0.55115734073948      8.47371145783093      0.43383753199281
  C   -0.70148830055468      8.44301151602664      1.96461443645495
  C   -2.14801446741370      8.32269760786955      2.37680903922298
  C   -2.95710589183834      9.45985798526865      2.49924097563271
  C   -4.31189523717066      9.34343142204973      2.81654596702773
  C   -4.88064292152552      8.08736346220060      3.02208589178773
  C   -4.08346635947085      6.93935431140672      2.93240260045596
  C   -4.73055101633038      5.59117299102663      3.11604919688357
  O   -5.70237122935311      5.30097556612577      2.41975997308519
  N   -4.19627442669249      4.72875692540156      4.05641336973905
  C   -3.13078579337016      5.06419473530987      4.80889125465476
  C   -2.72589552698308      7.06725420001781      2.60211822905116
  C   -10.83568119503364     -3.57024971183577      6.81508853048003
  C   -9.37944004858921     -3.58201538514665      6.32092626669105
  C   -9.15209093228000     -2.56006776637007      5.23382467317093
  C   -9.49972688615550     -2.84119434345711      3.90550297480075
  C   -9.35822169617554     -1.87392874586029      2.90816665575939
  C   -8.87304873544036     -0.60724852887850      3.22571128902508
  C   -8.48874395435130     -0.31898817084457      4.54024632836058
  C   -7.94260834670699      1.03123891184409      4.86649511310660
  O   -8.35482871431875      2.05723097490197      4.23944861777508
  N   -6.92592121267617      1.08129458304469      5.72602646177515
  C   -6.51846434703433      2.16359820439936      6.40115694220450
  C   -8.63547982832529     -1.29545810737831      5.53182927356612
  H   -3.88696800526780     -4.97035632339644      7.33561336778421
  H   -3.51044435245846     -3.26332660758883      7.66821880932263
  H   -4.21970133961228     -4.28378847200288      8.94670843046389
  H   -6.34119561002212     -4.48406735452638      7.63538544192446
  H   -5.95982172455996     -2.77305952828906      7.94982570492529
  H   -6.01418423267564     -5.44165606612672      5.34955985250639
  H   -6.02713098474890     -4.96841888737676      2.90949138064917
  H   -5.66567435636590     -2.63071504178117      2.09044183697826
  H   -3.13907621686923     -1.05089102701432      5.26476792988838
  H   -5.38788476142889     -1.26087617747130      6.14437320757144
  H   0.50646022627468      8.56251178733081      0.14865669901186
  H   -0.95392558505671      7.55398876229337     -0.01247832504740
  H   -1.09851305857096      9.32562596123818      0.00850428945417
  H   -0.13376014637596      7.59015089529608      2.36552134626537
  H   -0.27742582604055      9.36605668921507      2.38685936435778
  H   -2.52045058437255     10.44737891638944      2.33483501679621
  H   -4.93178299405630     10.23717696414290      2.90013373560507
  H   -5.93990778363724      7.98118091107126      3.25758255076555
  H   -2.75956688418739      6.09082779627445      4.93620431584362
  H   -2.11418270339086      6.16858562078951      2.49012906623520
  H   -11.52551558243487     -3.79315459098656      5.98980149168880
  H   -11.09664098905721     -2.58147871697763      7.21696781836676
  H   -10.98639252635886     -4.31821802259271      7.60678648818256
  H   -9.13692067268495     -4.58366095395628      5.93414219321670
  H   -8.70786716935670     -3.36941884635995      7.16577594946690
  H   -9.88701200301077     -3.83085640140222      3.65085673744313
  H   -9.63162188277054     -2.10695035524748      1.87772435596467
  H   -8.75750252788151      0.16234424593034      2.46345256930654
  H   -7.21615402698879      2.54735986395116      7.17126336194267
  H   -8.33931653027422     -1.05194781892656      6.55441985109850
  N   -2.70068346159013      2.40538068619507      2.80232433210862
  H   -2.32355950562950      3.31510688348049      2.50977684212073
  H   -3.21358610700387      2.03463267741335      1.99486876367883
  H   -1.88911024599125      1.79028113276703      2.93273607407857
  N   -5.81890912732099      2.61662583611645      3.56220224658449
  N   -6.78420319692799      2.70265736995520      3.03498390515071
