139
Coordinates from ORCA-job /scratch/magstr/orcajob__5679019-CKHl/orca
  N   -3.12203218455738     -3.53821096268116      2.61021793186788
  C   -3.14140611525651     -4.45301761778481      1.45439315129162
  C   -2.49266632064778     -5.76212624426872      1.84672712870594
  N   -3.14888421489930     -6.26361363780705      3.06917244876484
  C   -4.38491698010655     -7.03084362800540      2.80842120694251
  C   -5.35174006549002     -6.71679325864758      3.93661606049376
  N   -5.57679138483834     -5.25332061071699      3.96415959914139
  Mo  -3.88453607104496     -4.27411466196851      4.27972491154768
  N   -2.61638282561712     -5.19827206146710      5.48125524032055
  C   -1.53772721656393     -5.93393462311226      4.80972649265103
  C   -2.20508061412511     -6.98520854679362      3.94600326627164
  H   -0.84649906275504     -6.39969161699120      5.51945379980469
  H   -0.92910392014711     -5.25631782217541      4.18918345961812
  H   -2.77108533386103     -7.66732808940502      4.59469237012538
  H   -1.48677605254957     -7.57478210461829      3.35131730680832
  H   -6.29237540147315     -7.26199002818362      3.79333439141271
  H   -4.93212410064065     -7.06056335177732      4.89916717667732
  H   -4.81306895686118     -6.68831876266370      1.85797939614505
  H   -4.16854075173947     -8.10945124501193      2.72833850003590
  H   -2.62894884463993     -4.01789097396639      0.59263961436409
  H   -4.17742841178283     -4.62981410633371      1.12016181946442
  H   -1.43331897221759     -5.58306431994207      2.07672745850006
  H   -2.54805350458602     -6.50628663766094      1.03373324445185
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  C   -1.67147223251510     -0.62331402397564     -1.80688874951212
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  N   -3.05508400088968     -1.93353660582773     -0.09220604901644
  C   -4.19190153202459     -1.03274774408900      0.04815621903142
  C   -4.90491562861811     -1.31189005743462      1.36527060774255
  C   -3.92972683217389     -1.15176844857886      2.52600434776060
  C   -2.71501617301263     -2.09276118437839      2.40430284153373
  C   -1.65208982821200     -1.76485427135152      3.49568510595257
  C   -1.22742039077570     -0.27684405670065      3.62339933408139
  C   0.26302459603710     -0.31935760205206      3.98699143766416
  C   0.78139779246948     -1.50352523859107      3.16550777707229
  C   -0.31846933704980     -2.55842401288283      3.35185516744101
  C   -2.10356325142449     -1.84268105607748      1.00567758569593
  C   -10.45859186647075      0.34957939664247      4.04909218994090
  C   -10.06938686579478     -1.00692455232959      4.63469718929010
  C   -8.71151467460978     -1.47490888145342      4.11790263510660
  N   -8.35844689763504     -2.82954085876328      4.52778233878771
  C   -8.21989179651941     -2.96442879853502      5.97907046196779
  C   -7.55315422686638     -4.30185538899889      6.34065250401444
  C   -7.73509453873436     -5.32130971203934      5.21978588789530
  C   -7.02885830710318     -4.84651271830093      3.92379305685188
  C   -7.69689986293651     -5.48759917073765      2.66464566303886
  C   -9.20990812837749     -5.16509989314581      2.51093026685591
  C   -9.44103177401793     -5.08604663858949      0.99803189951080
  C   -8.17255222535409     -4.39367938171535      0.49237865903916
  C   -7.05366256840108     -5.05495065621728      1.31389159713721
  C   -7.16331058450360     -3.30353375279061      3.83769578707222
  C   -1.62794615738233    -10.75417210506480      8.63299351590272
  C   -2.00006857204954     -9.27944386458192      8.77269044055789
  C   -2.79816358558376     -8.78171416438684      7.55790192736709
  N   -3.22989843075841     -7.38645952533376      7.56725616445787
  C   -4.29083551506973     -7.09457198221563      8.53957079884202
  C   -4.39826568650503     -5.57961201981905      8.75096804967811
  C   -4.05096700343503     -4.83449342093029      7.46491637416744
  C   -2.59027363798652     -5.07816510765168      6.97834199109868
  C   -1.67075001012343     -3.89810143959226      7.37805293209365
  C   -1.70817769644193     -3.43693432721090      8.84674174330011
  C   -0.54177285826487     -2.43528459578154      8.94631035052281
  C   0.47766648339270     -2.86762615013459      7.85491606221119
  C   -0.16062391623541     -4.07902080394779      7.14668473294638
  C   -2.14947894401755     -6.41371399921357      7.62925782883568
  H   -0.52836214768977      0.17053363040878     -3.49211826152944
  H   -1.84251670555244     -0.92934598988768     -3.95948787555749
  H   -0.34899815926541     -1.58027752730646     -3.25276131632057
  H   -2.36382010803626      0.23302373065908     -1.77533361449930
  H   -0.87588437876721     -0.41255025264965     -1.07378310729551
  H   -3.20255476982234     -2.11077851703920     -2.15678105550621
  H   -1.71145096979720     -2.75491472678768     -1.45204100683844
  H   -3.88860130543785      0.03896679870272      0.02699951586127
  H   -4.86344154207267     -1.19734412962123     -0.80861810983025
  H   -5.75344081188523     -0.62194934012095      1.48730022336054
  H   -5.31395587202150     -2.33485763012601      1.34954257143020
  H   -3.55334863875855     -0.11595014257135      2.53016580097986
  H   -4.43010840102265     -1.31143492933437      3.48933307622991
  H   -2.12192395610987     -2.05370989837025      4.44523490450502
  H   -1.34526875620793      0.25341217701217      2.66595569016431
  H   -1.83544739602439      0.26263969332780      4.36250493310756
  H   0.78200212248907      0.62584104678427      3.77516873990349
  H   0.38701796086916     -0.53232574194023      5.06237332022590
  H   0.85519277229713     -1.21211243022063      2.10464679448379
  H   1.77286296581671     -1.85742845528687      3.48064378198844
  H   -0.12982668783205     -3.11713272429840      4.27946510579282
  H   -0.34865246062924     -3.29997622501619      2.54176097768468
  H   -1.28357435009978     -2.55055908730966      0.80796633511905
  H   -1.63144020956432     -0.84134855485947      1.05932312350651
  H   -9.71715208188468      1.12184803997479      4.30589907965234
  H   -10.52669943494352      0.30434046025943      2.95128514343641
  H   -11.43264158017956      0.68389269206291      4.43137260081678
  H   -10.05478305248506     -0.93907961057013      5.73369958641070
  H   -10.82461793896825     -1.76671410590743      4.37426660995622
  H   -7.92848526386374     -0.74328556768654      4.43514134620074
  H   -8.72711805087672     -1.45777209622055      3.01488929451047
  H   -9.22033794453061     -2.90213697302974      6.43075950170314
  H   -7.62281927480356     -2.12055460164035      6.39860029902747
  H   -6.47979705080178     -4.14605528860203      6.50969767219764
  H   -7.96675235950652     -4.68451173629602      7.28454805399590
  H   -7.34571298198086     -6.30500658355245      5.51925074089470
  H   -8.80604660009210     -5.45426176295989      5.01367403491125
  H   -7.61820588219452     -6.58027765212657      2.75485551448253
  H   -9.84099342971474     -5.92078742300537      2.99799646721993
  H   -9.44004946092708     -4.19849318464573      2.98134461886121
  H   -9.51001770779067     -6.09803480255329      0.56533497342292
  H   -10.36522564571285     -4.55151204506954      0.73645011290153
  H   -8.22647540454312     -3.31656756257073      0.72334404629405
  H   -8.01939745648763     -4.48826144385803     -0.59157113757836
  H   -6.19586448599142     -4.38559383037741      1.46721321037009
  H   -6.67165199904670     -5.93788290504330      0.77977698336675
  H   -6.25833963897734     -2.81463975605303      4.23968868539148
  H   -7.23529003363900     -2.99744476625242      2.78528574561421
  H   -2.52721632688478    -11.38373505809794      8.55137934572930
  H   -1.04993406858817    -11.10862820959933      9.49754009454375
  H   -1.01988785858283    -10.92704298364833      7.73131696999989
  H   -2.58607518179573     -9.13084838242657      9.69355401786226
  H   -1.08567782810158     -8.67337665243228      8.88200280258715
  H   -2.18746424725838     -8.93908204974388      6.65011969872848
  H   -3.70144900568984     -9.40498014507579      7.43827403372118
  H   -4.11336817353442     -7.58835901653512      9.51609560604207
  H   -5.23879503827567     -7.49804445535530      8.14319995262547
  H   -3.73581189419117     -5.25904721989701      9.56787144683704
  H   -5.42016602277818     -5.32148045289786      9.06475104926816
  H   -4.73381041925183     -5.19588087586238      6.68178051807261
  H   -4.23583497167073     -3.75849074838363      7.57672134937708
  H   -2.01179537444624     -3.04445676941714      6.76184910902295
  H   -1.52535334537003     -4.29600044960128      9.51202073003183
  H   -2.67033816996686     -2.99458089017528      9.13917835572245
  H   -0.90275320658869     -1.41523465834974      8.74874547695346
  H   -0.09934037221601     -2.42526112899660      9.95134886199491
  H   1.46055833795778     -3.11668333352208      8.27703863477413
  H   0.64106702785428     -2.05021023341540      7.13645801067213
  H   0.17411131576720     -5.01435314939202      7.62443521499715
  H   0.11905327868836     -4.13397468723693      6.08645737139175
  H   -1.82511330286676     -6.18988029084483      8.66552274504155
  H   -1.26660256130867     -6.84715896599233      7.14771775338431
  N   -4.28788531219701     -2.84569107605376      5.18201918868251
  H   -4.49493546633683     -2.02933170154304      5.76215226617541
