96
Coordinates from ORCA-job /scratch/magstr/orcajob__5677968-bBf4/orca
  N   -3.55109025135967     -3.49416573255996      2.16909520930078
  C   -3.12809045311351     -4.40678349335965      1.08959984572935
  C   -2.65482455246120     -5.72512732539234      1.68972783195507
  N   -3.54289606669407     -6.13685163234093      2.81275220765951
  C   -4.81297014160272     -6.74046689921811      2.32674359409930
  C   -5.91069646120107     -6.58654230206020      3.37629734991124
  N   -5.87350697491747     -5.22811601424803      3.92146953776349
  Mo  -4.08480621301176     -4.33920497695678      3.88602757214930
  N   -2.59886601538643     -4.94814907985844      5.07813255223539
  C   -1.92973099508400     -6.19336237194602      4.69035984483556
  C   -2.84775812572640     -7.01239635705307      3.79082208927615
  H   -1.68165305050386     -6.82612146169964      5.56035818421036
  H   -0.96752510637609     -5.99449522242608      4.17217921964835
  H   -3.62552881552716     -7.47666737619277      4.41053701072314
  H   -2.28676861790906     -7.81518383475331      3.27487022209936
  H   -6.87388008768767     -6.81809457356813      2.88462182095448
  H   -5.78914803032443     -7.35034554942699      4.17191510302623
  H   -5.10236011400319     -6.18281372464883      1.42495428161330
  H   -4.65418046981872     -7.79900307563095      2.04743897308604
  H   -2.28695915422224     -3.99931332586172      0.50201601757369
  H   -3.94881491966438     -4.58861105406809      0.36466675897005
  H   -1.65446430141443     -5.57884267534826      2.11839657283922
  H   -2.59230276344337     -6.52043859496503      0.92292397988246
  C   -3.80658696209013     -1.71573743519777      0.39455355760734
  C   -3.47291331730347     -2.06812573584217      1.84935190040638
  C   -2.11994192644786     -1.43891908868261      2.31554800761542
  C   -0.89198619132775     -2.07490405273994      1.73632546690975
  C   -0.28292582691138     -3.16098171059785      2.38780311666624
  C   0.81943270034614     -3.80469095530002      1.83097129330255
  C   1.35359000050717     -3.37865234775580      0.60641223959895
  C   2.53766379570598     -4.06126313059706      0.01366650735750
  Cl  4.11556252667660     -3.30594734181107      0.58002880134531
  C   0.76135640527675     -2.28301506795643     -0.03915638833185
  C   -0.34228092577797     -1.64186614229473      0.51889752900281
  C   -7.96377468281781     -5.47512406387462      5.27118462228654
  C   -7.16567830911781     -4.64181769448609      4.26167032480058
  C   -8.01624081151305     -4.30754263593910      2.99380488991384
  C   -9.10854434223038     -3.32161661941289      3.28028850495331
  C   -10.43360365900775     -3.71934278267004      3.52026544235910
  C   -11.41617844017171     -2.78902486353537      3.85210533436160
  C   -11.10728188895998     -1.42382418110136      3.95306599480101
  C   -12.15166117963025     -0.43074972177015      4.31925534847114
  Cl  -12.23389188850301     -0.16551123333534      6.14544834399628
  C   -9.78590694253405     -1.01790766448906      3.70812844256062
  C   -8.80792951757124     -1.95060699477060      3.37769378849040
  C   -0.61863986871345     -4.46413608911460      6.55251193681633
  C   -2.12106111387393     -4.29788374342081      6.29585287231264
  C   -2.97477790890286     -4.69886287829881      7.54708141239640
  C   -3.14076706175636     -6.17856010330835      7.72421782560445
  C   -2.23269678845882     -6.94403942504617      8.47156076939622
  C   -2.35142350738202     -8.33145749672989      8.54178586864591
  C   -3.39048105953744     -8.99285282454113      7.87241809183820
  C   -3.50003488818659    -10.47865517481483      7.91428378166195
  Cl  -2.65193549158192    -11.25155191713113      6.47949970720088
  C   -4.32003663344934     -8.22949437845594      7.15257098867322
  C   -4.19795836793714     -6.84434279037211      7.08084053820241
  H   -4.77635105501787     -2.14976871004581      0.11081542365361
  H   -3.87101250974958     -0.62422263462030      0.27311694834471
  H   -3.04937975984387     -2.08520649371512     -0.31082897368439
  H   -4.23460153732424     -1.56527860833586      2.47205945247851
  H   -2.13717449251159     -0.36123514072844      2.08224373294313
  H   -2.09013608236264     -1.54661735021552      3.41199061611449
  H   -0.70032739852557     -3.50894819289532      3.33543549441445
  H   1.27879647003103     -4.64801577413547      2.35315701095173
  H   2.56279136112785     -3.97979483383353     -1.07829502204191
  H   2.60615562306268     -5.11266244994246      0.31300488221652
  H   1.17630502525867     -1.93042868909117     -0.98648776255384
  H   -0.78961083789220     -0.78988008197216      0.00180391644421
  H   -8.89602518606689     -4.96582358898083      5.55489119445615
  H   -8.23134488688551     -6.45659377317248      4.85116252288869
  H   -7.36895092434867     -5.64298351682125      6.18069217656695
  H   -6.94542257562885     -3.67124947564607      4.73673043670544
  H   -7.31926474199289     -3.89070717784367      2.24957187461616
  H   -8.43760608520511     -5.23513190936612      2.57575537533086
  H   -10.69656346968998     -4.77688307391369      3.44008693174670
  H   -12.44124703516444     -3.12136979947449      4.03336790974456
  H   -11.95044786361106      0.56301710354558      3.90536581481449
  H   -13.15899211004748     -0.75803094607977      4.04116874091651
  H   -9.52999277646223      0.04253391403848      3.77396880500373
  H   -7.78748084178412     -1.61479965309199      3.17190793341620
  H   -0.30991976906385     -3.84669507360300      7.40856170097720
  H   -0.03953236227193     -4.14350602371035      5.67447379677440
  H   -0.34887494768505     -5.50577630326528      6.77561830449526
  H   -2.29801800706924     -3.21401888383846      6.17317226636425
  H   -3.97008334365157     -4.24844516286810      7.40851251032230
  H   -2.52247751323306     -4.24672966311370      8.44500101954190
  H   -1.41850435401407     -6.44468713775561      9.00191225562854
  H   -1.62799231717457     -8.91290109885907      9.11823341648812
  H   -4.53728740786419    -10.82403875445835      7.84709455372987
  H   -3.01650100625250    -10.90998653348743      8.79720058083321
  H   -5.14270388334412     -8.73156294466183      6.63687920810041
  H   -4.91456724393372     -6.26154122700502      6.49750423077459
  N   -4.69510919459811     -2.38980721849484      4.99860498040267
  H   -5.15644255426531     -2.51574858687810      5.90539797928536
  H   -5.33857976935331     -1.82707204262611      4.43289241436540
  H   -3.88613088095424     -1.78609355005930      5.17391870566274
