127
Coordinates from ORCA-job /scratch/magstr/orcajob__5661784-rkLT/orca
  N   -3.10973745353011     -3.84588632936703      1.91167297851809
  C   -2.29135543099559     -4.88074726492268      1.26110978168606
  C   -1.97460988985627     -6.03804689558596      2.18451536000967
  N   -3.16522976854271     -6.42601286642411      2.95042205510824
  C   -4.30357716841112     -6.92467696150255      2.17329416164519
  C   -5.57005861847292     -6.72538797189888      2.98835496780647
  N   -5.64551311508479     -5.34554098038688      3.47611019829103
  Mo  -3.93062904067106     -4.29669981615290      3.68700927307483
  N   -2.74500326356502     -5.02640108136196      5.14456199093335
  C   -3.07437297316724     -6.42879498657362      5.39769132519888
  C   -2.83408837518420     -7.25731836967615      4.12562206574945
  H   -4.12902565010806     -6.53878129703412      5.70504133974410
  H   -2.47363839852973     -6.84344113277364      6.22340739890979
  H   -3.44356007986334     -8.17390907156757      4.12568899055806
  H   -1.78007561831685     -7.56482885905408      4.05745850866588
  H   -6.41923635642909     -6.97147194916639      2.33097690219663
  H   -5.59748114812011     -7.45936867482281      3.82088482572982
  H   -4.37436033686893     -6.33073650180783      1.25179626491339
  H   -4.18010855875303     -7.98774394837561      1.89127431263327
  H   -1.32835967445322     -4.47696464551450      0.90479184019536
  H   -2.80648196946164     -5.26372276605676      0.36208376180454
  H   -1.22651847391378     -5.72707244551230      2.92643962230442
  H   -1.55513199723426     -6.88450570381046      1.60448649773665
  C   -0.49199654487364      1.70372689117289      4.08149693371468
  C   -1.44918782442904      2.47397826518799      3.17404199990482
  C   -2.90732771737717      2.37540398501798      3.60116036728851
  O   -3.36579269705035      1.00590873027696      3.65635216844472
  C   -3.71125123915502      0.45003867706233      2.44986813283661
  O   -3.78649482751840      1.08466292290527      1.39851351360783
  N   -3.94226494520687     -0.87395013430224      2.60899694682073
  C   -4.42319711053781     -1.71107324240942      1.54310384021946
  C   -3.41864072394766     -2.73250545288061      0.94908344047250
  C   -4.12263374561925     -3.30691323493576     -0.32874765816239
  C   -3.21926311188437     -3.35742899470882     -1.56194426803782
  C   -2.71485777053354     -1.95724725616162     -1.94300104809361
  C   -2.31626831962699     -1.12003791816026     -0.70329562490349
  C   -2.12714809818066     -1.97723550249705      0.55289514046656
  C   -9.72003254132944      0.28291256911296      9.67752466809249
  C   -9.78183375579538     -1.07040289726628      8.96977813169067
  C   -8.46059137867927     -1.40304431269646      8.30560578281190
  O   -8.59994858897495     -2.69414565212408      7.66135997234664
  C   -7.48197969638303     -3.13948279564051      7.01880818639113
  O   -6.42257737288925     -2.51813655586778      6.97141256661191
  N   -7.71441418048619     -4.35807918746640      6.46139767555977
  C   -6.72626217059621     -5.02431228668628      5.63912454602732
  C   -6.94241954569964     -4.92593375572278      4.09811361315521
  C   -8.12538309915528     -5.85056439624208      3.72262000353344
  C   -8.70301619540078     -5.52399752073018      2.34579503425174
  C   -9.39911613118355     -4.14577052002791      2.36981875485745
  C   -8.81673504607816     -3.24784163979710      3.47608189435425
  C   -7.31521080153438     -3.48089572989818      3.65244161954663
  C   -3.62666786231446      3.16059918325083      8.49046560667908
  C   -3.80875387594460      1.86478269886108      7.70205428174848
  C   -2.51239897176236      1.08255662623775      7.60662534115752
  O   -2.77535887619047     -0.09402176517062      6.81847821474947
  C   -1.70819739520108     -0.93265546512467      6.63100898584311
  O   -0.60303708292381     -0.76079306926727      7.14227890804128
  N   -2.07685001606725     -1.95157535971174      5.81975603630933
  C   -1.22549731040748     -3.06478970229630      5.49290173512758
  C   -1.67930650203107     -4.46228079590718      6.00628192298654
  C   -2.18739164410334     -4.36238119702885      7.45993678312137
  C   -1.13237223530054     -3.88636472569915      8.47498846603666
  C   0.27065579720308     -4.47571249032403      8.20522249617305
  C   0.19011869256144     -5.71537538609294      7.31556291396152
  C   -0.39997689697323     -5.37153225042256      5.94217588733224
  H   -0.53842167379679      2.07236446041839      5.11761833377109
  H   0.54712811638113      1.80266254295911      3.73711592563981
  H   -0.73943310516474      0.63323825287368      4.10228309855594
  H   -1.36440976254884      2.11984138838668      2.13482570639431
  H   -1.18471229739506      3.54504618531984      3.16100579264708
  H   -3.55535732093090      2.94787166509576      2.92260795964013
  H   -3.04123190641305      2.74246307881041      4.62932366331620
  H   -4.00663574976676     -1.29136834652869      3.55254048267765
  H   -4.74284457683035     -1.05096612020456      0.72704675012041
  H   -5.30929802272492     -2.26530724020947      1.89152530051955
  H   -4.54075990725490     -4.29838138060832     -0.09775166909344
  H   -4.99197459453028     -2.67182041186110     -0.56734410541995
  H   -3.76535010878570     -3.80619911555393     -2.40672989567980
  H   -2.35773247674873     -4.01626055641931     -1.37102882216373
  H   -1.86175578065666     -2.05769418104914     -2.63173378929703
  H   -3.50240246623470     -1.42863673843878     -2.50324445289168
  H   -3.07592467429104     -0.35331750227271     -0.49516820589487
  H   -1.38609092557103     -0.56639563531341     -0.90051337921977
  H   -1.30616532704365     -2.68734107338847      0.38069007455216
  H   -1.82150979035922     -1.35141612096350      1.40403503159872
  H   -9.49191579502337      1.09334114743947      8.96905782693830
  H   -8.94171439318618      0.29008726669272     10.45529071968490
  H   -10.67828191918526      0.51894580279398     10.15980734769300
  H   -10.57709506508195     -1.06563855933302      8.20744629401301
  H   -10.03312398329753     -1.86529340769827      9.68989878256884
  H   -7.64083414223050     -1.45386307437176      9.03886565081270
  H   -8.18828512566428     -0.65202351471220      7.54785460062809
  H   -8.64419165941894     -4.74834334225344      6.57165219058926
  H   -6.68282963869793     -6.08991640476057      5.91883187777175
  H   -5.76009800025060     -4.57207863199889      5.89141798663073
  H   -7.83906948636384     -6.90645325239660      3.81470659414472
  H   -8.91658337846084     -5.70048443988181      4.47666397245864
  H   -9.40442560889848     -6.30797628930164      2.02362098524600
  H   -7.88533576812356     -5.51616054543076      1.60688471326551
  H   -9.28099630577025     -3.65499879255597      1.39131240654195
  H   -10.48183661606128     -4.27124790726280      2.52662139124478
  H   -9.33847923671731     -3.42674339963077      4.42915563235575
  H   -8.99238841939933     -2.18861525605478      3.23445872193982
  H   -6.88692001910288     -2.74597248653183      4.34298246765196
  H   -6.82307718718032     -3.30994865787373      2.68358196970047
  H   -4.57189384286536      3.71627003983958      8.56160876399089
  H   -2.88662512431709      3.81859462782502      8.00993184275745
  H   -3.27793744824266      2.95978876686441      9.51489316145763
  H   -4.57488641246271      1.23067817242408      8.17632181204786
  H   -4.16791872402986      2.08365164283861      6.68385011871486
  H   -2.14544315800119      0.78593468301432      8.60226795390244
  H   -1.72037191982003      1.67695663861281      7.12253395239099
  H   -3.01559557220487     -1.94598562732073      5.40236900424099
  H   -0.24118708785636     -2.83775105709215      5.91957928624135
  H   -1.10171469093316     -3.13941607232101      4.39648960066520
  H   -3.06227017318764     -3.69632101334292      7.47853962556103
  H   -2.55263694873754     -5.35837060848693      7.75414421249032
  H   -1.07004933182527     -2.79006277099523      8.47091284129967
  H   -1.47426925016727     -4.17672652941611      9.48071570470839
  H   0.77448589228410     -4.71460142744972      9.15380112437495
  H   0.90154248063003     -3.72191991542977      7.70535762967230
  H   -0.43479439913914     -6.48043902284875      7.80852255647089
  H   1.18576498614288     -6.16744760246887      7.18370588178121
  H   -0.62182218192636     -6.29938457418735      5.39905143704179
  H   0.36484556909793     -4.85413625539656      5.33872496792027
  N   -4.45479297290507     -2.77903384068165      4.53982758454204
  H   -4.95452187163526     -2.63662049637917      5.43611866958137
