111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661762-f1oJ/orca
  N   -3.29781786045014     -3.87723726189323      2.31391030387029
  C   -3.28580165978335     -4.90977268396503      1.27756909594802
  C   -2.86428767670591     -6.23404940190738      1.89219178654982
  N   -3.73000338368527     -6.48985807302153      3.06087257897973
  C   -5.01340122343474     -7.11181416435980      2.66386964549654
  C   -6.12044005063887     -6.56804439237837      3.54845307907195
  N   -6.10807711834039     -5.10597020236602      3.47785806904005
  Mo  -4.25980621989777     -4.37039013997161      4.01571364060278
  N   -3.02941567411150     -5.18527357502505      5.42428612491601
  C   -2.17838981030068     -6.25959839832834      4.91630067486430
  C   -3.02612142520335     -7.23820756442339      4.11824922106774
  H   -1.66139980503959     -6.81853998785247      5.70515295568285
  H   -1.37583288260146     -5.85824164978307      4.26357227849945
  H   -3.78292678622921     -7.67860069984586      4.78375847119792
  H   -2.42234960625634     -8.05785200897456      3.68216457948821
  H   -7.08199627358499     -6.99162227371957      3.22579235758952
  H   -5.96176303207887     -6.95156452178681      4.57800495913216
  H   -5.22064461258867     -6.83144604518103      1.62188382931041
  H   -4.93861407913061     -8.21391232996596      2.71483134494304
  H   -2.61164047728887     -4.68600172809826      0.44063004381929
  H   -4.29650941928382     -5.02238431436933      0.84054050427604
  H   -1.82467179724930     -6.15107460711386      2.23966323296783
  H   -2.92204623660259     -7.07274994454729      1.17217664594230
  C   1.54912123633570     -2.00306561753187      1.88548734074449
  N   0.49363348335604     -1.16190843777183      2.43957605623088
  C   -0.25100951000201     -1.80676819974665      3.52475501317547
  C   -1.16949125001682     -2.95866083880570      3.10402696634201
  C   -2.38301618018671     -2.69598797701403      2.16807610747597
  C   -1.90054484226667     -2.45165708902489      0.72045302075121
  C   -3.02098428288316     -2.07326654226294     -0.25297355372757
  C   -3.79454559935165     -0.84857943366627      0.24276812221151
  C   -4.28775421540677     -1.07419304242571      1.67189586668896
  C   -3.12498891654036     -1.41666630169302      2.60118159383111
  C   -10.25610736653237     -6.19400099817470      5.74073896019604
  N   -8.85192801193775     -6.54980719630442      5.57095405049513
  C   -7.92948564545946     -5.47742717254987      5.96011826685986
  C   -7.91533463431972     -4.26115348352194      5.03684600064526
  C   -7.42763555476500     -4.42276464307308      3.56649318682646
  C   -8.49530037855420     -5.14472030380771      2.70988818927500
  C   -8.08143231949341     -5.29985701626141      1.23755998717023
  C   -7.34005885782584     -4.05651197508246      0.70696166299810
  C   -7.74185469736603     -2.82863897151520      1.51858098967485
  C   -7.30603984970427     -2.97900416248923      2.98249981915381
  C   -3.72909636184067     -0.71624204984620      9.27752888200853
  N   -3.45957706919190     -1.47282349962251      8.05709071047093
  C   -2.55289553333134     -2.60659105027618      8.28951743764954
  C   -2.32612563272636     -3.41929192415248      7.00275073652383
  C   -2.99726185645193     -4.82174571765697      6.88120952025168
  C   -2.18631967221344     -5.85163000198176      7.70261856686433
  C   -2.32032774022642     -5.72902477280726      9.22483498556772
  C   -3.79813571946047     -5.75265736923463      9.68974755675294
  C   -4.75091440478788     -5.87237644791935      8.49833813254473
  C   -4.46007349477503     -4.80159449804567      7.44725383528970
  H   2.21750760713434     -2.44242973261748      2.65746094073602
  H   2.16183554955993     -1.41383946297841      1.18952125469129
  H   1.10806987640511     -2.83527524075083      1.31782977128421
  H   0.91114307741002     -0.30290629542676      2.80025876191225
  H   0.43890717105510     -2.21716488339652      4.29845243519589
  H   -0.84870777806278     -1.02870634149846      4.02302560680655
  H   -0.57153194725228     -3.77478511159119      2.66124834222802
  H   -1.58517137043343     -3.36976436680733      4.03994479850833
  H   -1.32593095944573     -3.31479002955581      0.34858190419242
  H   -1.17828444162628     -1.62249082257633      0.78526899763220
  H   -2.59162048930218     -1.87767934653546     -1.24916693630053
  H   -3.72455823912116     -2.91310721856387     -0.37491350074052
  H   -4.64075691365775     -0.63306811059207     -0.42898016052244
  H   -3.13246188333350      0.03566720378798      0.21754837748873
  H   -4.82230448255861     -0.18605469870704      2.04582149484816
  H   -5.00639665007928     -1.90786189088054      1.67585138660530
  H   -3.47062817473879     -1.55292322996477      3.63526604770336
  H   -2.40729657236873     -0.58081367390723      2.59579418787340
  H   -10.49030509931491     -5.76571968479863      6.73988963738445
  H   -10.55097746168741     -5.45094040720124      4.98558469305327
  H   -10.88229311374491     -7.08461399315779      5.59087543643390
  H   -8.64833183014966     -7.36914832860706      6.14511285340421
  H   -8.15676487849789     -5.10638632111838      6.98667833366725
  H   -6.91811394727277     -5.90475665231982      6.00234270851647
  H   -7.24828246505433     -3.52262810269853      5.51138912348197
  H   -8.91704226244704     -3.79749196459804      5.01548623171192
  H   -8.77039502998376     -6.11114510605180      3.15220465742450
  H   -9.40547503719704     -4.52459782165320      2.77096410516501
  H   -8.98756710641356     -5.48204822187180      0.63657961054950
  H   -7.44779174779371     -6.19138949303836      1.11315756616103
  H   -7.54555258190064     -3.91002067317795     -0.36497938512571
  H   -6.25286802937458     -4.19693155230790      0.81152410798402
  H   -8.83585621051270     -2.69559496267138      1.45438548270295
  H   -7.29940065538179     -1.91307606918904      1.09499091095836
  H   -6.25935026609720     -2.67076143601512      3.09442228143711
  H   -7.88907518309470     -2.28681268644507      3.60959188573477
  H   -4.32226389359247     -1.33912282332495      9.96419718396276
  H   -4.31777407931393      0.17991561615773      9.03745987763145
  H   -2.81249625831975     -0.39952114535143      9.81692102695973
  H   -3.02380689773321     -0.85188459963693      7.36913414829426
  H   -3.02372110292291     -3.21654822209973      9.07320686014164
  H   -1.58338615434514     -2.26579131902937      8.71107050390091
  H   -2.70898022601334     -2.82979003306305      6.15798704620747
  H   -1.24702614918329     -3.55258958688485      6.82155555066449
  H   -1.12109056134733     -5.78744267659339      7.43001953376403
  H   -2.52475262615726     -6.86157143491131      7.42289015188409
  H   -1.76706935048770     -6.56648645118351      9.67684312573675
  H   -1.81450617324967     -4.81804496857488      9.57763429659845
  H   -3.96741971348359     -6.57604897604297     10.40018986179812
  H   -4.03582805805446     -4.82440347705824     10.23601331712960
  H   -5.79493847124795     -5.77450646266223      8.83667673438520
  H   -4.67183906872207     -6.87664821342826      8.04723689516237
  H   -4.68609269484962     -3.81521838255075      7.88038289664182
  H   -5.14836923908483     -4.91223050662610      6.60383094607040
  N   -4.80985796492709     -2.95912951424799      4.97950080868396
  N   -5.18579407221481     -1.78789960968537      5.50110477858190
  H   -5.03508036192982     -1.75697861513905      6.52411656002809
  H   -4.72577136807171     -0.97359016543518      5.06267451078480
