89
Coordinates from ORCA-job /scratch/magstr/orcajob__5668034-VIBB/orca
  N   -3.09391118925491     -3.89485205814128      2.51595751568165
  C   -2.78018840193607     -4.85228909396897      1.46540765731721
  C   -2.17183176718989     -6.05560849361843      2.13746508685604
  N   -3.10544852448832     -6.45857118272124      3.22146924295249
  C   -4.27489294473240     -7.16426045506114      2.62883233957393
  C   -5.46839371945169     -6.91375598512108      3.49755820538897
  N   -5.52026266065497     -5.48482502830859      3.79392842518120
  Mo  -3.75761528453744     -4.51151224660059      4.30161389960472
  N   -2.04066988509062     -5.26358677124649      5.28573600272074
  C   -1.54147686775293     -6.62419800699126      5.08611871546026
  C   -2.46247279053383     -7.38979478980964      4.17616946430767
  H   -1.49385590881228     -7.14732910039790      6.05793447222279
  H   -0.50680107560845     -6.59498866614852      4.70545431404901
  H   -3.25806335837221     -7.86851403459445      4.76045008339521
  H   -1.92792627852160     -8.16733512973531      3.60755333221336
  H   -6.36928332756189     -7.23477302050131      2.95817849421874
  H   -5.44606206180633     -7.51979430187941      4.42499379560993
  H   -4.45590927662013     -6.77846555849918      1.61951708410631
  H   -4.04206440116303     -8.23720272493360      2.55168074926410
  H   -2.05813873153148     -4.42621570494340      0.75525328832139
  H   -3.68142480608147     -5.12319100301471      0.88349661066335
  H   -1.20862010830997     -5.78240809211549      2.58617061959038
  H   -2.02281098824542     -6.90424346625948      1.45021435207472
  C   -2.91699897319605     -2.48502192199528      2.11911163058848
  C   -4.10652958920804     -2.04470115525552      1.21452603775813
  C   -4.08185252227399     -0.58500825121989      0.88668621651788
  S   -3.92895844022038      0.04293635457872     -0.61398725638309
  C   -4.22434785427216      0.38132627242824      2.03033757994567
  O   -4.33506349174772      0.03094851170097      3.19269886619002
  C   -1.54127720934553     -2.22307930562054      1.53123388494439
  C   -1.26655946999878     -2.28610295271931      0.15789151073519
  C   0.03309344278069     -2.09936817126885     -0.31820378948275
  C   1.08885182599322     -1.85693177981737      0.56160291470266
  C   0.79872202175525     -1.78659843140226      1.91900196926111
  F   1.80513270600280     -1.55068402933298      2.80041058529709
  C   -0.48822326027993     -1.94864278812795      2.41469505208314
  C   -6.90050841505276     -4.98966469843571      4.08608984504724
  C   -7.30294729233057     -3.87489912758696      3.07646699174651
  C   -7.23983831711725     -2.51363116463308      3.70288195593213
  S   -8.38345652308979     -1.32455608339923      3.48506353184387
  C   -6.11487515721881     -2.25798393783142      4.52527404612377
  O   -5.11921461696421     -3.05530344571017      4.58568434139360
  C   -7.96158650239784     -6.07752922803656      4.16000743411000
  C   -8.31013609999440     -6.62425879751070      5.39919684271917
  C   -9.26950378956468     -7.63662781773341      5.48325837138750
  C   -9.89164813319536     -8.12415195557573      4.33481572189695
  C   -9.53157052201832     -7.56390885610088      3.11201750951906
  F   -10.12988823138584     -8.02523268336546      1.98397548724615
  C   -8.59724412248277     -6.54924407837953      3.00035982394930
  C   -1.49397114719158     -4.71406404409493      6.49129819101291
  C   -2.29064553560724     -5.24816779165860      7.80467497274303
  C   -3.71141227260743     -4.99104445299538      7.60749482517378
  S   -4.57866400241296     -5.92460073437291      6.52689385533871
  C   -4.28675416817660     -3.74473991528320      8.17830042397537
  O   -5.38244142919274     -3.28697698868926      7.89985323612039
  C   0.01004502691663     -4.89464317531113      6.60720258308509
  C   0.78985786807579     -4.40699522945091      5.54374718563946
  C   2.17948589766251     -4.44896678776960      5.60262220946088
  C   2.82580082941759     -4.98607162956138      6.71919117535945
  C   2.03833164411358     -5.47085033433341      7.75480546012347
  F   2.63992383926944     -6.00365978273963      8.84517658272516
  C   0.64564136484906     -5.43397569202257      7.72594596144343
  H   -3.00071334096593     -1.90286427416131      3.04101448510873
  H   -5.01986316871189     -2.23972040797528      1.79929170853365
  H   -4.15227810772574     -2.63585154545353      0.29162918054966
  H   -4.21216108633093      1.46166179101385      1.72486460157313
  H   -2.07204811419304     -2.45906995266715     -0.55667217571771
  H   0.22808939572428     -2.14112687715807     -1.39046939333708
  H   2.11081608396208     -1.71255857657526      0.21119832115695
  H   -0.65810263037022     -1.83828103181282      3.48485078575692
  H   -6.86518191384409     -4.55008872924981      5.09415092103396
  H   -6.63399602560317     -3.92103576335067      2.20053185701657
  H   -8.32204760998632     -4.03342349109684      2.70579706421062
  H   -6.05885368403358     -1.32492137922309      5.10231579719194
  H   -7.82436119613494     -6.25061166761251      6.30235210194526
  H   -9.54109884303796     -8.04835664980391      6.45614712082608
  H   -10.64421487877246     -8.91105752288577      4.37406212633399
  H   -8.36686813058459     -6.14691110148347      2.01272663911275
  H   -1.69496939627414     -3.63757321840263      6.53514847857706
  H   -2.06206004674632     -6.31869849392365      7.90542886189176
  H   -1.87486620832986     -4.67968994728941      8.64864173230360
  H   -3.61627098309507     -3.23030928047081      8.91019938984684
  H   0.29612148367032     -3.99224012638378      4.66298983938982
  H   2.76920805667290     -4.05028096727742      4.77561768469552
  H   3.91223863514550     -5.03066948056222      6.79194650742523
  H   0.09747467285463     -5.83322548315021      8.57880755648936
  N   -2.82110482694437     -2.87667336255281      4.97629068043987
  H   -3.32409564939723     -2.03592103308896      5.24698788033808
  H   -1.81315650698318     -2.74539343215700      4.95887072925869
