70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670646-5oSm/orca
  N   -3.94629308073050     -4.64758165581448      1.28469730942279
  C   -3.93556202110650     -5.86268531546299      0.48102311697677
  C   -2.79559621151854     -6.73083145068185      1.01183673393214
  N   -2.94836401602454     -6.84743285376578      2.49136676511090
  C   -4.01983675673656     -7.82912868545954      2.82239767200420
  C   -4.76118185776551     -7.37538624656767      4.06860371520887
  N   -5.14977929005151     -5.98319067625403      3.85150305625745
  Mo  -3.65139548291334     -4.70931648184782      3.34811888262837
  N   -2.12308680727229     -5.26693657878719      4.52696897810786
  C   -1.05691035223437     -5.93555220158257      3.78055249335263
  C   -1.67016093521675     -7.19318383693280      3.17842502427343
  H   -0.21785884479332     -6.21761476337267      4.42990793138554
  H   -0.66265409008959     -5.26211848529632      3.00292143768191
  H   -1.89912615760666     -7.89407840523330      3.99194654973604
  H   -0.98108633730590     -7.69374831503839      2.48106137807746
  H   -5.62699675150289     -8.03380528548917      4.21820124602894
  H   -4.12183226118262     -7.45019821566285      4.96403202700541
  H   -4.72909361842916     -7.85720769552003      1.98642749353176
  H   -3.59026121723410     -8.83654139118338      2.93866436873586
  H   -3.77752085704935     -5.63706529752766     -0.58536304334803
  H   -4.90860157057984     -6.36562392506069      0.56921569579919
  H   -1.83746068206065     -6.22817651765892      0.81327949269453
  H   -2.76383685580594     -7.73114817953174      0.54693144422455
  C   -3.04817814247547     -3.64831873735380      0.98572208314374
  C   -2.86524880769260     -2.91243838388290     -0.19192144352201
  C   -2.07930225061837     -1.76291709806218     -0.10788902028952
  C   -1.52949924205327     -1.35685934522973      1.11355587911542
  C   -1.69500304350720     -2.17789967663461      2.23350012938517
  C   -1.17403083820576     -1.90636878116202      3.59207169156372
  O   -0.67281051137178     -2.77545973704301      4.30662058665686
  C   -1.44420899951384     -0.51064057034309      4.09179604392465
  O   -1.42850633237694      0.53967595224522      3.53280232974725
  Br  -1.98158776203025     -0.60688264529997      6.08837065149787
  N   -2.37897942747351     -3.34516892823049      2.12738019534136
  C   -6.46983884543747     -5.59828203143359      3.97981716737706
  C   -7.46607025830533     -6.37188677416480      4.63396553865172
  C   -8.76204647362121     -5.88355525677390      4.73289154448931
  C   -9.07820601474917     -4.63405116751893      4.19508078498526
  C   -8.03826552907910     -3.94054075381079      3.57683909369568
  C   -8.24257554009696     -2.60677123595633      2.97076487196756
  O   -9.26323752928811     -1.94963911205882      2.95193242344902
  C   -6.96965638777873     -1.99684399950254      2.33478710561837
  O   -6.17926602175009     -1.28536419186585      2.88893378223094
  Br  -6.91837856891379     -2.30484567775660      0.40293516838369
  N   -6.78136626789629     -4.39567068490219      3.45651440887499
  C   -1.96292928842560     -4.95824214383992      5.86669808583797
  C   -0.69267513958137     -4.83585418048906      6.48977846562968
  C   -0.61495689401344     -4.48283262325805      7.82859456161010
  C   -1.78798389325014     -4.25487836087288      8.55370365212126
  C   -2.98948938844498     -4.41501933175840      7.86563406338248
  C   -4.29473318292094     -4.24680907533435      8.53434422236181
  O   -4.51496085366663     -3.83363101992316      9.65473063396647
  C   -5.50649304478043     -4.64462341247424      7.65646863461274
  O   -6.13643524390650     -3.92563402021200      6.93167055754489
  Br  -6.07925883179518     -6.47380747690493      8.06720814183883
  N   -3.09318258019173     -4.76218984645839      6.57019914279634
  H   -3.38337822880185     -3.18759445781890     -1.10962457522154
  H   -1.92744325554851     -1.14670578456217     -0.99520056449864
  H   -0.95920268981905     -0.43370490759246      1.19360431005648
  H   -7.22168032957194     -7.32672341205916      5.09430380976121
  H   -9.52323097136474     -6.47405444904392      5.24442826837856
  H   -10.07830738799089     -4.20516441301316      4.24377421461295
  H   0.22093273292057     -4.95604302290243      5.91187920543041
  H   0.36046534768173     -4.36532462909950      8.30195726388078
  H   -1.78668261076687     -3.97260008674387      9.60581362844412
  N   -4.22161013775793     -3.28483314264051      4.22264005484854
  N   -4.72268683829986     -2.31605036855434      5.07433715401998
  H   -5.24477356786720     -2.75764955265987      5.87315605505703
  H   -5.37101453509218     -1.69322663324573      4.53796826577825
  H   -3.93225933729608     -1.73364535206278      5.46842196263012
