126
Coordinates from ORCA-job /scratch/magstr/orcajob__5658510-DQUd/orca
  N   -1.57390167188082     -3.87271705047409      2.24988300368474
  C   -1.30448929898265     -4.95931452006635      1.30819265671812
  C   -1.42946017987508     -6.29057161059888      2.02515477957915
  N   -2.64620572002917     -6.28185380147551      2.87611176063500
  C   -3.89093994542765     -6.45589487851085      2.08735846366682
  C   -5.04526122840229     -5.82416031235628      2.84222688671334
  N   -4.62985438469563     -4.51229010489202      3.34761352815822
  Mo  -2.73605458570174     -4.21252633384659      3.81411150097942
  N   -1.93308060469777     -5.27755471397785      5.26164549459910
  C   -1.63057063423134     -6.69615138155549      5.06207234322303
  C   -2.55869331558160     -7.24988643380381      3.99870768024519
  H   -1.77688645764450     -7.27012689808539      5.98939770633815
  H   -0.57174074456366     -6.83446364807096      4.77598313208264
  H   -3.56831364974111     -7.35445677736017      4.41948729378646
  H   -2.22973496299428     -8.23802436362632      3.63468147766145
  H   -5.90147881608340     -5.72629830410158      2.15704096610261
  H   -5.38416629840889     -6.47530173206698      3.66961826155408
  H   -3.75455331811206     -5.93005342623159      1.13300098589054
  H   -4.06738920827288     -7.52379372073060      1.87403260792977
  H   -0.28398754977408     -4.88242202589989      0.90031365673640
  H   -1.99101850701061     -4.90810394970956      0.44074768417142
  H   -0.56517439749342     -6.42671317327049      2.68896263923840
  H   -1.45661572147768     -7.13529342434529      1.31648983394535
  C   -0.10231912912884     -2.35868880741206      0.86678017926267
  C   -1.35054191162611     -2.49923941572224      1.73530917135805
  C   -2.62232819709850     -1.99156330098991      1.03766651857791
  C   -2.66348154222495     -0.46889724035167      0.79646141983140
  C   -4.09341568449178      0.00643894716083      0.80569650690858
  C   -4.63966791739492      0.60994037286956      1.94714889840077
  C   -5.99843362794118      0.91084510873738      2.02909036080041
  C   -6.86634298556062      0.62042102553214      0.96296339447049
  C   -8.31654768800698      0.89304093123928      1.06217698089742
  C   -9.05161427617175      1.32796245519398     -0.05441131277077
  C   -10.42069585330753      1.57435246797886      0.04309212538414
  C   -11.08491808277692      1.38882993093442      1.25818415304341
  C   -10.36754717258202      0.95590160277296      2.37608662488935
  C   -8.99803243330500      0.71158512829752      2.27878395607000
  C   -6.31018731416309      0.05258483758022     -0.19707888096544
  C   -4.95226324012437     -0.24866941677481     -0.27272916315282
  C   -6.36206064652368     -3.12606183237739      2.18449659317923
  C   -5.73959408634648     -3.54617572014873      3.52039767533906
  C   -6.81215000714328     -4.06962744607175      4.48646339206072
  C   -6.27800317957095     -4.44369728976375      5.87347614292342
  C   -7.35885453008528     -4.95642716601442      6.78888779612051
  C   -7.98011634747378     -6.18941111477922      6.54233019121851
  C   -8.98861141008564     -6.66734365527684      7.37342625232044
  C   -9.41335151494032     -5.93389272985595      8.49636564007570
  C   -10.45596739268726     -6.46124951337111      9.40315363109729
  C   -10.59467909741684     -7.84486430130307      9.61503682717002
  C   -11.57298437924199     -8.34601789882005     10.47203989569758
  C   -12.43544031141388     -7.47404989485903     11.14060848675872
  C   -12.30822972175816     -6.09730773685946     10.94283393820422
  C   -11.33117712749591     -5.59722997527846     10.08363173122498
  C   -8.79427682894720     -4.69647588438517      8.73667552067004
  C   -7.79031721680088     -4.21832497254315      7.89638914463087
  C   -0.16411991190513     -5.25414733859795      7.04964796696571
  C   -1.48741815501766     -4.67186309282045      6.54752033480016
  C   -2.60374452641502     -4.68317707422231      7.60792120693627
  C   -3.08761808509914     -6.05863805347167      8.07488381593167
  C   -4.20399055920512     -6.00810161662503      9.09369760301283
  C   -4.19241266408237     -5.11406631363134     10.17409786147049
  C   -5.24177720832415     -5.07811869578010     11.09048280940585
  C   -6.34373171811312     -5.94186657983338     10.97056356534608
  C   -7.48689262500230     -5.86356955406299     11.90459050604075
  C   -8.20884976680774     -7.01296712232330     12.26861864032781
  C   -9.30293439371858     -6.93005395653960     13.12792046840781
  C   -9.70059378822519     -5.69506958669369     13.64401462303942
  C   -8.99272469322482     -4.54298721146763     13.29312579293822
  C   -7.89882501466467     -4.62683801374628     12.43249294242287
  C   -6.33890838301253     -6.85716543164544      9.90546456173588
  C   -5.29503664587727     -6.88057833894350      8.98509915281375
  H   0.78600017520614     -2.76048272863155      1.37465042123209
  H   0.07959996830790     -1.29336361771591      0.66863314452933
  H   -0.21186703367406     -2.86040573155880     -0.10534626876826
  H   -1.20475879780655     -1.87120361169296      2.62831637816538
  H   -3.46855084353820     -2.25611254090534      1.68877463322630
  H   -2.78213676932991     -2.53092293973142      0.08948770754402
  H   -2.16748722977224     -0.21141151230237     -0.15140021232625
  H   -2.10750264677859      0.04028043403677      1.60099395405788
  H   -3.97704371898973      0.87572302203883      2.77688317368332
  H   -6.39082984758575      1.40140700902214      2.92182078332261
  H   -8.53824357025785      1.49997970996091     -1.00219241604267
  H   -10.97095268572232      1.92179234565274     -0.83299810592885
  H   -12.15618519343638      1.58131501805677      1.33356882153869
  H   -10.87927152049478      0.79999774533527      3.32744186129290
  H   -8.45034166447158      0.35144097813646      3.15214725768544
  H   -6.96040257642835     -0.18411795328339     -1.04123325246537
  H   -4.55426502855070     -0.70992067693642     -1.18000405319637
  H   -6.93686859031801     -3.94145458287900      1.72214620012975
  H   -5.59410058343440     -2.79227280447541      1.47465566083800
  H   -7.05477560248586     -2.28828724943477      2.34657170934224
  H   -5.28927282791588     -2.65270802310565      3.97576070745135
  H   -7.32485187633149     -4.93630503070956      4.03804625100803
  H   -7.58181565266794     -3.28762326729769      4.58904073881809
  H   -5.79442451644776     -3.56405239623890      6.32910828905472
  H   -5.48821330953168     -5.20629952928642      5.76442536798121
  H   -7.67088573726252     -6.78774874829731      5.68058331959421
  H   -9.46588964367971     -7.62116978840947      7.14200724040905
  H   -9.90894971175454     -8.53589503903495      9.12141119112985
  H   -11.65594961705260     -9.42335832453374     10.62697198372984
  H   -13.20065148435476     -7.86504886348768     11.81308236410147
  H   -12.97860317183566     -5.40698815081795     11.45785252720889
  H   -11.25725066415652     -4.52048710110687      9.92230966100717
  H   -9.07196962839539     -4.12014576009960      9.62031629359912
  H   -7.31117233233376     -3.26240268923887      8.12273722599956
  H   0.61913074822209     -5.16661608014355      6.28380656119833
  H   0.16122454298712     -4.68711169189511      7.93281778780092
  H   -0.24116961735678     -6.30871989895229      7.34521475589563
  H   -1.29522701588449     -3.61260584602370      6.32535905458615
  H   -2.23238473594680     -4.10638311933659      8.47037430518554
  H   -3.46188881289330     -4.12297338138678      7.20184977841228
  H   -2.23829514422157     -6.62692097057137      8.49328798165545
  H   -3.45222028364040     -6.63422885102685      7.20981282454198
  H   -3.34924767349811     -4.43394539135390     10.31223679634804
  H   -5.19797062543511     -4.37752540195112     11.92636413951765
  H   -7.90003579303440     -7.98576268327737     11.88232768877010
  H   -9.85172695425283     -7.83515238017470     13.39196544521552
  H   -10.56157361384399     -5.62996468809020     14.31103033658695
  H   -9.30134115265293     -3.57120132681168     13.68293869305373
  H   -7.37019617937073     -3.71701807658463     12.14160942705380
  H   -7.19279990960952     -7.52051329399751      9.76424671619062
  H   -5.34003522107531     -7.57827390631125      8.14485739031432
  N   -2.86243881400582     -2.57963117220442      4.46789093079954
  N   -2.96153752854124     -1.32151799087825      4.84441694489356
  H   -3.61505231616924     -0.75336474290870      4.29625944177379
  H   -3.00710177287786     -1.16782863702249      5.85447845431713
