126
Coordinates from ORCA-job /scratch/magstr/orcajob__5655521-1t47/orca
  N   -3.19596611418871     -3.60909415830173      2.63660640194625
  C   -2.85080579751410     -4.43637174812501      1.47629847031795
  C   -2.59948105722691     -5.85466558890570      1.93591110175396
  N   -3.63913626392895     -6.24445339477542      2.92087040247357
  C   -4.93093326907891     -6.58092195968949      2.26967287197051
  C   -6.06303774535349     -6.34357497565234      3.25320837826043
  N   -5.88585051649994     -5.03725347205952      3.89599479639899
  Mo  -4.05700678605299     -4.39372186206541      4.22360769712713
  N   -3.07717601124976     -5.56530171318773      5.46005927367804
  C   -2.30348212710491     -6.68193714117453      4.90350183454948
  C   -3.14613207983361     -7.32507601196003      3.81531767647908
  H   -2.05950197361192     -7.42504526594159      5.67274664292412
  H   -1.33824906913600     -6.32827252149726      4.50505801407952
  H   -4.01907847791819     -7.81065694128413      4.27200910008034
  H   -2.58886645296675     -8.07904144550834      3.23387388006563
  H   -7.01896507988853     -6.38640934403599      2.70756794128137
  H   -6.09667363760098     -7.14775157304183      4.01117419572143
  H   -5.05157266722552     -5.90695692050532      1.41094923937727
  H   -4.91739002113167     -7.61989449135416      1.89943651838694
  H   -1.94031438216579     -4.05964023873125      0.98719299564761
  H   -3.65915588844069     -4.39705208292765      0.72329251231105
  H   -1.62853840879782     -5.89713416860565      2.44642276506728
  H   -2.57732452605827     -6.56445231374671      1.09180381463909
  C   -3.28676115366911     -1.66595399930716      1.03219986166601
  C   -3.00022484557419     -2.14774800397148      2.45429436079550
  C   -1.59956269660597     -1.71384436026991      2.96568663835091
  C   -0.42576290267595     -2.39981253077992      2.31930723558656
  C   0.03400118165522     -3.63096121820178      2.81243775726663
  C   1.11236536033602     -4.28804774842382      2.22751128564755
  C   1.78983295965693     -3.72914780839237      1.13458037664762
  C   2.98611259676083     -4.43269786301960      0.53008562816185
  C   3.96742536977789     -4.96116323971207      1.55601847830642
  C   4.49858524812680     -4.10985741816480      2.53786128286242
  C   5.40803349024907     -4.58687768016534      3.48140043040830
  C   5.80523635790463     -5.92744487331767      3.46110721047534
  C   5.28121439344758     -6.78418947101832      2.49268241582585
  C   4.36672069930893     -6.30276093174061      1.55001686719971
  C   1.33658242942710     -2.49951608331480      0.64155905494482
  C   0.24429655701895     -1.84682453294908      1.22033924113257
  C   -7.98891872324048     -5.23168835571030      5.22697021698517
  C   -7.12808297533072     -4.36418483832204      4.30773797202276
  C   -7.91119930771144     -3.84072497326154      3.07512940503002
  C   -8.93158114153380     -2.80120328684125      3.45457273280757
  C   -10.28174858470008     -3.12742402072627      3.64815998310392
  C   -11.20444741535261     -2.16095645144681      4.04419461921073
  C   -10.81141498616760     -0.83185258501567      4.25618919259057
  C   -11.81725211669196      0.20972164680483      4.69758569373680
  C   -12.36945207274225     -0.06326323706335      6.08129556669685
  C   -13.70349752612459     -0.44625048056187      6.26372240121605
  C   -14.20338763813209     -0.71486730674625      7.54119665035780
  C   -13.37175509981898     -0.60191702060936      8.65617753082117
  C   -12.03764859724339     -0.21881133244819      8.48568209496672
  C   -11.54251656120562      0.04545114541328      7.20896561224738
  C   -9.46486380616233     -0.50324071536420      4.05894490593842
  C   -8.54025248579108     -1.47250390145489      3.66565552528912
  C   -3.57910421095487     -6.80768090315005      7.57440987096413
  C   -3.20347543667657     -5.46954468243893      6.93182957902842
  C   -1.97696753300272     -4.78766067087464      7.60309882597102
  C   -0.63260364359839     -5.32903899770450      7.19880230281673
  C   -0.12711702704698     -6.54475350962624      7.68690505417629
  C   1.07018858407509     -7.06942258359181      7.20076338705111
  C   1.81011030650182     -6.39697084791462      6.21689292487214
  C   3.09704264459694     -6.97355307857158      5.67747583836553
  C   4.30380234906128     -6.72692674634546      6.56229725954120
  C   5.15024717517043     -7.78285245526394      6.92042877591371
  C   6.29205608215616     -7.55661590421524      7.69403590501969
  C   6.60221489255321     -6.26476615480991      8.12180638971448
  C   5.76059472950737     -5.20362629635636      7.77407615349960
  C   4.62146453838322     -5.43460278802357      7.00322256454813
  C   1.33293391860519     -5.15959924799031      5.76839664456422
  C   0.13561916890593     -4.63517080177986      6.25619772698197
  H   -4.28221167770434     -1.98959547279865      0.69659516420887
  H   -2.54126211525538     -2.02030352323276      0.30794549682911
  H   -3.26610535348504     -0.56740743717377      1.01639310224300
  H   -3.72382921709428     -1.65219758610189      3.11505024341448
  H   -1.52368814579162     -0.62390506221855      2.82564927016024
  H   -1.57925804492310     -1.90647141128406      4.04989768666870
  H   -0.46172369367902     -4.07428108313561      3.67717349918098
  H   1.45815872183821     -5.23646539092497      2.64514695912863
  H   3.50095557007776     -3.73481843128924     -0.15000372408593
  H   2.64229564676571     -5.27288065613211     -0.09602682826328
  H   4.18865809081554     -3.06232230947791      2.56250420555572
  H   5.80783707231043     -3.91378357771718      4.24179468652182
  H   6.50605255833912     -6.30196706769738      4.20852499553490
  H   5.57881349732384     -7.83427597441252      2.47291401773689
  H   3.95752068002155     -6.97929494724108      0.79543587009663
  H   1.85847006594245     -2.03572784503184     -0.19905816085479
  H   -0.07505006937886     -0.87929685310938      0.82553447628200
  H   -7.41125070299650     -5.55649119092001      6.10421775750552
  H   -8.85748297824994     -4.65728752761185      5.57656671127883
  H   -8.36647201214688     -6.12466950651243      4.70816745536018
  H   -6.81771833058478     -3.47659913209958      4.87568999387718
  H   -7.17641693202600     -3.40302136202474      2.38121070028327
  H   -8.40147950796866     -4.67897444936420      2.55584786708959
  H   -10.61435857999151     -4.15479874478584      3.48060528770493
  H   -12.24968412527553     -2.44175826863820      4.19365618207334
  H   -11.33746080248088      1.20052983235944      4.67831593938905
  H   -12.65155528811765      0.24472150193478      3.97988673261704
  H   -14.36035791946161     -0.52961965529671      5.39442089752512
  H   -15.24723478943200     -1.00921597896908      7.66412552856286
  H   -13.76069901697425     -0.80701859600389      9.65484001870636
  H   -11.38263078436292     -0.12161914770910      9.35363467370697
  H   -10.49820075900649      0.34196406350290      7.08161452985556
  H   -9.14022545852768      0.52997462071097      4.20499411940660
  H   -7.49633897717890     -1.18810258973772      3.50211584936765
  H   -4.45070856774690     -7.24695089180713      7.06798654257520
  H   -2.76076498522830     -7.53886150604010      7.55346561172705
  H   -3.84212610104520     -6.64132326378608      8.62811801417967
  H   -4.05155018322458     -4.79311908698562      7.11241131365550
  H   -2.01463238795473     -3.71831947158975      7.34419716184649
  H   -2.11938489119179     -4.86296653982163      8.69341242108694
  H   -0.67674111808038     -7.09258947589537      8.45551328728426
  H   1.44018169622105     -8.02048172061828      7.59165913247747
  H   3.29753832389710     -6.53917240545200      4.68420200518854
  H   2.98544545696504     -8.05875235938155      5.53237104294088
  H   4.91335168198579     -8.79532016703239      6.58405159824683
  H   6.93938518674115     -8.39321997389874      7.96344749042693
  H   7.49307120678239     -6.08465931881050      8.72563503136990
  H   5.99477204971965     -4.19024536271617      8.10576577840456
  H   3.96920554766624     -4.60001266662734      6.73726552226805
  H   1.90158125483342     -4.60405032890759      5.01968040794926
  H   -0.22009942098692     -3.66882315714315      5.89114684406858
  N   -4.43620304798775     -2.97252502394662      5.20587288833714
  N   -4.70795277238600     -1.93154196575415      5.95788273601317
  H   -5.17198328284586     -1.14631217562370      5.49560811800563
  H   -5.03485845993144     -2.12974390017978      6.90633989141347
