80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668046-2cSW/orca
  N   -2.58570216227289     -3.52213636955180      2.54270781303707
  C   -1.92973844165012     -4.58083515834529      1.76554445989503
  C   -1.99812186850347     -5.87522326295845      2.51721382650661
  N   -3.37469616970083     -6.04147505121192      3.01861255591258
  C   -4.31543583190874     -6.30099091234615      1.89817178477220
  C   -5.71573744898387     -6.09067358540207      2.40775854609764
  N   -5.71221905013740     -4.92805032495184      3.29930884185320
  Mo  -4.03377177040708     -4.08171816979241      4.00215906983100
  N   -3.51119103637122     -5.30003791843000      5.53861405406449
  C   -2.89340284472881     -6.61192690564086      5.30730879364573
  C   -3.42501829095539     -7.14842541188087      4.00973542692271
  H   -3.12885263736435     -7.30900929142177      6.12453548311465
  H   -1.79213716444123     -6.51015354577873      5.29504162471226
  H   -4.47113235916250     -7.45125170730171      4.13795455663501
  H   -2.85247560768650     -8.01176657476674      3.63275495148293
  H   -6.40764232213028     -5.93502874736295      1.56070096111133
  H   -6.09631415601100     -6.97933682379778      2.94594979076317
  H   -4.09946525269092     -5.58859638954918      1.09475307437482
  H   -4.16896282241380     -7.32079700420183      1.50528199365552
  H   -0.87779243024082     -4.37154091967578      1.55058648864611
  H   -2.42109816599859     -4.65562639981706      0.77993849842499
  H   -1.32514421250819     -5.84291434848875      3.38334555285513
  H   -1.71188764418385     -6.72984956831303      1.88010893438704
  C   -2.10050079965560     -2.26000307079624      2.29201441610544
  C   -0.81463103719495     -2.02869298010682      1.74465057125709
  C   -0.36393729057985     -0.76457755277062      1.37983702001404
  C   0.99355146271952     -0.66099802220484      0.83588212670225
  O   1.77667460912002     -1.59210251405723      0.65915585606125
  C   1.49196611776196      0.72980141471182      0.42350177694315
  O   1.67608105915032      1.14804903117203     -0.67442173692168
  F   1.80928445107443      1.48008579953717      1.53487913442144
  C   -1.20347763669664      0.37782658722438      1.51690161996681
  C   -2.43830828117931      0.21094983225635      2.07718810868162
  C   -2.90030220537161     -1.06837913076225      2.51652889739263
  C   -4.12364663621381     -1.12857528665953      3.16479956158690
  O   -4.57833082055419     -2.17878314877629      3.77058269358907
  C   -7.02168489534160     -4.76093556327218      3.85463737972810
  C   -7.34088781549711     -5.34930276195698      5.08227192066941
  C   -8.63020079361127     -5.22711403032493      5.62065216530228
  C   -8.99267036095783     -5.75123787493880      6.96608542712196
  O   -10.05994682065472     -6.32216473556271      7.19056194167786
  C   -8.06297958416403     -5.36932993075796      8.09805166669270
  O   -7.08112486723151     -4.66758624363780      8.05194983630997
  F   -8.51893494421475     -5.81792638879002      9.29749514211567
  C   -9.63598755453268     -4.57302393821862      4.88395637534013
  C   -9.32712063028852     -3.97777059029333      3.67248843963702
  C   -8.02390243505898     -4.04947767033095      3.14825078647971
  C   -7.70055044137978     -3.37845485125599      1.87678796421191
  O   -8.50050238046280     -2.72533187959968      1.21611725001049
  C   -3.52252045647677     -4.94901645014238      6.90069237588338
  C   -4.15345949323417     -5.78547891371282      7.81897384146228
  C   -4.22732330188818     -5.46323370525059      9.18335140208202
  C   -4.96105199713568     -6.27210316847655     10.17481366613020
  O   -4.88862736540757     -6.05106948263669     11.39116196027217
  C   -5.85819912531123     -7.39685553923576      9.68363651301264
  O   -6.20887452179677     -7.68190430065597      8.56569709794588
  F   -6.32564743901762     -8.12827024799982     10.73667729939942
  C   -3.55918489080363     -4.29979689459847      9.64627592010720
  C   -2.89974111186015     -3.48090516831974      8.75524453405109
  C   -2.88746044191013     -3.75743888003499      7.36410478608002
  C   -2.20131604659419     -2.86728733166780      6.47238487155257
  O   -2.27384757104071     -2.86420647456794      5.21930399178593
  H   -0.09708569195242     -2.83523108182659      1.61439833919919
  H   -0.86316452635529      1.36491365400717      1.20138226967682
  H   -3.09931290629079      1.06657571507721      2.22937276795474
  H   -4.76216269366151     -0.23705245240590      3.21765872468030
  H   -6.56848530464474     -5.89940400648474      5.62301275788819
  H   -10.64073548040487     -4.51321118591609      5.30391266920768
  H   -10.07760562773566     -3.42641752248572      3.10302183776969
  H   -6.63927117135126     -3.46826694236982      1.56429120918166
  H   -4.65981849099190     -6.67652321756721      7.45506463059225
  H   -3.59864548925521     -4.06893745281891     10.71036228604530
  H   -2.39241419699176     -2.57907487447010      9.10766152454209
  H   -1.54340128935270     -2.11486661962115      6.95531678976843
  N   -5.39057286687874     -3.33597223689163      5.71526142563693
  H   -6.20785162338049     -2.91096556612129      5.27208886964905
  H   -4.87145026598009     -2.58125584349676      6.16938839546238
  H   -5.72681929699491     -3.96671932252350      6.45332508129908
  N   -4.67237389923980     -2.79444819124547      0.37006149375231
  N   -4.09478419459362     -2.47046340438070     -0.51437775586969
