128
Coordinates from ORCA-job /scratch/magstr/orcajob__5661786-84QT/orca
  N   -3.02347116808602     -3.69667033159057      2.16285318164000
  C   -2.23831547552525     -4.71975445626968      1.46092051534174
  C   -1.93917227571048     -5.90216878388246      2.36382352750091
  N   -3.14365134067608     -6.30056687682360      3.11926359683611
  C   -4.23873429413966     -6.84450019123439      2.30045613943001
  C   -5.54790394907526     -6.67121155705206      3.04743308985751
  N   -5.68824312700504     -5.28572561512813      3.52119131115455
  Mo  -3.95256406038871     -4.30768496594368      3.83880660051444
  N   -2.80515863274188     -4.92133040070304      5.37003776551182
  C   -3.10190396366016     -6.33904568685422      5.58414395751610
  C   -2.81246138901570     -7.14195070209734      4.30170432069510
  H   -4.16260720980323     -6.48015821137296      5.85892822537873
  H   -2.52033006161779     -6.75561127119310      6.42327390303518
  H   -3.40078390809402     -8.07143528889204      4.27198215256395
  H   -1.75046571415726     -7.42089394281476      4.24666046437223
  H   -6.35153868184734     -6.95204374041284      2.34828500545039
  H   -5.59878936745197     -7.39977475305933      3.88368186127443
  H   -4.27690270073064     -6.26529051439251      1.36814540554152
  H   -4.06648503913238     -7.90620740224850      2.04222879108360
  H   -1.26741376064837     -4.32227205269803      1.11866317633531
  H   -2.76605885140908     -5.06058400874699      0.54652120539939
  H   -1.19672038919565     -5.60503328757554      3.11702214762474
  H   -1.52470492667701     -6.74674223730624      1.78052522826173
  C   1.12742923782662      1.52811695290850      2.87127745667686
  C   -0.05839042747434      2.39465287207781      2.45058676757661
  C   -1.23370664111676      2.31480976043687      3.41338401568539
  O   -1.71999785186920      0.95938345276582      3.54567922418629
  C   -2.67466823273109      0.57682882501783      2.64165714535028
  O   -3.17853250061285      1.32663489085660      1.80831054504633
  N   -2.96195827862419     -0.73927627757577      2.81169734709357
  C   -3.98778951840463     -1.41395634165962      2.05351169756921
  C   -3.49885330600369     -2.62456830829776      1.23154280609875
  C   -4.70890202002631     -3.14100137626588      0.38650380203133
  C   -4.67377345805313     -2.73100445109589     -1.09184259217602
  C   -4.24633156690125     -1.27231097369202     -1.25134169474122
  C   -2.82965619242515     -1.03668255399846     -0.67708800436933
  C   -2.37738612758634     -2.15500895270712      0.28049118250123
  C   -10.75945419161979     -1.22991044726602     10.39633754251978
  C   -10.61839638982815     -2.39120020275125      9.41275198353375
  C   -9.24174745230591     -2.41136807753513      8.77813598642082
  O   -9.18854566340868     -3.53671727311772      7.86835595393616
  C   -7.98253484501457     -3.72040960728610      7.24980629254023
  O   -7.00085082180911     -3.00642527521249      7.42579023312612
  N   -8.04423849225087     -4.80351631710359      6.42785785098064
  C   -6.91579490272371     -5.23188361442695      5.62683974588004
  C   -7.02775580888384     -4.95061691393091      4.10423424813333
  C   -8.17085559117601     -5.81002328614612      3.51993451172847
  C   -8.51689365213506     -5.41982421125307      2.08190706219245
  C   -9.04715217896282     -3.96575289982636      2.00910260098424
  C   -8.78947975193252     -3.20963771940533      3.31802266880975
  C   -7.37058528269027     -3.45342397903469      3.83389148813792
  C   -3.34788292413625      3.74099017880646      7.19385920884174
  C   -3.58273171457909      2.33125472986663      6.65408197471117
  C   -2.44625443103808      1.39668376297865      7.02419368130647
  O   -2.74678317126858      0.09848025549064      6.47788303743995
  C   -1.68117293996022     -0.75662304240781      6.35763842339982
  O   -0.55569599371182     -0.50937722571552      6.78844025582331
  N   -2.07342180829188     -1.87105735064360      5.69390801760438
  C   -1.20675062393636     -3.01474863345462      5.54681384784178
  C   -1.70306381937728     -4.34477728340918      6.17527151506397
  C   -2.18817479703042     -4.12092146901734      7.62245170655200
  C   -1.10628577206095     -3.59210702982541      8.57850703854005
  C   0.26455896458547     -4.27795383580198      8.36923277736930
  C   0.12471351777015     -5.56902393331583      7.56271077041485
  C   -0.44616495941237     -5.28652921943260      6.16782339980385
  H   1.50733251145419      1.82834600082684      3.85986793625173
  H   1.95420282377376      1.60960129394141      2.15145859579016
  H   0.83718576956262      0.47009836926932      2.93686892810124
  H   -0.40793481065262      2.11089988651209      1.44506105951253
  H   0.24443724816687      3.45357135275921      2.38859191243586
  H   -2.05886480733560      2.96269090618923      3.08770543382491
  H   -0.92678941722055      2.59415256554408      4.43190965734068
  H   -2.54641665044224     -1.20438540912138      3.61882268918174
  H   -4.42618704255324     -0.67079108026076      1.37743810487769
  H   -4.79496658190619     -1.75450832358031      2.71927549101985
  H   -4.75734768662858     -4.23692322176813      0.46667958317513
  H   -5.63771324234326     -2.77019251417986      0.85358739588322
  H   -5.66313053197841     -2.89964263391353     -1.54553350140841
  H   -3.96878989961001     -3.37872826690297     -1.64042225063118
  H   -4.28329188989111     -0.97404102206954     -2.30969634747916
  H   -4.97689624035944     -0.63126180859214     -0.73029672522945
  H   -2.79440138431436     -0.06482090764407     -0.16596527686983
  H   -2.09833673004574     -0.98355785489782     -1.49853460910145
  H   -2.03491955261173     -3.00874522524189     -0.31974567636736
  H   -1.51556183522655     -1.81651457529173      0.87541224047570
  H   -10.61326252498280     -0.26164039279219      9.89443484136915
  H   -10.01775741749289     -1.30163966458850     11.20596343322115
  H   -11.75737301023878     -1.22206779910112     10.85539428835246
  H   -11.37997067409466     -2.31408301940375      8.62046599175751
  H   -10.78976026306695     -3.34930011964034      9.92890311197697
  H   -8.44980675743225     -2.52135705123442      9.53510477735061
  H   -9.04250723314437     -1.48515031367103      8.21630150932844
  H   -8.91826155210916     -5.31727549223393      6.40334168869887
  H   -6.75043302988698     -6.31165607564164      5.77915001755901
  H   -6.04022306254952     -4.69359607850320      6.00849071725463
  H   -7.94026350065413     -6.88089266599391      3.60656324209235
  H   -9.06093431907639     -5.65096208299846      4.15008358308124
  H   -9.25532338598254     -6.12357706352473      1.66969145003741
  H   -7.61516562377739     -5.51720692896099      1.45713308616712
  H   -8.55186539027652     -3.43245855115511      1.18227391808605
  H   -10.12414091826002     -3.95953227362584      1.78187026617400
  H   -9.52343397908399     -3.51030380490225      4.08336756720372
  H   -8.93916985531506     -2.12965824149645      3.16491199368987
  H   -7.19837395803726     -2.86072283412140      4.74092957378995
  H   -6.65785278779323     -3.09232465540078      3.07701011406476
  H   -4.17599365198306      4.41095932173231      6.92436122707590
  H   -2.42107300967026      4.17379394721926      6.78696965089908
  H   -3.26091092978166      3.74007081916489      8.29113045145829
  H   -4.52795286866911      1.92408348485386      7.04721660562639
  H   -3.67827109698467      2.35314724948128      5.55688466563894
  H   -2.33570065620965      1.31450835424788      8.11885530995080
  H   -1.48564959381029      1.74952555196587      6.61963681261353
  H   -4.86148426481193     -2.86706817371518      5.91734379501057
  H   -0.24580148658180     -2.74732933162992      6.00432305475188
  H   -1.01582141809664     -3.21820360020005      4.47603646686501
  H   -3.04510460474760     -3.43228106070999      7.60004407986454
  H   -2.57723241972305     -5.08268655733408      7.99397097298762
  H   -0.99509643025531     -2.50562920700869      8.45307695000967
  H   -1.45339442618572     -3.75125498211737      9.61118980216101
  H   0.74430362719950     -4.48117821698715      9.33832302830734
  H   0.94398409483236     -3.59870418988098      7.82797099810375
  H   -0.53438077006833     -6.27176026751893      8.10135902093456
  H   1.09910423301053     -6.07302380337222      7.46417085284024
  H   -0.67870479619475     -6.23658079811841      5.67046831746117
  H   0.33715159668296     -4.81605048433170      5.54996778812431
  N   -4.58886176542278     -2.66565245118488      4.94942053725635
  H   -5.28655012473366     -2.00195248025696      4.60865280588563
  H   -3.09537137639500     -2.00091986718662      5.44398589964622
