68
Coordinates from ORCA-job /scratch/magstr/orcajob__5670639-rXj8/orca
  N   -3.75699735037660     -4.79659566583132      1.67568379165605
  C   -3.87614628208172     -6.00578088514950      0.90522947973677
  C   -2.60684380441044     -6.89066772878620      1.03147326045690
  N   -2.30797629163552     -7.30546761830923      2.37297764286935
  C   -3.21006822768709     -8.21236064747098      3.04482211779351
  C   -4.00316858697246     -7.59658926696530      4.20349535768952
  N   -4.74226308720666     -6.41197774695819      3.82237381990421
  Mo  -4.23676429720283     -4.29053200478114      3.60641201377822
  N   -2.36761476035859     -4.88939271443970      4.21126811852218
  C   -1.19632201705007     -5.29416492507563      3.47401608840143
  C   -1.16199246396890     -6.79640445525165      3.07326788369258
  H   -0.29195748072102     -5.08066043837098      4.06940011165341
  H   -1.12708096894290     -4.67329087174737      2.57245422376956
  H   -1.02687802478494     -7.40415832507052      3.98053059443550
  H   -0.24432167011887     -6.92138955420869      2.46709459824533
  H   -4.69259639482803     -8.36029854811251      4.59953762257103
  H   -3.31121767172950     -7.35888208647632      5.03164115920120
  H   -3.91137680927708     -8.60905329848254      2.29577243057224
  H   -2.65433470276229     -9.07926706703266      3.45140247164582
  H   -4.04783954823881     -5.77150173426866     -0.15863026307763
  H   -4.74799018339431     -6.56494948230279      1.26677458093614
  H   -1.74087549773482     -6.33942298776643      0.63457460628315
  H   -2.76410170082291     -7.76616843105743      0.37303901545609
  C   -3.11728241087341     -3.69039068920608      1.22101083902534
  C   -2.73905594217639     -3.31440700291094     -0.08680276871788
  C   -2.17021710016711     -2.06094771146173     -0.25460304555291
  C   -1.96689779424344     -1.21814853126056      0.84887277391589
  C   -2.32560077534545     -1.67682065014127      2.11908165912150
  C   -1.95567692609997     -0.90803034510089      3.33908377696680
  O   -1.86879237881664     -1.37807517131487      4.45605051099058
  C   -1.73696613145139      0.60338563889312      3.14879941804041
  O   -2.61512281749081      1.37568459727790      2.91778002377718
  Br  0.12624210414976      1.12457540747064      3.45754289327249
  N   -2.88447877175546     -2.88585080032484      2.28466073893209
  C   -6.00532487448284     -6.19398623364946      4.24901302286015
  C   -7.03156957786503     -6.98898888229494      4.78922073918469
  C   -8.25282004071446     -6.36719854287294      5.04615388910968
  C   -8.45839302511307     -5.00434949642913      4.78129588004673
  C   -7.39466605745924     -4.25126289571964      4.28447647724524
  C   -7.55288054365607     -2.84163786848214      3.85888977608186
  O   -8.44976419167622     -2.11003821765040      4.27243786510487
  C   -6.64028400829265     -2.43914756082298      2.72988701300838
  O   -5.66120237959044     -3.06375993300363      2.29181251025750
  Br  -7.17252326325986     -0.83826321827153      1.82406856043914
  N   -6.21191923045429     -4.85996257264301      4.08411528745299
  C   -2.54019107888255     -5.12564312075995      5.52967716892684
  C   -1.66432583596225     -5.67073054525529      6.48979894764074
  C   -2.17684819187661     -5.93353754306102      7.75065316438435
  C   -3.52543460000517     -5.67335232499685      8.03792654545169
  C   -4.31475511241377     -5.07054603450364      7.05871179076476
  C   -5.73038847637075     -4.72673572770433      7.43065438470457
  O   -6.51640782247875     -5.56029086877661      7.82106897322828
  C   -6.06496228440046     -3.20937822281306      7.48271783861506
  O   -5.23183605593613     -2.35180941416193      7.40765758178182
  Br  -7.93549355651428     -2.84779700666918      7.81447704480394
  N   -3.82226797516211     -4.78115278176750      5.84225173044493
  H   -2.91493254041889     -3.97675692580833     -0.93296302313636
  H   -1.87824594697907     -1.72622763433661     -1.25070864804179
  H   -1.49465944615904     -0.24416698708163      0.72537843318725
  H   -6.88377103899887     -8.04812129488218      4.99223037351517
  H   -9.07517504238525     -6.95904099944333      5.45014229167314
  H   -9.42472157325807     -4.52536207804421      4.92694663398609
  H   -0.62886359386343     -5.89297817472505      6.23704877472921
  H   -1.53432998257718     -6.36224981489688      8.52076203840539
  H   -3.95442252021737     -5.89445211170651      9.01375849696706
  N   -4.53699323370354     -2.59117606088256      4.54485862290901
  H   -4.65775858917113     -1.70265372271807      4.05995268014059
  H   -4.30527154312364     -2.45165544116925      5.52755858816212
