67
Coordinates from ORCA-job /scratch/magstr/orcajob__5670637-VXBp/orca
  N   -3.95342249009682     -4.51758161941343      1.24429265337008
  C   -3.78346887132390     -5.68441351995061      0.38195701113558
  C   -2.62598797772185     -6.50909910649163      0.94969904651484
  N   -2.89451440172752     -6.75974959457988      2.39052035576230
  C   -3.87855254538162     -7.85697968400529      2.55618170147674
  C   -4.74272688256340     -7.58216311844264      3.77300573607285
  N   -5.26955529376873     -6.21905940628576      3.64685291113869
  Mo  -3.94039076854645     -4.75268125048395      3.32220430733803
  N   -2.43270283685287     -5.15873914295276      4.56351300791150
  C   -1.24441321951111     -5.72177603780996      3.90582619688827
  C   -1.66821697697064     -7.00219268054640      3.19680810712289
  H   -0.46960120106569     -5.96216049625860      4.64656940653107
  H   -0.80726348522930     -4.99470176695531      3.20035190705146
  H   -1.90910833159535     -7.75376158504613      3.96023164354956
  H   -0.85708185808600     -7.40327874004492      2.56932901769127
  H   -5.55304815044733     -8.32259220848268      3.80447947417061
  H   -4.16151372516688     -7.67196317565673      4.70693867912617
  H   -4.52250165419676     -7.88215421038336      1.66819351117492
  H   -3.36780284692840     -8.83050046210875      2.63231096668150
  H   -3.56413659390419     -5.38451935175850     -0.65452719328852
  H   -4.72201878296535     -6.25427928372419      0.36009576984729
  H   -1.69667816228753     -5.92462325698288      0.87541745922420
  H   -2.47643662144816     -7.45808788982855      0.40697287086250
  C   -3.04742537544838     -3.49880489167225      1.11842479389160
  C   -2.56754488585412     -2.86588505476999     -0.05116089084069
  C   -1.69103931284622     -1.80486663839855      0.09924327486773
  C   -1.29925062811296     -1.38469671969824      1.38261412274548
  C   -1.80789642420636     -2.05821273199360      2.48912730544413
  C   -1.49939532509220     -1.61164582359529      3.87024187207571
  O   -2.16655843592983     -1.85520146764287      4.85638055365722
  C   -0.21509067648336     -0.79259717325297      4.06701348395048
  O   -0.08531762927840      0.37117870571732      4.23768340583882
  Br  1.30366314772998     -2.09834303263562      4.15732472349248
  N   -2.62982676289218     -3.11688840886919      2.34687525149991
  C   -6.63033687672391     -6.01724416999082      3.88682777174343
  C   -7.41053044881607     -6.90237620905777      4.66900588591472
  C   -8.76033103101635     -6.63258248036908      4.86166796420004
  C   -9.32645546183101     -5.49869934482836      4.28073733875451
  C   -8.47581430388846     -4.67597077816805      3.54062065031676
  C   -8.98168720171101     -3.45491814648463      2.86925967893186
  O   -10.13298779807765     -3.07855571135493      2.81266464477979
  C   -7.89608779311747     -2.61431040514187      2.15925784497273
  O   -7.53692773463760     -2.65677928642398      1.03352463655255
  Br  -7.30669845890396     -1.15379340002596      3.43385866382456
  N   -7.17260428490058     -4.91918432890186      3.33861100126260
  C   -2.34785845388409     -4.69032212134050      5.87360982870855
  C   -1.12901069069867     -4.34177795125803      6.49917705245029
  C   -1.15617157491373     -3.82334507141214      7.78950521156396
  C   -2.37835826586005     -3.65416198048399      8.44033411636149
  C   -3.52404961527296     -4.04773595809527      7.74587667630642
  C   -4.88172181102683     -3.92701691654274      8.33111551052601
  O   -5.18714204493385     -3.38059915511282      9.36896492179737
  C   -5.98755884131401     -4.57858161927107      7.46879400885599
  O   -6.74962724280658     -4.06436383077641      6.72101641195734
  Br  -6.11488255333220     -6.51205769735524      8.00404265501373
  N   -3.52034496745230     -4.56448389326272      6.51040730712142
  H   -2.90645501737001     -3.18745453128896     -1.03518579711242
  H   -1.31466571914075     -1.28020860430272     -0.77964164846620
  H   -0.62417182652501     -0.53845669630748      1.50861723139770
  H   -6.95918455106340     -7.76065520415582      5.16199488841605
  H   -9.36288521952800     -7.29969375878243      5.47894966612755
  H   -10.38066384884941     -5.24550041241629      4.38745698040442
  H   -0.18098753691415     -4.42315554225885      5.96985645559997
  H   -0.22446938465091     -3.53159448974746      8.27553754257796
  H   -2.45761517162178     -3.24053494983660      9.44513876233589
  N   -4.89878945140546     -3.51331215533789      4.01104969275380
  H   -5.60586683161034     -2.84507537490124      4.34788700007092
