81
Coordinates from ORCA-job /scratch/magstr/orcajob__5661777-3YsL/orca
  N   -2.60922056835659     -3.51971056033382      2.92941082134897
  C   -1.89211028015223     -4.29482917217860      1.91426978325104
  C   -2.07939742570690     -5.78665730944286      2.16703168270450
  N   -3.47883292502921     -6.07222380615928      2.55640384629285
  C   -4.36253505623791     -6.11395006096253      1.36275148267896
  C   -5.78901313685849     -5.75229047181611      1.75999806983571
  N   -5.76561535209753     -4.62776682576897      2.69547798537519
  Mo  -4.12673707760057     -4.47363938124995      3.86665660170816
  N   -3.82401682224779     -5.91804271998049      5.32761762348975
  C   -3.10419640662115     -7.07115045687677      4.78778657146152
  C   -3.57191013165582     -7.31876218667454      3.35588474278163
  H   -3.30693673454586     -7.99612959544366      5.36145431537047
  H   -2.00440774236564     -6.91795070746313      4.80665633111655
  H   -4.63130198246328     -7.60894203916191      3.38917480654745
  H   -2.98897593704117     -8.13700068142831      2.89704893974880
  H   -6.35751688960112     -5.49353227388389      0.84712678477346
  H   -6.29107568058648     -6.63654923024608      2.20549610267938
  H   -3.99790542509115     -5.35256148978213      0.66050781438885
  H   -4.32382223892266     -7.10131782181446      0.87140999986835
  H   -0.80903904859372     -4.08045353903163      1.93502225737581
  H   -2.25200773133899     -4.02838177695449      0.89789636638928
  H   -1.43329640016931     -6.07933561369977      3.00558382005572
  H   -1.78834567951066     -6.37325576651491      1.27956654675655
  C   -5.61400874011985     -0.15856516417829      1.39990214051207
  C   -4.20970384937460     -0.75795112723679      1.34892133759845
  N   -3.92920146269789     -1.49154613464545      2.58482397507391
  C   -2.56185217608384     -2.07650389724503      2.65973745822530
  C   -1.74862743561089     -1.28370979830649      3.71818846078513
  C   -0.24983538880642     -1.30021598557270      3.47855652692828
  F   0.26229817405629     -2.61861130472505      3.55858078060095
  C   -7.52504212720737     -0.67411086422145      4.54684133005007
  C   -8.02194983215776     -2.04458120466292      4.08572621085456
  N   -6.91247957039908     -2.76410375178552      3.48128662670253
  C   -7.09017059618529     -4.15230742427563      3.06208263222001
  C   -7.72160133124014     -5.08452668956195      4.16954505416804
  C   -6.79125344406658     -5.03208644915226      5.35732833603517
  F   -6.69475099269862     -6.25342394302345      6.04590321316931
  C   -0.47466590270817     -3.50376473455664      7.62755917196237
  C   -0.86014323186481     -4.32252541470821      6.39328649173742
  N   -2.31634274817457     -4.23964902895227      6.08626234319022
  C   -3.25914799019679     -5.32810801760800      6.52103183233503
  C   -2.69098542366399     -6.29895478422808      7.56608231224166
  C   -3.82577836646139     -7.10155826430315      8.18193440503238
  F   -3.30236459067896     -8.14572708487967      8.96804189411118
  H   -5.88048628100487      0.26780728510922      0.42296762383386
  H   -5.67558174551466      0.63514809841751      2.15953672032599
  H   -6.33897321822694     -0.93731835320480      1.67080736195231
  H   -3.45825702441477      0.04194155323990      1.24124289412254
  H   -4.12088284688636     -1.40727900946561      0.45102839410075
  H   -4.56565217360735     -2.29603616851369      2.61482310759763
  H   -2.04583782908746     -1.90858947943697      1.69008484384287
  H   -1.95705641209228     -1.70220659995921      4.70645328378211
  H   -2.08572196195313     -0.23682483292899      3.69710468088500
  H   0.00671982271208     -0.93377073921240      2.47130840370049
  H   0.28773752172736     -0.71767419704137      4.24231075087299
  H   -7.12677277172663     -0.10152642416722      3.69405201463345
  H   -6.71841578205673     -0.79413591195772      5.28467239162737
  H   -8.34246333208357     -0.10598052804503      5.00976782329830
  H   -8.82368017108570     -1.92079602451929      3.33788246010311
  H   -8.47060101634935     -2.57191386980143      4.95474547923397
  H   -6.10884241742645     -2.76630956858716      4.13095804511431
  H   -7.76914455779536     -4.16361924932453      2.18626371181484
  H   -8.74735902553604     -4.76116297093096      4.39268140768792
  H   -7.76150828234782     -6.11688848802171      3.79360865796198
  H   -5.78000536688998     -4.83011116939391      4.87629677512799
  H   -7.04567576053089     -4.28300336607927      6.12009145910686
  H   -0.78150838712345     -2.45559966026364      7.50065335006396
  H   0.61332410321683     -3.53503745062008      7.77338719269170
  H   -0.95942428385935     -3.89209721385569      8.53381268395779
  H   -0.32744147641759     -3.91822693225275      5.52193802184135
  H   -0.51949868798331     -5.36663401122599      6.52781733506980
  H   -2.45559923315636     -4.29361212679933      5.06501760984968
  H   -4.09832914327343     -4.81471378710231      7.02753716883970
  H   -1.96637508067681     -7.00032192181561      7.12859504708775
  H   -2.18015321500158     -5.72799980678344      8.35331151324517
  H   -4.44649830613813     -6.47563412406530      8.84182617714610
  H   -4.46212357165455     -7.55318283596787      7.40637404290270
  N   -3.84405426283375     -3.12222689724188      5.40550759803465
  N   -3.83655607343621     -2.16657189273739      6.28071472286170
  H   -4.31276001838198     -1.28172674449815      6.09895118730564
  H   -3.32174303196845     -2.27549802624854      7.16798622884263
