110
Coordinates from ORCA-job /scratch/magstr/orcajob__5661760-JQQF/orca
  N   -2.96865233142770     -4.01487088469936      2.51312579642130
  C   -2.65578528401625     -5.03211030749735      1.50459984820822
  C   -2.60833023900037     -6.41157265275952      2.12851709854107
  N   -3.81334748997155     -6.62806146911941      2.95063050043595
  C   -5.02183872437926     -6.92583019049523      2.15384770877808
  C   -6.25112876057551     -6.49360662247858      2.93113571497625
  N   -6.10728857870862     -5.09446090742087      3.35561281834606
  Mo  -4.23768281196301     -4.63994879172579      3.96287750642399
  N   -3.51633452600801     -5.71071374308551      5.54179631091536
  C   -2.84157038591594     -6.95883996286980      5.16837232786347
  C   -3.58581328658023     -7.61537744687212      4.02280625721763
  H   -2.82956005943785     -7.68784081184392      5.99122052493154
  H   -1.77800326910973     -6.79524500459189      4.89280558650973
  H   -4.56919575470229     -7.94637292594139      4.38470993483762
  H   -3.04323597655593     -8.49717902850609      3.63345077078742
  H   -7.11972873159181     -6.63581582835099      2.27551690944305
  H   -6.42050929884795     -7.17240626617473      3.78972824022113
  H   -4.96414499730629     -6.34277608313943      1.22370131003285
  H   -5.06045105942485     -7.99943252096538      1.89024470948652
  H   -1.67406822794362     -4.86071672273090      1.04007011196045
  H   -3.39075362576991     -5.02667661675698      0.67368111294969
  H   -1.73914824340568     -6.47221478708683      2.79922024737814
  H   -2.50909860811787     -7.20043934029982      1.35864828290261
  C   0.80869432936163     -0.33002749585091      2.91978292645797
  N   -0.60595575613642      0.01165970542046      2.82614742490404
  C   -1.44222945194827     -0.70303539863088      3.79192053776745
  C   -1.67911516952261     -2.18898974113543      3.50270504810932
  C   -2.46508733867726     -2.61743412011609      2.23500948531882
  C   -1.49649766742290     -2.49470099499362      1.02707809399126
  C   -2.10718007690303     -2.60286536493870     -0.37675042886113
  C   -3.34012156627025     -1.70908689945205     -0.52923971132311
  C   -4.32263625343731     -1.94861624883318      0.61726796104711
  C   -3.65308141193734     -1.67110716001545      1.96139571519674
  C   -9.85336226719699     -6.46848861323242      6.00066874490896
  N   -8.49924862325309     -6.76410827550007      5.54345069756092
  C   -7.52124357788145     -5.73541699113995      5.91677660103939
  C   -7.66035712599704     -4.40257272976610      5.18280823998619
  C   -7.38721571147713     -4.37001312213709      3.65239157173717
  C   -8.61785149837182     -4.94358524153257      2.90397388953284
  C   -8.57075021838415     -4.84485498395152      1.36403122946601
  C   -7.67571047067651     -3.69383062100686      0.88776873034492
  C   -7.81899871928385     -2.52036063742585      1.85284031023660
  C   -7.26049548351398     -2.87345812386470      3.24202743177391
  C   -2.20648262527081     -0.79140251445389      8.35856235683372
  N   -2.30383237043542     -1.86001502969898      7.36803523324976
  C   -1.77103903806212     -3.13931952515196      7.85659749818512
  C   -1.95627104386178     -4.25401673237438      6.81741231417753
  C   -3.20098780419661     -5.19420847474727      6.92495148569191
  C   -2.85818182007727     -6.35867728452020      7.88940645905344
  C   -2.78645066702304     -5.95674821130928      9.36768871080400
  C   -4.07685761249865     -5.25047815380585      9.85195845787459
  C   -5.08941104304378     -5.12697350993361      8.71223956306967
  C   -4.45899524985233     -4.46341231249473      7.48766564981736
  H   1.21170613932236     -0.26454536155067      3.95385340775860
  H   1.39363488952818      0.34062522890245      2.27547962659722
  H   0.97370974947608     -1.35835709342289      2.56542182025650
  H   -0.71866827106028      1.01480160163150      2.97547437812246
  H   -0.99431063547540     -0.64506697516206      4.81385837386988
  H   -2.41151745934895     -0.18774742752525      3.85088930858756
  H   -0.72105089000409     -2.73711192035647      3.50281334300103
  H   -2.24443234914548     -2.57119266566571      4.35955157917458
  H   -0.65279207593896     -3.19432658688936      1.14774412527855
  H   -1.06538522566645     -1.48637369539492      1.13103786888055
  H   -1.34076045418734     -2.32467991908868     -1.11881873300406
  H   -2.39578172616559     -3.63886413640968     -0.60805768731355
  H   -3.82032200334086     -1.88705145635297     -1.50477079439199
  H   -3.03084130814293     -0.64869731374970     -0.51429038933787
  H   -5.20910430816572     -1.30603717642064      0.50130814417261
  H   -4.68525404080257     -2.99017775432013      0.59285318099058
  H   -4.36933933886069     -1.73616947723325      2.78952385305147
  H   -3.27659550065115     -0.63421092827213      1.94397772916553
  H   -9.90903191852322     -6.18799814769660      7.07493640279638
  H   -10.27483010104820     -5.63548328947664      5.41932441606119
  H   -10.49641205698708     -7.34449193148678      5.83696534881437
  H   -8.20134846799911     -7.64846665518223      5.95828014848709
  H   -7.57038428738085     -5.51401851719603      7.00636853163548
  H   -6.51359295680480     -6.13643808362304      5.72492068004473
  H   -6.94251154986621     -3.71010709282441      5.65092198390307
  H   -8.65778433441850     -3.96896756777142      5.36814559582819
  H   -8.82243441031832     -5.96855309061275      3.24007604499498
  H   -9.46589517976166     -4.34133382852957      3.26767163526142
  H   -9.59774245195553     -4.68320683224525      0.99676097782543
  H   -8.23655743008718     -5.79184757333409      0.91168677093174
  H   -7.93571395532144     -3.40197920072184     -0.14161696614434
  H   -6.62358192038370     -4.01881132562774      0.87659903009897
  H   -8.88822072303822     -2.25291456953253      1.92418388886978
  H   -7.30429279896959     -1.62603191729675      1.47089408597847
  H   -6.19932764795994     -2.60957103823528      3.29148708075781
  H   -7.75954735142867     -2.25486390586623      4.00392545847627
  H   -2.87775115725056     -1.01399191895950      9.20185908441481
  H   -2.52868969106749      0.15788048737042      7.90929564818536
  H   -1.18390289895330     -0.65873119639711      8.76738512394330
  H   -1.77509473552989     -1.58982576251471      6.53334734295503
  H   -2.29894430958796     -3.36819929543285      8.79398099697378
  H   -0.69760525430863     -3.04642410491343      8.12587089313902
  H   -2.00298439999014     -3.77686066289206      5.82971180568223
  H   -1.05615079793695     -4.88981055489782      6.79945775992823
  H   -1.89737484290730     -6.81178405076238      7.60391724112009
  H   -3.62557590236506     -7.14237614156231      7.77968024015347
  H   -2.60439699048888     -6.86771354667820      9.95817116958264
  H   -1.90705497715722     -5.31680315678314      9.53399761470759
  H   -4.51820882318241     -5.79097273973248     10.70308992455721
  H   -3.83971171366133     -4.23854086380750     10.22094359150569
  H   -5.95922813876044     -4.53420215044021      9.03628974461355
  H   -5.48240866020035     -6.12303876914042      8.44752617384594
  H   -4.21127675080912     -3.42451280971437      7.74590895867833
  H   -5.19519024447762     -4.40282512094134      6.68126841271638
  N   -4.48537819326900     -3.08170304451929      4.81629680592123
  N   -4.65811435496999     -1.99708140562371      5.39572862704759
  H   -3.98144920823037     -1.87768684511095      6.19133673332523
