125
Coordinates from ORCA-job /scratch/magstr/orcajob__5661780-bHKZ/orca
  N   -3.27580307309989     -4.01710447546481      1.73470596824325
  C   -2.73618416946116     -5.12004171127152      0.92239930452629
  C   -2.27025248194879     -6.26155831836967      1.80196047560967
  N   -3.25991222397484     -6.50776900128568      2.88724107387272
  C   -4.51379928461969     -7.14252887894418      2.36837163227539
  C   -5.68973650573266     -6.88184198842782      3.30950588656911
  N   -5.65267525289647     -5.46710445321256      3.65315953961028
  Mo  -3.91862915059877     -4.58034137196422      3.57551889061816
  N   -2.74225704982843     -5.07829160928233      5.13024777871601
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  C   -2.65520572885759     -7.26845614869741      4.02968305023689
  H   -3.87553374713462     -6.77491376188600      5.76081523535930
  H   -2.14490443090894     -6.90848831246079      6.07452384888064
  H   -3.07310008228231     -8.28746912395821      4.05923845277538
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  H   -5.61439019989629     -7.53376754821802      4.20208821352503
  H   -4.72837803736113     -6.67509820540152      1.39812511264914
  H   -4.34937484236265     -8.22267853168489      2.21049660685043
  H   -1.86586788954187     -4.81735938331762      0.31050686845173
  H   -3.48464249946601     -5.49168585708955      0.19268420591005
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  C   -3.28807709572819      0.18838233437379      2.81494771569652
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  C   -2.32270461287082     -1.21110776356426     -0.72792038304226
  C   -2.15254797569371     -2.18113768995515      0.44473921996914
  C   -7.83730313432162      0.08285762489496      9.42109087609684
  C   -8.06334474105836     -1.01199312127457      8.37955532439721
  C   -8.39234637172920     -2.34289888028052      9.03820627895738
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  C   -7.60979078989461     -3.99767846085127      7.51650451969431
  O   -6.45476445089801     -3.84851939009112      7.90020275016121
  N   -8.01412221297997     -4.82019111761267      6.51025004298092
  C   -7.07914672095626     -5.50715958554255      5.64008123782195
  C   -6.76287952907471     -4.78235187521115      4.30617434120889
  C   -8.01629810938011     -4.70585750186812      3.40221755604070
  C   -7.85787118134303     -3.60976202361462      2.35104232958241
  C   -7.86092486268973     -2.21534813319442      3.00604613939517
  C   -7.25847260014616     -2.24441183729617      4.42544828151560
  C   -6.21343945471574     -3.35249357309082      4.60053196802140
  C   -5.96336505928700      2.81825847558111      6.63300604157006
  C   -5.65416203912626      1.39699087240202      6.16569393723207
  C   -4.71900156032882      0.68589652333719      7.12858909957362
  O   -4.45824948882664     -0.64786288301069      6.63705199997917
  C   -3.14350270076569     -1.01269587212425      6.52803825250947
  O   -2.19553901461311     -0.35943971525005      6.94427311460829
  N   -3.05870399340529     -2.20390486707364      5.86916165982294
  C   -1.79910496118083     -2.90480660328365      5.70337892782779
  C   -1.86683611338821     -4.38939668271291      6.09420046656661
  C   -2.40313329482619     -4.53410708419286      7.53591682260016
  C   -1.53376103430414     -3.82102798150096      8.58450237421193
  C   -0.01835551836687     -4.02939022345345      8.34445614002681
  C   0.23966097889836     -5.19456455123306      7.38794038948816
  C   -0.40319806619581     -4.94023742558651      6.01854629534335
  H   0.35422252156076      1.07360768011448      5.23226338580048
  H   1.25690915794912      1.00651513786837      3.69828945060716
  H   -0.07265955024548     -0.13285842631556      4.00582108510799
  H   -0.80693671797854      1.71922121874052      2.43672280073571
  H   -0.37262701792329      2.92359273356611      3.65411540693962
  H   -2.80161573347914      2.53437325810710      3.65439915393056
  H   -2.09143453438465      1.98415097641741      5.21283194595938
  H   -3.40943794681835     -1.68080105170241      3.62695714433292
  H   -4.55636040634772     -0.92085318171809      0.99733233615235
  H   -5.24012344632212     -2.20830037366889      2.00332218802770
  H   -4.94830315290628     -4.05119016197670     -0.16574106544652
  H   -5.13675260194414     -2.33438426870206     -0.48500562145291
  H   -4.25056031261956     -3.52127957231584     -2.49069372851712
  H   -2.84123299172963     -4.04324517558770     -1.57616784840987
  H   -2.04921518014707     -2.11553759285729     -2.70160757838632
  H   -3.56577995942713     -1.23841017841104     -2.51368422866614
  H   -3.00190134022407     -0.40236442298614     -0.41867902263176
  H   -1.36142839873732     -0.72268536414605     -0.94855822537936
  H   -1.44637946287759     -2.97521942913670      0.15941021840103
  H   -1.70442757381472     -1.67010952704287      1.30975869258423
  H   -6.98969212363195     -0.16368519618030     10.07807686401020
  H   -8.72567875102860      0.22121074078382     10.05613959076918
  H   -7.61834954196169      1.04577707525472      8.93951047919269
  H   -7.16389704075274     -1.13677743513264      7.75734282543415
  H   -8.88990331122611     -0.73380365877385      7.70601062500155
  H   -9.30334453006736     -2.26880801593278      9.64851861324336
  H   -7.56062635076915     -2.68631421313955      9.66994945760006
  H   -8.99941110351225     -4.79587890896218      6.26923528185817
  H   -7.47661345518036     -6.51125812374552      5.42413246921259
  H   -6.13832109990098     -5.62283467852329      6.19687619719899
  H   -8.17662363200954     -5.68894882409716      2.93310552705999
  H   -8.91511849050148     -4.50406232638632      4.01081299438885
  H   -8.64751905371070     -3.67589377692128      1.58819752579857
  H   -6.90197474045306     -3.77897657474781      1.82673254230749
  H   -7.30569248532244     -1.50747008989281      2.37247680579484
  H   -8.89154264099557     -1.83142871762531      3.06327966232484
  H   -8.05483118847841     -2.41634771344298      5.16610890431700
  H   -6.80955295201499     -1.27397900886873      4.68019625688265
  H   -5.80445751812930     -3.31792354829448      5.61739961199443
  H   -5.40103576785555     -3.08659807805554      3.85020231342964
  H   -6.64854369546113      3.32212886825585      5.93764839126863
  H   -5.04650279943286      3.42333993067414      6.69864160567519
  H   -6.43464562165248      2.82012331391530      7.62802327657914
  H   -6.58607381765077      0.81641758502979      6.06984483870443
  H   -5.18527723049847      1.41532806738605      5.16916599871367
  H   -5.17442846843553      0.58775419424488      8.12692059369661
  H   -3.76346690218058      1.21777421975530      7.23437079389565
  H   -3.91427633532388     -2.74945351212467      5.78585883243630
  H   -1.05305419879907     -2.37912198493429      6.31176185338196
  H   -1.46418763672858     -2.84988280337835      4.65071299196638
  H   -3.43768333623943     -4.16299118918156      7.57896300351164
  H   -2.45708767455776     -5.60707582957688      7.77503029866970
  H   -1.76414369768887     -2.74515773470233      8.59035419978793
  H   -1.81320071815778     -4.19934315129477      9.57986752598005
  H   0.50006132623395     -4.19708874116130      9.30030465260527
  H   0.42539922497287     -3.11649269399223      7.91336994758160
  H   -0.16791807823958     -6.12262545398682      7.82451442323038
  H   1.32125471673748     -5.36174119587409      7.26474046770088
  H   -0.39436541141899     -5.86610093076417      5.42555231223999
  H   0.21142377343153     -4.21898876157543      5.45331038847095
