91
Coordinates from ORCA-job /scratch/magstr/orcajob__5668041-7K6P/orca
  N   -3.37313306794115     -4.16109472210981      2.58063574171921
  C   -3.28919937171214     -5.09424970751150      1.47890970742209
  C   -2.50760088404743     -6.29622458057048      1.98610071312710
  N   -3.16100089951638     -6.76523191115931      3.24507095326598
  C   -4.32302165714483     -7.64305994531664      2.87640027144559
  C   -5.56111326976063     -7.21585009576979      3.62813289986240
  N   -5.56233370037469     -5.77127073968506      3.66662577631262
  Mo  -3.86782348926016     -4.88992835594874      4.39507534158542
  N   -1.82265214939575     -5.17578763140927      4.84260926768318
  C   -1.23597580647907     -6.51689755360434      4.79340924210149
  C   -2.18953863492782     -7.49509503679519      4.10449040040411
  H   -1.01558225991578     -6.90959386567430      5.80237981178985
  H   -0.26991437371394     -6.49312688087957      4.25834717926661
  H   -2.77438800421073     -8.03880816015525      4.85333473725981
  H   -1.63961226819868     -8.22904863625016      3.49197002937723
  H   -6.44844193766885     -7.60859939998261      3.11110613403057
  H   -5.58130125779707     -7.64798816558012      4.65119405614540
  H   -4.50298664513245     -7.52696346185580      1.80079385598609
  H   -4.06060840093788     -8.69377259428575      3.06376264855199
  H   -2.78988627236612     -4.65618217711946      0.60077567606567
  H   -4.30668663191592     -5.41226706047311      1.17255044271982
  H   -1.47767750683687     -6.00679019897585      2.21936188007758
  H   -2.47763491596307     -7.12480727831784      1.26149746019573
  C   -2.99900530711766     -2.78072105583785      2.34745736126371
  C   -4.10540712174131     -1.96297141324093      1.61561110182983
  C   -4.17949255051613     -0.52205024420680      1.99960101606799
  S   -4.41630165344428      0.74000698202647      0.98816164335191
  C   -3.99052451835874     -0.01542791337207      3.40039445029434
  O   -3.00234764046787     -0.25260323975801      4.10149551871145
  C   -1.62856659886375     -2.61546652150933      1.69310945004460
  C   -1.34225677178477     -1.62891019291995      0.74236843509224
  C   -0.05103000172527     -1.49801173730866      0.21997224054274
  C   0.98178340727674     -2.34279796674713      0.62608674707009
  C   0.68038598693529     -3.31942864770793      1.56745172457160
  F   1.65981388366094     -4.16985274340855      1.97432665343828
  C   -0.59115205481689     -3.46969216898039      2.10772197790663
  C   -6.86178938642780     -5.10430935866156      4.01784467039186
  C   -7.11404055648484     -3.89110124583477      3.08101138004897
  C   -6.87365854876110     -2.53282146088164      3.69160840220185
  S   -7.81229827157340     -1.19223436802536      3.30991111149325
  C   -5.77968954904146     -2.35856847147751      4.55749615699982
  O   -4.86626568758950     -3.26058059409814      4.74934587711467
  C   -8.03042969511928     -6.07153351217092      4.00564473864564
  C   -8.47064085602598     -6.61841641387344      5.21718318607976
  C   -9.53159044798737     -7.52664768280406      5.24234446960279
  C   -10.16693859813682     -7.90952683940364      4.06032725306442
  C   -9.71426364222904     -7.35541039271020      2.86684778068510
  F   -10.32076065576507     -7.71518034885504      1.70587310696977
  C   -8.66597654705771     -6.44650093090514      2.81281455290789
  C   -1.45696162524116     -4.35399090983105      5.99390346652382
  C   -2.31227602113078     -4.74449422778902      7.22462985428685
  C   -3.75261091374945     -4.89542848962381      6.80381715016601
  S   -4.28623432562676     -6.44252478489248      6.26560003579652
  C   -4.72604571200188     -3.94952958799227      7.36663976425585
  O   -5.94538312295988     -4.03696743435432      7.32112308197006
  C   0.04324793493593     -4.30032932206416      6.29574588958246
  C   0.99744382068255     -4.39542733108315      5.27073560391623
  C   2.36092316081852     -4.26042734185674      5.54018791032957
  C   2.80964951596666     -4.02618400390624      6.83940322389189
  C   1.85471502505158     -3.93198999201415      7.84564129829197
  F   2.26066980366313     -3.70729149601357      9.11621619314320
  C   0.49087656956626     -4.06015850370122      7.60453018328255
  H   -2.94478479928312     -2.33465740735302      3.34630491275074
  H   -5.06976755851004     -2.39694303966351      1.92280044821921
  H   -4.04794839835127     -2.05724912808713      0.52195473245905
  H   -4.75423841719558      0.71983858057096      3.72455650661418
  H   -2.11938094974035     -0.95253032714346      0.39004324801952
  H   0.15156079033471     -0.72622284993063     -0.52372475487447
  H   1.99003428407997     -2.26134271795649      0.22048585373561
  H   -0.80480557298906     -4.26568100493118      2.82687366218188
  H   -6.79548027144140     -4.74737589754988      5.06004004942837
  H   -6.47298176116934     -4.00658101936601      2.18933462930396
  H   -8.14692515408783     -3.90171109792435      2.71273964085389
  H   -5.66114576287196     -1.42299340876536      5.11613749346051
  H   -7.97794792373428     -6.32225902925426      6.14510517199431
  H   -9.87280594384429     -7.93834422037005      6.19314234442560
  H   -10.99948645775610     -8.61302415129059      4.05328806239389
  H   -8.35843239298695     -6.04690249718753      1.84527312918654
  H   -2.22482615314941     -2.46373722205524      6.49529676437167
  H   -1.92559785295548     -5.69197816729559      7.62478115310273
  H   -2.22231992741592     -3.99105411282450      8.02389963576779
  H   -4.24749832236780     -3.06391490226362      7.86654822354611
  H   0.68503930728225     -4.59553598762289      4.24910443164445
  H   3.08078558560332     -4.34330801546317      4.72499712908927
  H   3.86816917206924     -3.92207311109747      7.07730215099167
  H   -0.19067843984460     -3.97877757472746      8.44976949162035
  N   -1.99131963795412     -2.98460706720590      5.64397457553742
  N   -1.08461969609942     -2.14419076576013      4.90189909450207
  H   -0.22710971394187     -1.88628450401752      5.42131500101555
  H   -0.79350139388245     -2.64338308953393      4.03523066082560
  H   -1.62609195938899     -1.29681519670294      4.59462866960643
