125
Coordinates from ORCA-job /scratch/magstr/orcajob__5658503-EJrA/orca
  N   -2.30792255262014     -3.93599720799938      2.49747718509954
  C   -2.31939405773191     -5.09333715536302      1.60531601464182
  C   -2.86950137745188     -6.30156839315611      2.35102331825795
  N   -4.10001467488891     -5.92845456651103      3.08854931397841
  C   -5.27449013221143     -5.75110637007326      2.20198778424648
  C   -6.28966977652130     -4.82439141430933      2.85806542432800
  N   -5.60218016938764     -3.67139596101208      3.43210989339422
  Mo  -3.68860904000807     -3.90686678344337      3.95077214902419
  N   -3.30920510214115     -5.05397885443981      5.52901585388599
  C   -3.43010394777433     -6.50219343748283      5.38843646165853
  C   -4.37680497926657     -6.82203486546058      4.23777082788444
  H   -3.84995229360775     -6.96274448436413      6.30041014248962
  H   -2.44435581268419     -6.98433217758518      5.22487370792471
  H   -5.40764956723586     -6.61859899376909      4.55881187068440
  H   -4.31155991019679     -7.88450649835981      3.93836953526341
  H   -7.02265937530169     -4.52268499274757      2.08840784870262
  H   -6.87033734644399     -5.38161839695899      3.62231523350633
  H   -4.91029917549561     -5.28707908058671      1.27536106627220
  H   -5.72675562925051     -6.72695307077602      1.94455870608783
  H   -1.30338990117777     -5.34971917839530      1.25343578385088
  H   -2.91941447701657     -4.90474531068270      0.69079852697429
  H   -2.13504071116204     -6.62581059045990      3.10123331394465
  H   -3.06036014802026     -7.14813554878681      1.66604269590261
  C   -0.42981907455264     -2.86486267490575      1.22573436506143
  C   -1.79405535644570     -2.69168505223987      1.90087480902644
  C   -2.83990006695622     -2.05017869938562      0.96957948036097
  C   -2.53608381016266     -0.59420712136437      0.58306175016801
  C   -3.74386992666464      0.06964272995245     -0.02316096001269
  C   -4.80361516319666      0.49011841017984      0.79558674729921
  C   -5.96015585252390      1.04076468435018      0.25154733888256
  C   -6.10466624735545      1.19704390562045     -1.13901209204175
  C   -7.33668512751138      1.77608685857833     -1.71771628733171
  C   -7.28844960399425      2.58392543180740     -2.86804382986348
  C   -8.45135615888449      3.12756376286046     -3.41306545147826
  C   -9.69152447082519      2.87714136634896     -2.82016278241668
  C   -9.75575362589346      2.07691991619234     -1.67657577432210
  C   -8.59257287341184      1.53299520104137     -1.13258961938250
  C   -5.04009392762051      0.78296196353416     -1.95708666853708
  C   -3.88412103753240      0.22899525287352     -1.40764744288836
  C   -7.33118979410105     -1.98049908297024      2.79608727854867
  C   -6.47747692485962     -2.59094949479186      3.91475933028303
  C   -7.36075390993647     -3.02694521888811      5.10216732813318
  C   -6.54432098961066     -3.46722446697395      6.32587993526294
  C   -7.24815514197459     -4.41904298639662      7.25571663614063
  C   -7.73214405800764     -5.64943718295947      6.78256466682658
  C   -8.36028106785348     -6.55697729538996      7.62925963173616
  C   -8.52783912044103     -6.27864810140482      8.99770882589543
  C   -9.20205324024157     -7.24153766782610      9.89456553293700
  C   -9.10730775693145     -8.62761563083645      9.67345390090277
  C   -9.74532172768687     -9.53598634075449     10.51756728229981
  C   -10.49277160708312     -9.07975878958100     11.60601147592565
  C   -10.59408718069404     -7.70709873839206     11.84063693637634
  C   -9.95697220063560     -6.80033269781422     10.99555170828749
  C   -8.03010364114877     -5.05547162393606      9.47607903696166
  C   -7.40666413914236     -4.14676061835207      8.62120014459014
  C   -1.21459875583531     -4.93868471173271      6.88371432759882
  C   -2.70191408826801     -4.57759805293863      6.78358758369975
  C   -3.52453939012282     -4.96827448271393      8.04171600265470
  C   -3.06961619686558     -6.18992521663420      8.86146338763163
  C   -4.02897813030360     -6.46146028675014      9.99172892450159
  C   -4.10777528525099     -5.59319554954396     11.09137091838951
  C   -5.04001065043246     -5.79547876352782     12.10500893783298
  C   -5.93071470831117     -6.88303063683166     12.06503484926755
  C   -6.93619692056700     -7.08514450980745     13.13003884347208
  C   -7.30791523366891     -8.37598315612561     13.54301869840483
  C   -8.25904226464965     -8.56267040669285     14.54472085500243
  C   -8.86207913110704     -7.46236313952385     15.15849064653806
  C   -8.50468423210034     -6.17235204573230     14.75797964608335
  C   -7.55347056894296     -5.98690182975464     13.75561491448391
  C   -5.83849024620293     -7.76276318302377     10.97493684654522
  C   -4.90962466104221     -7.55005417485210      9.95757129940248
  H   0.27475354363285     -3.37277197501911      1.90039283205357
  H   -0.00570463314811     -1.88388850341458      0.96839474366303
  H   -0.50224518451911     -3.44820910408873      0.29545233070010
  H   -1.65747420648660     -1.98928611722990      2.73856655295118
  H   -3.80227166544115     -2.07220060993466      1.50549572327681
  H   -2.96848603299646     -2.65615144780246      0.05652878148800
  H   -1.68871613478181     -0.54602719300382     -0.11776209126120
  H   -2.23725737891695     -0.04930042500954      1.49501490100721
  H   -4.71429662214535      0.38176147986889      1.87983915620903
  H   -6.75783471433245      1.37850491109446      0.91596249844694
  H   -6.32268881036639      2.80793921108434     -3.32480474789313
  H   -8.38762305830947      3.75886175600398     -4.30142335887573
  H   -10.60151215010845      3.30295076408419     -3.24613450807587
  H   -10.71985353867554      1.86728065052483     -1.20928743706651
  H   -8.65765256080686      0.88917808834843     -0.25337991498237
  H   -5.13000707458155      0.87223955152051     -3.04146408515598
  H   -3.07607686226923     -0.09622848587290     -2.06803693066247
  H   -8.11900609422572     -2.66842035240572      2.45332688189760
  H   -6.70593187349502     -1.70971167218633      1.93361780100758
  H   -7.82838465916216     -1.06902735677682      3.15971794470806
  H   -5.79364165214121     -1.80191103347643      4.26707576521678
  H   -8.01870278707977     -3.84877453736636      4.77635557920273
  H   -8.03216381502279     -2.19650342230258      5.37509832253407
  H   -6.20055766742230     -2.58473196130657      6.88771907497264
  H   -5.63225129312449     -3.97165725123232      5.95558294427917
  H   -7.62202924900595     -5.89844681468956      5.72389112517195
  H   -8.74861572376567     -7.49118773979435      7.21916079525397
  H   -8.50365090207849     -8.99778926494072      8.84269205590133
  H   -9.64885180020836    -10.60727083939872     10.33026069799954
  H   -10.98588494321592     -9.78969506601497     12.27200004414075
  H   -11.16848378674909     -7.33890357814362     12.69207899131477
  H   -10.05833916513038     -5.72989200032123     11.18094705418157
  H   -8.10554921965121     -4.82490043580041     10.54012773498117
  H   -7.01750613295173     -3.20910896959972      9.02591371376715
  H   -0.68124738899218     -4.54788757802756      6.00518800513409
  H   -0.76413586419324     -4.49771807004443      7.78606332315775
  H   -1.05078654914688     -6.02520275449594      6.92778824280396
  H   -2.75894397685238     -3.48243602688185      6.70585539236627
  H   -3.53485429040986     -4.10296506465764      8.72449956545242
  H   -4.57207391688728     -5.11336229202913      7.73665705992047
  H   -2.06149894856626     -6.00517139175916      9.26604502734721
  H   -2.99357224648944     -7.08561540207562      8.22740074804639
  H   -3.42160653300481     -4.74468634301014     11.15628045481622
  H   -5.06299837388483     -5.11350409528119     12.95736668219537
  H   -6.83243238620243     -9.24287628160974     13.08110806583754
  H   -8.52981271345461     -9.57524892344039     14.84973167722505
  H   -9.60752266560015     -7.60886509750557     15.94200811306802
  H   -8.97682499136883     -5.30461495798671     15.22281511759414
  H   -7.29988882899909     -4.97555685729176     13.43194141827910
  H   -6.53250588217684     -8.60136988553761     10.90212020045829
  H   -4.87602119417875     -8.23824373393467      9.10882739499238
  N   -3.33323140584298     -2.00088284983619      4.66387003473219
  H   -2.39090590004923     -1.60783969815859      4.72844271804096
  H   -3.87480764986765     -1.60573847109965      5.43703221303286
