69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670641-EwJX/orca
  N   -4.07860917303476     -4.44475879545563      1.48177711722261
  C   -4.10383217316909     -5.56812360952135      0.55955212323761
  C   -3.00479654223065     -6.52753052114328      1.01104473774678
  N   -3.13354853255388     -6.75716982996941      2.48192084653094
  C   -4.11834984982785     -7.84320693160466      2.77152285216293
  C   -4.75352409693048     -7.58986922413057      4.13669555181603
  N   -5.24053113035726     -6.21641042565101      4.09055477004103
  Mo  -3.96869387113773     -4.79416668348023      3.48263738201423
  N   -2.25288290382186     -5.18680135710970      4.47706478226846
  C   -1.20565509032388     -5.79393768335519      3.66795068548242
  C   -1.80953175623993     -7.07129312010666      3.10115787672080
  H   -0.31931266797564     -6.04392221750169      4.26873658406025
  H   -0.87634980826142     -5.11159231016832      2.86394406945696
  H   -1.98241080540579     -7.76808045782369      3.93164966166311
  H   -1.15209620574809     -7.56464975395063      2.36860733380400
  H   -5.56632633170752     -8.31028390127842      4.30907555792960
  H   -4.02357831857184     -7.70912524285342      4.95240333749727
  H   -4.90537549665253     -7.79624345116833      2.00683317270577
  H   -3.62653169942350     -8.82731349199982      2.70602564880313
  H   -3.93586193466432     -5.25001840072617     -0.48058834655632
  H   -5.09784947062228     -6.03604295855751      0.60010312270100
  H   -2.02691193964675     -6.05709952928271      0.83293755924722
  H   -3.02654291847603     -7.48760446893190      0.47011113040029
  C   -3.21903208272719     -3.39401989312241      1.33032299425670
  C   -2.76700741369938     -2.76006896984375      0.15741588749915
  C   -1.93378292541848     -1.65733656941296      0.29545120243538
  C   -1.55314578964829     -1.21734381067273      1.57099925047763
  C   -2.02977177264913     -1.90595925221935      2.68926455319061
  C   -1.69448456224987     -1.46083276696860      4.05487054342221
  O   -2.29759081648103     -1.76357728971606      5.07706668924815
  C   -0.47558268772464     -0.54810232894397      4.21725833169672
  O   -0.44846974739169      0.63002512542803      4.34543471842851
  Br  1.14822107733602     -1.70004050243307      4.32481312297610
  N   -2.82820537238202     -2.98782252264790      2.56590424965700
  C   -6.58825416514406     -5.93316542227787      4.04550760391473
  C   -7.58965073517734     -6.64208954239131      4.75072831635690
  C   -8.90444302448208     -6.20253058043239      4.67820145012031
  C   -9.21988691051751     -5.07908766358832      3.90616108746064
  C   -8.17393408110938     -4.45706901007717      3.22452067026297
  C   -8.43080105608353     -3.32857635497200      2.30110537705715
  O   -9.46710328670032     -2.71288767880245      2.16782313396646
  C   -7.25423626834281     -2.98657244508997      1.35337448090509
  O   -6.98873206038084     -3.52003395793025      0.32986033312187
  Br  -6.34437821542664     -1.28443475759696      1.93728682095431
  N   -6.89332510158887     -4.86713143601467      3.27520975604378
  C   -2.03995956625896     -4.79974238519677      5.77626259155526
  C   -0.76477585543390     -4.52831551994180      6.33734841730993
  C   -0.67757447746708     -4.11000674775943      7.65793988691190
  C   -1.84020804898642     -3.97136268640347      8.42347582603674
  C   -3.04642358654798     -4.27507043623490      7.79382972273509
  C   -4.33905504397855     -4.24704845270478      8.51397598220974
  O   -4.56634928929732     -3.81451085036004      9.62384197675812
  C   -5.50698902562531     -4.86909791742232      7.70650142573542
  O   -6.33456952039421     -4.30210812954706      7.06411527818582
  Br  -5.60408414072897     -6.82113880887702      8.08323543808081
  N   -3.16061072319332     -4.67437678734660      6.51698621324429
  H   -3.08546124281496     -3.11245290297256     -0.82295005796563
  H   -1.58219008238364     -1.12543747489896     -0.58912416754795
  H   -0.91214925777207     -0.34395538490330      1.68768510362232
  H   -7.32196031202833     -7.49165305125443      5.37785340146764
  H   -9.68474265106756     -6.72687480997012      5.23121896783352
  H   -10.23744897773020     -4.70320174240821      3.80703118395892
  H   0.13655861873371     -4.60751664382793      5.73118346706876
  H   0.29762962208580     -3.88124638742678      8.08990668819605
  H   -1.82533196981703     -3.65692597598113      9.46616451250959
  N   -4.87748710060621     -3.12997952453246      4.59781043581077
  H   -5.44124598723419     -2.53076747559069      3.98068411475458
  H   -4.11336888750415     -2.55285852688541      4.97963659523085
  H   -5.47397477917525     -3.42925538205521      5.37721086588732
