91
Coordinates from ORCA-job /scratch/magstr/orcajob__5661740-0Hfx/orca
  N   -2.88034279994022     -3.61408724888917      2.63772578596753
  C   -2.52832743221634     -4.49380801521846      1.51787222415750
  C   -2.27143809117565     -5.88945997731461      2.05995483729659
  N   -3.34856356146788     -6.22691294050747      3.02023373628626
  C   -4.58438603107433     -6.67607673703519      2.34185597340714
  C   -5.75448152984754     -6.47486275346463      3.28233490254212
  N   -5.62972669611976     -5.16567856459569      3.92743141084894
  Mo  -3.89189935180470     -4.27803618076556      4.17011301360119
  N   -2.68838920051385     -5.14965407681578      5.44411690620466
  C   -2.04355206013947     -6.41566654285147      5.08099551215594
  C   -2.89705534503007     -7.16599806508271      4.07406633885329
  H   -1.90833458355821     -7.05475834398413      5.96735585794236
  H   -1.03403734782957     -6.23442587648021      4.66753601772225
  H   -3.78991173489905     -7.56357773558511      4.57525129841278
  H   -2.34370249123585     -8.01295323065239      3.63402852856338
  H   -6.69235104178094     -6.53873738022241      2.70990215278522
  H   -5.79214191291939     -7.27491780228939      4.04295435046110
  H   -4.71586570681560     -6.04666944099239      1.45110026619514
  H   -4.49846547827021     -7.72628849840515      2.01392973986791
  H   -1.63043609370110     -4.13316859415416      0.99941775626439
  H   -3.34271024521953     -4.49308693341017      0.77475249670806
  H   -1.32199746589288     -5.88328967804059      2.61283394473848
  H   -2.20329590786844     -6.64788041962170      1.26150951172471
  C   0.25441726254220     -2.12089950354517      3.28761622191038
  N   -1.12606621383464     -2.33822437143293      3.71709299461994
  C   -2.23902817201276     -2.27415071301347      2.74446714963015
  C   -1.85397767302459     -1.64448376733212      1.40112832320158
  C   -3.01607382008826     -1.53969233886749      0.44068690626466
  C   -4.24646780416418     -0.99227096091148      0.83270497993982
  C   -5.30675195854713     -0.90469115098156     -0.07238528093742
  C   -5.15636241867197     -1.36107156801688     -1.38920897270150
  C   -3.93442912392431     -1.89987168632305     -1.79402547790407
  C   -2.87663289323078     -1.98685435307828     -0.88354099249404
  C   -7.52233165464979     -6.73070061525659      6.28479309041003
  N   -6.72849281370729     -5.52620355687943      6.08551237192197
  C   -6.77672775329272     -4.79439425628711      4.83021363702898
  C   -8.12249739192927     -4.90151938270771      4.11534952243693
  C   -9.28131285371787     -4.20852341567138      4.80477468283542
  C   -10.53548220758899     -4.22777692506519      4.17673903727653
  C   -11.63876826014825     -3.60511411880404      4.75686271774063
  C   -11.50784798269907     -2.94535257565722      5.98147152906770
  C   -10.26753171748370     -2.91996855068188      6.61502544649318
  C   -9.16187520689316     -3.54704330425638      6.03233755016187
  C   -3.75625847700635     -5.17878879636459      8.36120668154773
  N   -3.17515495303311     -4.07303045612615      7.61956027973284
  C   -2.15525579436922     -4.37850118143935      6.65654401618016
  C   -0.94963168612974     -5.07559464883439      7.30121618279386
  C   -0.26828656025956     -4.22466178193867      8.34682532525893
  C   0.01538121024857     -4.77431869135404      9.60644217728414
  C   0.66645513329181     -4.02251689250136     10.58821152260315
  C   1.04251058942920     -2.70428081466981     10.31877458970323
  C   0.76710551438686     -2.15304333653946      9.06159175323811
  C   0.11840155220427     -2.91352781133004      8.08863134722744
  H   0.63154053555146     -2.83567054176302      2.53065444991159
  H   0.89270567935174     -2.20258847745903      4.17914890691509
  H   0.37794704533247     -1.10450557002129      2.88953004743280
  H   -1.18898478183147     -3.23501869037417      4.20129496970330
  H   -3.02465764522419     -1.63532668466257      3.17211808066558
  H   -1.02536520726050     -2.18400478534355      0.92198657385490
  H   -1.46575235421864     -0.63896582214713      1.63060368499248
  H   -4.38374339093193     -0.61844507982904      1.85357307340133
  H   -6.25402566020097     -0.47123029337838      0.25104127331365
  H   -5.98516760824142     -1.28942687867105     -2.09695390517234
  H   -3.80146397966603     -2.25268857981636     -2.82190509651854
  H   -1.92322657256094     -2.41111504368945     -1.20689459918300
  H   -7.36808171754525     -7.07368344323907      7.31903200515082
  H   -8.59276602384775     -6.49879673118925      6.17623586965154
  H   -7.28320370944723     -7.57587861765361      5.60862816401277
  H   -5.75444815504021     -5.65875089525383      6.36477581661564
  H   -6.60802644213942     -3.72942939270525      5.04431093592801
  H   -7.98820653029972     -4.45714952949382      3.11674670697777
  H   -8.39224184891452     -5.95454405648950      3.94679147479700
  H   -10.64497348700730     -4.74028481845295      3.21830251939538
  H   -12.60492653754746     -3.63488663290501      4.25284507830928
  H   -12.36982090650387     -2.45842763953257      6.43862404084035
  H   -10.15521570963539     -2.41279323482501      7.57414027623040
  H   -8.20672009485824     -3.54587080919274      6.55718124851784
  H   -3.05303840425193     -5.53151150206456      9.12891216169966
  H   -4.04380147808031     -6.04804970467875      7.73756342221559
  H   -4.65478494916462     -4.81632714286747      8.87832750159009
  H   -3.89579184816489     -3.49647724634984      7.18525635218197
  H   -1.81294087747538     -3.41433198512611      6.25945379003263
  H   -0.22075283221873     -5.33101494292865      6.51652878007667
  H   -1.26131302627813     -6.02617621111170      7.75926288092630
  H   -0.28437286087049     -5.80557226216105      9.82026928548344
  H   0.87682615291716     -4.46680738507782     11.56522853507088
  H   1.54836300108532     -2.10969163838910     11.08350066476667
  H   1.06277531369563     -1.12452615272473      8.84032662586930
  H   -0.07295352691494     -2.46521285135160      7.10712069512051
  N   -4.26645415659356     -2.78556866586619      4.99143000348738
  H   -4.43585716737366     -1.85203549896866      5.37417783055553
