126
Coordinates from ORCA-job /scratch/magstr/orcajob__5655520-N599/orca
  N   -3.26736786005136     -3.32444899855545      2.10189198373991
  C   -2.89980170643446     -4.27139072657648      1.04892781399034
  C   -2.63540146705665     -5.65112781676903      1.63355789624042
  N   -3.65064530043520     -5.99989541061872      2.64995587053201
  C   -4.94306627701103     -6.41409258144470      2.06488257590551
  C   -6.06919967442144     -6.14553348389920      3.05583177904018
  N   -5.89743975975799     -4.81896764861164      3.64760491542633
  Mo  -4.08081181664179     -4.05294930841168      3.79009414522003
  N   -2.89359426721589     -4.97855248202212      5.09797099001549
  C   -2.22720712023927     -6.20324209973585      4.64190188052787
  C   -3.12981531263559     -6.94699125181878      3.66069931992268
  H   -1.99363629804829     -6.88068766520828      5.47824932253160
  H   -1.25484932845272     -5.97741247689198      4.16707556384521
  H   -3.99149511267306     -7.35341192290210      4.20870100191680
  H   -2.59883421193349     -7.78788864935058      3.17478061305557
  H   -7.02945576562110     -6.22961632729110      2.51614957776045
  H   -6.08660651325196     -6.93267452674966      3.83583220748680
  H   -5.10131628261445     -5.79834468065537      1.16806034425824
  H   -4.92167275883011     -7.47651572085779      1.75518733801156
  H   -1.97887082510663     -3.95998048656246      0.52660078213730
  H   -3.68954818481372     -4.33170440975924      0.27189559219345
  H   -1.66216916018513     -5.63587473273228      2.14100981424367
  H   -2.59412283880291     -6.41901661752829      0.83787356345038
  C   -3.26026079236536     -1.55209322903632      0.31141067173506
  C   -3.05702457508140     -1.90727825530257      1.78826972820347
  C   -1.68122060182315     -1.39091645573930      2.31791142553205
  C   -0.49337735839492     -2.22145295290180      1.92674241612933
  C   -0.16789005669124     -3.36564179024778      2.67364871557195
  C   0.90739698039414     -4.17562144695289      2.32119571897145
  C   1.71332337611831     -3.86402720434175      1.21685712832350
  C   2.90168010298446     -4.73418689418924      0.86726309384395
  C   3.79365267754742     -5.05054363415302      2.05018352409347
  C   4.26764163325377     -4.02291485256917      2.87993166556013
  C   5.09368157705089     -4.30533529634288      3.96789889433807
  C   5.46011276910271     -5.62442836003496      4.25151707164261
  C   4.99081890576639     -6.65502793572832      3.43628209465181
  C   4.16337702905869     -6.36842215851931      2.34614530123214
  C   1.39790053715473     -2.72003795888436      0.47455981996497
  C   0.30878920139196     -1.91415601731117      0.82043426243448
  C   -7.77660592045111     -5.08402396204015      5.27786077118165
  C   -7.10824568922827     -4.21197266215408      4.21260083086036
  C   -8.10493169386924     -3.78934441249007      3.09946444493671
  C   -9.14270056658029     -2.82082871673582      3.59821214956396
  C   -10.47085529392927     -3.20890315088227      3.82711096307556
  C   -11.41020167279195     -2.30850575041299      4.32809926943668
  C   -11.05457132312345     -0.98363149548754      4.61631624690694
  C   -12.07726040067376     -0.01094119210602      5.16177262478501
  C   -12.70289840703876     -0.45653333940881      6.46718361730040
  C   -14.09294718785390     -0.54314732161489      6.60929944143815
  C   -14.66779104738469     -0.94784919450511      7.81770389914131
  C   -13.85494706764289     -1.27322115904815      8.90445705343643
  C   -12.46475827507087     -1.19304631117354      8.77333088300385
  C   -11.89600686773232     -0.79110028327070      7.56523953293876
  C   -9.72886516524534     -0.59383549582086      4.39000347379213
  C   -8.78865286252865     -1.49576632777951      3.88978314700152
  C   -3.40435694064942     -5.77542358787902      7.40692733044522
  C   -2.81304555962931     -4.66432545984198      6.52988819529216
  C   -1.40931539103887     -4.18791603824179      7.01036704296161
  C   -0.26359574077075     -5.16134324046866      6.91145136704998
  C   -0.12716096322411     -6.24088350305223      7.79695593545184
  C   0.91744185755968     -7.15721231939877      7.65875149129836
  C   1.86936588028707     -7.02441791492685      6.64042514582198
  C   3.00547037152882     -8.00455979172319      6.50309484606494
  C   4.35102812343139     -7.52550662323413      7.02230313274567
  C   5.49861862851439     -8.28560590820418      6.74935798255996
  C   6.75543626094323     -7.87411328549964      7.19120285211953
  C   6.88805776783199     -6.68799635171800      7.92068803624195
  C   5.75231189917950     -5.92895087989226      8.20570186681739
  C   4.49415687272834     -6.34556356473882      7.76040798688087
  C   1.75750313160725     -5.92686366219738      5.77502731427797
  C   0.71308277838612     -5.01441290698799      5.91465296491869
  H   -4.24004470944028     -1.90288488178378     -0.04386708894408
  H   -2.48518066123498     -1.98382900457649     -0.33772800284498
  H   -3.22674926205256     -0.45984855919382      0.18923909791015
  H   -3.81257946728707     -1.34825701185948      2.36204568328800
  H   -1.54912230890790     -0.34949049393786      1.98143956877997
  H   -1.75128801704435     -1.37281645783336      3.41631371847209
  H   -0.78660568552716     -3.61922242850403      3.53690348792079
  H   1.14502616807487     -5.05278738211548      2.92762586674336
  H   3.49172279020447     -4.23021667899275      0.08391875968959
  H   2.55353218379679     -5.68270773103857      0.42524326937583
  H   3.97235843537367     -2.99139146241554      2.67417612643551
  H   5.44845675137845     -3.49306008442530      4.60523996871166
  H   6.09214069623774     -5.84928771779407      5.11153925719385
  H   5.26354029602911     -7.68906850697895      3.65610340619831
  H   3.79403634169055     -7.18066543006906      1.71472478411092
  H   2.02174424650401     -2.44846920820632     -0.38108064235562
  H   0.08932733472567     -1.02155404478191      0.22911569495261
  H   -7.05706100032693     -5.33285784739844      6.07130585429363
  H   -8.62314689676364     -4.54981329409886      5.73269394161322
  H   -8.16439052896031     -6.02281635883167      4.85325026385316
  H   -6.76439915089105     -3.28550307625996      4.69497315742039
  H   -7.51100527189161     -3.32103331828180      2.29891880266968
  H   -8.60075398350672     -4.67533218274863      2.67192107405350
  H   -10.77132004825630     -4.23701133977424      3.60894063077731
  H   -12.43633177896420     -2.63954485614865      4.50679169243424
  H   -11.59252752661548      0.96884435527971      5.30405566256798
  H   -12.87836965998014      0.14335477370620      4.42080639458859
  H   -14.73280871482042     -0.29095809125318      5.75987531239919
  H   -15.75398887893038     -1.01154731876788      7.90740035270862
  H   -14.30028026441962     -1.59104855229271      9.84879338193146
  H   -11.82102366694752     -1.44811894083733      9.61742826948296
  H   -10.80911086661205     -0.74384043671930      7.46392600984482
  H   -9.42969257990732      0.43489374023725      4.60750118799807
  H   -7.75802688954165     -1.16964912250276      3.72551783472239
  H   -4.43748119242337     -5.97945761992305      7.09047337219893
  H   -2.83661775359177     -6.71460041691781      7.34865717322483
  H   -3.42044916725316     -5.46548743002116      8.46258477365471
  H   -3.45604815669451     -3.78181042983435      6.66642346602716
  H   -1.15962402383571     -3.28678773326655      6.42809015249837
  H   -1.52854381135742     -3.86715308818373      8.05938730683246
  H   -0.84466896295596     -6.36707397143029      8.61022252722598
  H   0.99893757191374     -7.99207216414868      8.35987833821744
  H   3.13085457207965     -8.27171503288342      5.44033176821240
  H   2.74260931755679     -8.94076873686150      7.02352373463676
  H   5.40260777134765     -9.20825424853901      6.17064882523149
  H   7.63650874934523     -8.47618591456467      6.96057152578187
  H   7.87113114051515     -6.35979049354578      8.26254699431370
  H   5.84316346453244     -5.00170719095125      8.77486529617917
  H   3.61361342540107     -5.73866194184414      7.97669715339587
  H   2.50447858913887     -5.77913267997041      4.99028824431352
  H   0.64958853882696     -4.16446905633476      5.23239978557506
  N   -4.39671559857289     -2.45468566891844      4.65160285002125
  N   -3.79207228866902     -1.54084757523476      5.43803023219624
  H   -4.21291913030160     -0.61083371642013      5.41579618102207
  H   -2.76282557895999     -1.50481565886188      5.40519725681319
