113
Coordinates from ORCA-job /scratch/magstr/orcajob__5661753-evCT/orca
  N   -2.59509290245018     -3.70634344337756      2.38817735123393
  C   -2.68561794226997     -4.64728548790083      1.28693058534766
  C   -2.75722418784449     -6.08523985951824      1.80763866565574
  N   -3.60160912834388     -6.17594902570004      3.03876529364948
  C   -4.83476511823031     -6.99160033928653      2.87424188706720
  C   -5.77903602429036     -6.71442222481864      4.04299286235992
  N   -6.07732708831307     -5.29449667215207      4.20158759195412
  Mo  -4.35134656719514     -4.09130492303377      3.49139488859220
  N   -3.34118108350821     -4.57055766110367      5.32423175910672
  C   -2.24667154899948     -5.47850472806595      4.96934495547986
  C   -2.80212501212885     -6.67002561368738      4.20305618833327
  H   -1.68270529258586     -5.85232994209958      5.84177103999062
  H   -1.51883835149686     -4.97741982924252      4.31353203811455
  H   -3.46479636811583     -7.24310132998786      4.85962508496839
  H   -2.01062143809201     -7.34831684001445      3.83927227376655
  H   -6.67960951404526     -7.32679274516641      3.88496159297750
  H   -5.30961098087556     -7.12977803269521      4.96031587376394
  H   -5.30383617391819     -6.68707384132294      1.92886594888323
  H   -4.57246486610258     -8.06667368057643      2.81492032016883
  H   -1.83110509398011     -4.60897326033900      0.59361383476688
  H   -3.60195992457635     -4.44915153583812      0.68180848422986
  H   -1.74485036969411     -6.42832048410344      2.06235822577074
  H   -3.16085756088171     -6.76535589756475      1.04040411263486
  C   2.38080426784015     -2.12145969573702      2.21258145762766
  N   1.35214342086210     -1.20217518918850      2.68646688206623
  C   0.50404934190426     -1.77057833811176      3.73682368112549
  C   -0.46216697008885     -2.87844839764167      3.29221430977033
  C   -1.61019364766271     -2.58660207327679      2.28278184541388
  C   -1.01307924474985     -2.39068523904857      0.86849128090197
  C   -2.02261266861574     -1.92338588304595     -0.18610255671931
  C   -2.74563261200756     -0.64769173114236      0.25525133965251
  C   -3.35509681290119     -0.83143739857390      1.64645757267858
  C   -2.27037426932916     -1.23962856636237      2.64328092341545
  C   -10.12252567965186     -7.96906334450993      4.95246093186515
  N   -8.66759893584419     -7.97598729629548      5.06318052225798
  C   -8.14157173394089     -6.91783492398834      5.93262109725009
  C   -8.28559975897638     -5.49682535746739      5.38411478862633
  C   -7.52461391316032     -5.01136047458719      4.09288342632669
  C   -8.16833688746385     -5.61168904015761      2.80029153732129
  C   -9.47667911173382     -4.97189847869496      2.25680470281191
  C   -10.15528555475776     -3.93976419173134      3.16479457031101
  C   -9.14929495388664     -2.99310317442151      3.77218155090988
  C   -7.80698537571667     -3.51059714496867      4.15526172067860
  C   -2.13951260321907     -0.22103815399905      6.40768044250704
  N   -2.48244685705080     -1.63670065313712      6.31091944927315
  C   -2.42682594755544     -2.31279540905341      7.60960841281102
  C   -2.45177185816591     -3.83598398246029      7.52487432277957
  C   -3.63823470234804     -4.52857412924222      6.77629662472293
  C   -3.82166339279273     -5.95358548840520      7.37316373837580
  C   -4.10746830631012     -5.97988914756703      8.88891516043230
  C   -4.94671600264048     -4.77536967911482      9.35421038214932
  C   -5.81960239750881     -4.28721885064551      8.20199026117227
  C   -4.99119685999245     -3.79929830197638      6.99813527652953
  H   2.97224617776092     -2.58599693529503      3.03124237655267
  H   3.07110315078265     -1.58785029612793      1.54487761350832
  H   1.92103324951798     -2.93492307941040      1.63273176225880
  H   1.80170004728332     -0.36233630772649      3.05332143785958
  H   1.11940031809128     -2.20156083825826      4.56099555725473
  H   -0.06932395617790     -0.94141037193401      4.17850000410753
  H   0.10706031631960     -3.74792485039093      2.92071647620122
  H   -0.95159942666039     -3.22470062043132      4.21542752547671
  H   -0.49032626175263     -3.30115484933900      0.53555077900037
  H   -0.22964316364662     -1.62380126338231      0.98116386247657
  H   -1.49821626621058     -1.75002292351260     -1.14033527801682
  H   -2.77301278248542     -2.70626508865448     -0.37940410490881
  H   -3.52224785877238     -0.37628504666472     -0.47745206898444
  H   -2.02459762320820      0.18935704180234      0.28407155601984
  H   -3.84113881554692      0.10415289070381      1.97448981595368
  H   -4.12618900715877     -1.62007239854904      1.60798875214909
  H   -2.65440154159140     -1.29008442570692      3.66947828251778
  H   -1.48861484687789     -0.46116077709004      2.64395100881081
  H   -10.64331660386747     -7.92118852785221      5.93345882060603
  H   -10.45386524699154     -7.10345608733285      4.36032272917330
  H   -10.45459562850654     -8.87516985545454      4.42719945587958
  H   -8.36878130814710     -8.87753128895904      5.43793246357123
  H   -8.66025949456756     -6.92284759656654      6.91898726295774
  H   -7.08492225751484     -7.13636303157279      6.13621484161263
  H   -7.95899298189511     -4.83513666755209      6.20316083386837
  H   -9.35846401435306     -5.28727181608184      5.24848835103641
  H   -7.40147558315667     -5.54195186664042      2.01688558720863
  H   -8.33667475833863     -6.67972145663204      2.98388270555769
  H   -10.20614568716678     -5.75992753728063      2.01358444572198
  H   -9.24472029971947     -4.46718106209573      1.30864599275470
  H   -10.71537385376804     -4.42787586380932      3.98058202429276
  H   -10.89998400573399     -3.37197760116230      2.58197475188568
  H   -9.55783489824191     -2.17242845423811      4.37022658905837
  H   -7.63299689607177     -1.74207761604607      3.10424102648759
  H   -6.40454196204452     -3.55055418087827      1.84435158002015
  H   -7.35110666866555     -3.02385715792208      5.02417317904095
  H   -2.89924809838685      0.29705894309337      7.01297081084995
  H   -2.13593055738890      0.23326233863988      5.40695802895789
  H   -1.15305256591204     -0.03865881971027      6.88042295552998
  H   -1.84338927285618     -2.11304850576785      5.66918020812379
  H   -3.27361969018761     -1.94701349133027      8.21615466836771
  H   -1.50896601495168     -2.01926547932376      8.16452829839001
  H   -1.51673938428586     -4.17568309009011      7.04922660814657
  H   -2.39588978089929     -4.19460810304546      8.56408978680822
  H   -2.94005223355214     -6.57793493399149      7.17067780754814
  H   -4.66076269294675     -6.41267064622084      6.82684460661327
  H   -4.64520769922775     -6.91355900235920      9.12109124382524
  H   -3.16547885263995     -6.02654939730364      9.45753334477498
  H   -5.56184422694864     -5.05066909956841     10.22483414755229
  H   -4.29261343210932     -3.95273827004822      9.68770905354219
  H   -6.49453309955072     -3.48254588371365      8.53425522507617
  H   -6.47405645834547     -5.11836045384084      7.88744423706215
  H   -4.82494208354546     -2.71596829185258      7.08517657611293
  H   -5.57113241683949     -3.98740201740790      6.08295464145614
  N   -4.75328045361723     -2.10850210102482      4.44138696820145
  H   -5.66108858996587     -2.08748131995258      4.90957908816852
  H   -4.75325003113051     -1.36823691587525      3.73689687672028
  H   -4.01956950526666     -1.90622397407570      5.16084880662634
  N   -5.42298717181758     -3.66234965944869      2.12450003227427
  N   -7.96820968313782     -2.69413288558676      2.93401446643635
