68
Coordinates from ORCA-job /scratch/magstr/orcajob__5670642-clSg/orca
  N   -4.20106994003513     -4.73594813838341      1.85895107761654
  C   -4.38672565161756     -6.00106281417065      1.18838538569470
  C   -3.12232088390797     -6.89687333562308      1.18648106558438
  N   -2.64274852233380     -7.29087872247900      2.48550917749265
  C   -3.47938882698654     -8.12010450882051      3.31173806512253
  C   -4.04521389614261     -7.40527475403936      4.55633500370106
  N   -4.69688142065103     -6.16083940373546      4.26307525050360
  Mo  -4.15045541806809     -4.10499150308870      3.89485565138211
  N   -2.26530433165060     -4.87522660087462      4.20170260163150
  C   -1.21782085743372     -5.36931224152503      3.34064528354286
  C   -1.35779865234451     -6.86964864527945      2.97624196418320
  H   -0.22574937586399     -5.20819697132678      3.79944739238729
  H   -1.23502849152070     -4.77060772946266      2.41903204538507
  H   -1.13163336612000     -7.47367482816742      3.86938661242773
  H   -0.55712022580610     -7.08658771658678      2.24067943170944
  H   -4.74620065022019     -8.08298198651259      5.07566740944418
  H   -3.22029888207383     -7.22450180508349      5.26309806660855
  H   -4.31667239913145     -8.47849519885008      2.69345231946417
  H   -2.93335079714452     -9.01959478128799      3.66252341348871
  H   -4.68730695551164     -5.82884245260274      0.13891900765723
  H   -5.22159845338767     -6.53620091867248      1.66043336456978
  H   -2.30887023575008     -6.36426052179916      0.67116030589327
  H   -3.36269844517351     -7.78570810172569      0.56587061630981
  C   -3.39932081217126     -3.80055473641103      1.32425961697293
  C   -2.79380560498213     -3.69664689547594      0.05271333414325
  C   -1.91327882700081     -2.64704393771154     -0.15283213397854
  C   -1.64418581648368     -1.73043562739317      0.87760727533748
  C   -2.30970089382024     -1.85889133669691      2.09398116846303
  C   -2.07835218664740     -0.78426397684274      3.12419282681375
  O   -0.95820010058377     -0.46646446597610      3.49943887505215
  C   -3.27754265698148      0.15812794030400      3.28741938856366
  O   -4.16924013636584      0.26516486421291      2.50131436577734
  Br  -3.11437140579241      1.34597005321346      4.86118758768341
  N   -3.17345326387754     -2.87078776902714      2.30239322553946
  C   -6.01356411075167     -6.05106323472713      4.03542364561319
  C   -7.06977779613469     -6.97740709970369      3.99211601024834
  C   -8.34720699862944     -6.47820674220919      3.72543640514267
  C   -8.55834524360697     -5.11839487255449      3.49569576443180
  C   -7.46102339644743     -4.24433430783951      3.54557787021397
  C   -7.65814104423214     -2.78745966686447      3.41786856782842
  O   -8.74093861592138     -2.29211978326837      3.08706516805942
  C   -6.49288605216723     -1.97172876467152      3.82005459196206
  O   -5.32087606986264     -2.37913102904764      3.99154214158385
  Br  -6.88585047481686     -0.12949466501638      4.14434615534685
  N   -6.23171929341325     -4.72037095312445      3.81511877224400
  C   -2.31856759549652     -5.04196572628258      5.53194630350098
  C   -1.39564844082425     -5.64412191719469      6.42353615782958
  C   -1.77203420631242     -5.81428070043718      7.74497257058031
  C   -3.03932622707629     -5.39073355495585      8.17298113102550
  C   -3.88137056628916     -4.74690463961648      7.26626720518496
  C   -5.20316559344223     -4.27486398359822      7.76003789633994
  O   -5.78426351258132     -4.79196077537512      8.69499581334235
  C   -5.76639626840127     -2.97378909859950      7.15988043386503
  O   -5.13261922838759     -1.97154819090360      7.03210196519025
  Br  -7.70986874538083     -3.06517052317824      6.88663816086209
  N   -3.53224718195214     -4.55007517704958      5.97711688280936
  H   -3.00676173829799     -4.42705991869594     -0.72645161117289
  H   -1.42247120119928     -2.53066417266532     -1.12040949619913
  H   -0.96378079877100     -0.89287818662062      0.73439619789981
  H   -6.89353743351840     -8.03889727927528      4.15810421767125
  H   -9.19432720455344     -7.16637065712873      3.70068749255174
  H   -9.54500242672900     -4.70089386349581      3.30704224995722
  H   -0.42789708455342     -5.98119862061704      6.05418335665007
  H   -1.08632761617064     -6.28156173876855      8.45279446081065
  H   -3.37702147227148     -5.52368440367499      9.19890840504646
  N   -2.86015064335157     -2.23536397365705      4.74641105994055
  N   -2.09686746274334     -2.12522893334139      5.65269709043452
  H   -1.96294687212997     -2.96135827793891      6.28400392103555
