111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661758-n9SN/orca
  N   -3.22014061802486     -3.60704516197782      2.45744805269276
  C   -2.94124879424469     -4.69883319151949      1.51191748173779
  C   -2.49082492533406     -5.94733168247258      2.24759259831772
  N   -3.46898266346633     -6.26612844577650      3.31168826636971
  C   -4.63808262149435     -7.01024623672564      2.77365863632899
  C   -5.84882971281827     -6.67983244526971      3.62307463365422
  N   -5.97042208805618     -5.21448491871004      3.73667238215808
  Mo  -4.20882977007515     -4.32526860032771      4.11806231081178
  N   -3.29142899523164     -5.03168580605764      5.78740291150346
  C   -2.21709525507448     -5.94348995403598      5.36601069949474
  C   -2.80722429558860     -6.98692297558867      4.42921192013327
  H   -1.72338983734778     -6.46292681052083      6.20562910435916
  H   -1.40761325628236     -5.39765883780348      4.84460965370455
  H   -3.57062234294584     -7.56093479483694      4.97279367621856
  H   -2.05157068587201     -7.69309888612986      4.03444269168214
  H   -6.73241162949167     -7.15863840047954      3.17665801319177
  H   -5.73293804322433     -7.16118899561151      4.61568469961781
  H   -4.81253558094124     -6.65651269784833      1.74761247151601
  H   -4.42989379255733     -8.09664276899654      2.73870710636041
  H   -2.14746578630908     -4.44417964143409      0.79354505665239
  H   -3.83316022542286     -4.93021070732363      0.89559839519305
  H   -1.52671101533926     -5.74131956062167      2.73354844927529
  H   -2.36197551703295     -6.81327912341666      1.56786862734101
  C   1.32198911553045     -1.58182064150305      0.95764779230462
  N   0.47988414911910     -0.83641620625562      1.88686992031063
  C   0.06895320963203     -1.61722797492786      3.05626369319687
  C   -0.94533973420280     -2.73547627774436      2.78321722656593
  C   -2.36605374180711     -2.40449043072822      2.23689068867399
  C   -2.28987577954413     -1.97830068435441      0.74632959794460
  C   -3.64916837379590     -1.58300983682990      0.17106793290790
  C   -4.25005588997436     -0.41830628986216      0.96158071458178
  C   -4.31695011131534     -0.76884825742393      2.44881636224882
  C   -2.94844194602402     -1.19445788705684      2.98559328177918
  C   -10.08963671888637     -6.99838004367484      5.53886965387009
  N   -8.63906334757151     -7.10590784584972      5.43395902734714
  C   -7.92843222272047     -5.93758677383455      5.95992995631429
  C   -8.02540791813208     -4.68095110946335      5.09506327294173
  C   -7.37906172195832     -4.68972215721157      3.68404116029718
  C   -8.28135385635404     -5.45224795806026      2.68435726670445
  C   -7.71963601517652     -5.47729634123221      1.25189655604180
  C   -6.97194810941116     -4.17787886410457      0.89958902799691
  C   -7.56119672500296     -3.01291855493765      1.69116905117856
  C   -7.33754145305723     -3.21578173478066      3.19741222124539
  C   -1.74765543526854     -0.82033053155164      6.76599127764217
  N   -2.32367108898035     -2.15967285361264      6.75327727573085
  C   -2.17944693721754     -2.84572470485618      8.03934903737418
  C   -2.28036500908564     -4.36797665791928      7.96220583570544
  C   -3.51839310909791     -5.00727624859797      7.26465032104887
  C   -3.72096274162759     -6.44611144632738      7.81686150843332
  C   -3.93176938691664     -6.51149749239816      9.34321948028226
  C   -4.71474832945534     -5.29987378758135      9.88325865405690
  C   -5.63083516128032     -4.75977598534959      8.79017529402999
  C   -4.83990791028618     -4.25553397127460      7.56702225770600
  H   2.17464614139139     -2.09968068506241      1.44834052832315
  H   1.72254234890756     -0.89846169170662      0.19632465969780
  H   0.72603012169897     -2.34516376706704      0.43661630731769
  H   0.99324778278734     -0.01642647145015      2.21286184946364
  H   0.94584930528142     -2.09661790633114      3.55054435149991
  H   -0.35171473462623     -0.91192213098464      3.78920315395632
  H   -0.48932476706814     -3.49079958865314      2.12013628482521
  H   -1.10617290962633     -3.24975995805985      3.74667822200426
  H   -1.82763181199618     -2.76406630149753      0.13111403867234
  H   -1.60161836260555     -1.11909782176165      0.70162698526566
  H   -3.54216492381044     -1.30988599676436     -0.89119440520124
  H   -4.33529531960038     -2.44507305122822      0.21534539087394
  H   -5.25407497782247     -0.16750461655145      0.58321999676412
  H   -3.61968722587600      0.47834762761352      0.82322485286760
  H   -4.70527974462774      0.08558459229316      3.02927287698069
  H   -5.02218891905949     -1.60646282722757      2.56609311061457
  H   -2.98650120500013     -1.42102400207560      4.06003598064183
  H   -2.24788897698565     -0.35203453181154      2.86498373892712
  H   -10.44466224366900     -6.71448428477545      6.55390628923207
  H   -10.46398525377079     -6.24109266729283      4.83440002594132
  H   -10.55034524411647     -7.95834551514065      5.26710217397270
  H   -8.32930366092492     -7.93006346557552      5.95064467258505
  H   -8.29647769456659     -5.66865678331462      6.97679570266799
  H   -6.86721838253238     -6.20568274087388      6.06919746205261
  H   -7.53603843215101     -3.87724415139900      5.67269242558219
  H   -9.08175784695193     -4.37228071179407      4.99995318307533
  H   -8.50547606059971     -6.46416013354520      3.04666705313246
  H   -9.24816657645284     -4.92007575109970      2.68339395788372
  H   -8.55748935109276     -5.62779717571051      0.55120206165638
  H   -7.05024001017976     -6.34096438773811      1.11664247266597
  H   -7.01725527037819     -3.98533002892118     -0.18373575332492
  H   -5.90924863304396     -4.27240301745160      1.17222419904744
  H   -8.63924069799474     -2.92863298207792      1.46696713808308
  H   -7.10720155292627     -2.05914554405064      1.37848219674950
  H   -6.33196007529986     -2.86057504247861      3.46592315309667
  H   -8.06815409032715     -2.61589636091893      3.76369820202861
  H   -2.31222565119166     -0.18549951780431      7.46685797992651
  H   -1.82388912328197     -0.36942052494244      5.76683596321684
  H   -0.68381790252714     -0.80106238544365      7.08098667895333
  H   -1.90701741905887     -2.73403611977362      6.01591101460789
  H   -2.94414817406671     -2.44395231236541      8.72852981238310
  H   -1.19840534477974     -2.60398695539641      8.50316756493887
  H   -1.38249360809073     -4.75071702206397      7.44896299919277
  H   -2.19622422459891     -4.72797156551123      8.99914718067849
  H   -2.87732919357331     -7.09800257257675      7.55209542284110
  H   -4.60114680356379     -6.85731773090140      7.29524687266875
  H   -4.48033912409075     -7.43847853357304      9.57591768589195
  H   -2.96302703157781     -6.59642746655582      9.85972324742201
  H   -5.29202316842164     -5.58303085974112     10.77669952509325
  H   -4.02314169339858     -4.50286110482570     10.20280007470541
  H   -6.26582604995587     -3.94673597567552      9.17497442829122
  H   -6.32026133455793     -5.56326867076681      8.48279740486799
  H   -4.64114092397998     -3.18229585680555      7.68283425994541
  H   -5.46862811184580     -4.37370748922134      6.67177132698671
  N   -4.87351195906106     -2.39934664732634      5.19431490255689
  H   -5.74627392372494     -2.49351469468834      5.72098523660434
  H   -5.00301829716236     -1.58939724593649      4.58356025995754
  H   -4.11711992982798     -2.17044968282897      5.87257643386849
