104
Coordinates from ORCA-job /scratch/magstr/orcajob__5658522-awBA/orca
  N   -3.90844925324554     -3.53538215920520      3.09415564419723
  C   -3.68450655859885     -4.44356797875826      1.96744440351816
  C   -3.44056925195841     -5.85236479141770      2.48397345615364
  N   -4.43067052614605     -6.17869212407574      3.53674871356693
  C   -5.77765085861865     -6.45354883686557      2.98569897551979
  C   -6.84307785271555     -6.19538555859614      4.04296780191734
  N   -6.52412279422849     -4.98519782822533      4.80133694450845
  Mo  -4.66195599310491     -4.30329887502675      4.77195246092641
  N   -3.45092706299693     -5.33992643693375      5.96238164804782
  C   -2.93261940355181     -6.60948278762986      5.43610033891844
  C   -3.94446516898227     -7.22111807750698      4.47286580343085
  H   -2.74518665059039     -7.34066739147763      6.23936443104094
  H   -1.96324819681302     -6.46659710788738      4.92333445223685
  H   -4.81098792643279     -7.58570377782402      5.04222458825455
  H   -3.51446792467152     -8.07549818426651      3.91909296270859
  H   -7.81571303878866     -6.10031437796909      3.52680344139738
  H   -6.93793971355978     -7.07425539596916      4.71116833292883
  H   -5.92581918879388     -5.75714564954589      2.14918237737983
  H   -5.84140331872078     -7.48465704712594      2.59304309696742
  H   -2.80445747540581     -4.13879002382318      1.37480170776881
  H   -4.54207463767070     -4.43660866433593      1.26605045462944
  H   -2.44679199914376     -5.89659008824956      2.94982785527962
  H   -3.47467499154695     -6.59802024129176      1.66903486498770
  C   -1.97820445942054     -0.25616973884710      2.60420280150701
  C   -2.33289369711563     -1.72894896025831      2.39266801520469
  C   -3.78497570370444     -2.10987787090121      2.75789296783352
  C   -4.82725151917918     -1.75136606439694      1.68208202669849
  N   -4.94854528887225     -0.32048577566006      1.48556520532733
  C   -5.79317770605066      0.19749944785397      0.51463411425484
  C   -6.39080195390211     -0.59743481629400     -0.48251103706737
  C   -7.22092382674084     -0.00461063210033     -1.43519337691281
  C   -7.49010478244028      1.36265610590405     -1.42542555133526
  C   -6.89938484166861      2.15262253080949     -0.42641610779040
  S   -7.19540769797725      3.90043887700071     -0.29338964562481
  C   -6.05201275582032      1.58232948322254      0.51898021632719
  C   -9.44865645373273     -4.80274502069817      7.29844654689879
  C   -8.57852440690552     -5.41085719791728      6.19905385221379
  C   -7.65663704512432     -4.38202214123066      5.52187331551799
  C   -8.43397097760583     -3.42188385802535      4.60673083115760
  N   -7.68408594415061     -2.19258497087095      4.43420120957142
  C   -8.17127493700475     -1.11810908835502      3.72204139023505
  C   -9.18367486837569     -1.24983660362293      2.74891221550404
  C   -9.59938471481128     -0.13133661945595      2.02497911676380
  C   -9.05669328619258      1.13244135318908      2.24845466281964
  C   -8.05563509034463      1.26914685969321      3.22327804405015
  S   -7.33780329834029      2.84513070842299      3.62078569563220
  C   -7.61312084289214      0.16107480842229      3.94410471038805
  C   -0.47416800689986     -5.33829132036888      7.20229803153647
  C   -1.64743608850683     -4.40130411996768      7.49490539247995
  C   -3.07150424077187     -4.96543701740513      7.33348362831863
  C   -3.36200895318649     -6.09690630866611      8.33527412653415
  N   -4.70464929900786     -6.60409466689678      8.11434742508065
  C   -5.06923395519206     -7.88843017812016      8.45914149302561
  C   -6.17752032264248     -8.50083454224772      7.83036040843547
  C   -6.56658257694532     -9.78461129761915      8.19143992608519
  C   -5.87800596554107    -10.50632643690267      9.17169262278241
  C   -4.77564114329762     -9.90682021187968      9.79451268836049
  S   -3.82946762519402    -10.72905046632400     11.05009260954839
  C   -4.37174686428131     -8.61154791800077      9.44606447559221
  H   -0.90315521971316     -0.09063451644291      2.44448698877052
  H   -2.21159109511123      0.05933938670930      3.63363166875062
  H   -2.52957251559289      0.39702981178360      1.91729631652902
  H   -1.67851439386263     -2.34939936933562      3.02666452265298
  H   -2.12315436648865     -2.01042887019784      1.34718314462723
  H   -4.05087460266183     -1.55870624004694      3.67543025655427
  H   -4.52411226053361     -2.20336584640875      0.72414911656375
  H   -5.79260766808599     -2.21213196233102      1.97490129145911
  H   -4.95827114177849      0.21607056487378      2.35066406593105
  H   -6.23236689295671     -1.67486107386928     -0.50206271300906
  H   -7.68346877750286     -0.63230814903970     -2.20076019100793
  H   -8.14729290556885      1.80694846461372     -2.17343546840650
  H   -8.21623451256677      3.94983158582550     -1.17936513230693
  H   -5.61624497552203      2.19885734505789      1.30898043910133
  H   -10.07581769254819     -5.57119230297724      7.77188525065356
  H   -10.11862666284154     -4.02240988294925      6.90911373127463
  H   -8.82548095669226     -4.34698941080265      8.08256876117877
  H   -9.21457524909676     -5.91026745504459      5.44879963880680
  H   -7.94234250272410     -6.19312172463216      6.64355811820379
  H   -7.22193445675241     -3.77441507129385      6.33225146141469
  H   -9.43690948614695     -3.21840110830304      5.03087484296799
  H   -8.59425354330592     -3.91101823033272      3.62953606832689
  H   -7.08675244692719     -1.94795475443880      5.22638701300163
  H   -9.63731106543396     -2.22149687443259      2.55706673733465
  H   -10.37270856453762     -0.24912451906562      1.26325572665610
  H   -9.39485483444904      1.99622217825462      1.67618802173856
  H   -7.68765803652735      3.46458746235836      2.46493481389047
  H   -6.83108222780934      0.27112195293718      4.69918133923475
  H   -0.42573135124215     -5.61325154049268      6.14036922359176
  H   -0.52597464424966     -6.26756127063699      7.78879524652911
  H   0.47596951909701     -4.84713043377546      7.45541028549559
  H   -1.56502056388368     -4.03167545783224      8.53252960620093
  H   -1.57900747535652     -3.51418213087687      6.84558157501626
  H   -3.74737877196111     -4.13803314484962      7.59778825464876
  H   -2.62312051351120     -6.91453184639629      8.23975852527615
  H   -3.25009479791628     -5.69068817098528      9.35549284139075
  H   -5.10876954066419     -6.26324663718767      7.24047073651362
  H   -6.72304845867432     -7.95295169504866      7.05959110139428
  H   -7.42599181980194    -10.24250995181260      7.69687569075433
  H   -6.19438833254544    -11.51328127463992      9.44460912255237
  H   -4.55603120306533    -11.86948071427601     11.06400560007233
  H   -3.52472522123872     -8.15517138558484      9.95630126969465
  N   -4.88886054589900     -2.82315589982359      5.74680743417245
  N   -5.16734712700399     -1.85384285077265      6.49468570269546
  H   -4.75645917221715     -0.96867191295360      6.14848514986640
