68
Coordinates from ORCA-job /scratch/magstr/orcajob__5670638-e7De/orca
  N   -3.87199825372738     -4.82377096484012      1.71340922264307
  C   -4.08149206011395     -6.04755115851527      0.98779809527923
  C   -2.87634355470468     -7.00019201593363      1.18038530262869
  N   -2.58555051885694     -7.29490307186936      2.55914892303749
  C   -3.49428711219811     -8.13699208833325      3.30026234018257
  C   -4.17481083490300     -7.43635453764249      4.49257148051976
  N   -4.79191276390259     -6.19059218742935      4.11455498309258
  Mo  -4.10772863937230     -4.28920815641001      3.65693415267632
  N   -2.30858935753516     -4.91122999462722      4.36710427191544
  C   -1.22616061928523     -5.38522884318194      3.52355438309824
  C   -1.33859168314115     -6.88705922334702      3.15828443440678
  H   -0.24655459003341     -5.20269990722926      3.99762749174812
  H   -1.23645326820882     -4.79050652364388      2.60069967844102
  H   -1.18973958678349     -7.49470169713206      4.06488430377763
  H   -0.48762000785128     -7.11187399387593      2.48562994266043
  H   -4.91349368805468     -8.12277275640078      4.93798531197516
  H   -3.42254881004750     -7.24248947130546      5.27293153990164
  H   -4.26968571943170     -8.49040989363358      2.60396475609595
  H   -2.97856252054327     -9.03784505241294      3.69152217708059
  H   -4.23435033954950     -5.84795142431429     -0.08667398667470
  H   -4.99624071220642     -6.52616667543745      1.36422880778401
  H   -1.98433960992708     -6.53741418735778      0.73097842820869
  H   -3.08650120179551     -7.92496675383480      0.60579753446224
  C   -3.21815002598703     -3.74168616769585      1.22936426548251
  C   -2.80457110915403     -3.37157922416547     -0.05735628840484
  C   -2.20152411679393     -2.12467803681504     -0.19780742956203
  C   -2.01582781378531     -1.28564427906732      0.90734490698626
  C   -2.40527871565924     -1.73389248035383      2.17645094292088
  C   -2.01732542224720     -1.02027228901059      3.42295029771099
  O   -1.63182013638016     -1.61769457132672      4.42297906009167
  C   -2.09840226345947      0.50185759165335      3.37439397720250
  O   -2.50105519445193      1.17628765375523      2.46949164276502
  Br  -1.47451668091364      1.32237663357427      5.06853940666362
  N   -2.98620543213753     -2.94197014552667      2.31008466592195
  C   -6.13504429876562     -6.01355596003936      4.00417328227657
  C   -7.21074777119966     -6.89272582865218      4.19829838831919
  C   -8.50050348163218     -6.38223468132864      4.05261936703932
  C   -8.69908413343750     -5.03845783061348      3.73936545747745
  C   -7.58128302609187     -4.21612928094117      3.51850246247008
  C   -7.83044001035214     -2.77604527030682      3.23334840592477
  O   -8.86803591287712     -2.21866027863771      3.61256729711836
  C   -6.79603348105813     -2.08278535057538      2.40696930287356
  O   -5.85968651944093     -2.59820779984412      1.84566340097024
  Br  -7.08259830821704     -0.12052693816591      2.28165178355273
  N   -6.33554936315991     -4.71969419434268      3.61120401961720
  C   -2.29600568011066     -5.11437260808412      5.71445987757899
  C   -1.23673477707041     -5.72580606746343      6.44039115919778
  C   -1.38201421761450     -5.95190971699483      7.79736488056952
  C   -2.57490537667480     -5.59016304811027      8.43388655939606
  C   -3.54604122415989     -4.95219832677609      7.66133012981603
  C   -4.80915692998669     -4.53599019004329      8.32707920469756
  O   -5.18440761917195     -4.92737224301393      9.41602057980183
  C   -5.65241896342319     -3.46039427206992      7.61606443258279
  O   -5.32950381032659     -2.31933539936120      7.49639013670859
  Br  -7.42093261271374     -4.14364059456006      7.10347532226963
  N   -3.41972986701752     -4.68557026670607      6.34827362499609
  H   -2.97904222444731     -4.02200068365893     -0.91341846225038
  H   -1.86948123082996     -1.79096742316319     -1.18195099583173
  H   -1.53376088410333     -0.31828735611912      0.79319713514423
  H   -7.04041551944005     -7.93138976318931      4.47777798539355
  H   -9.35988287774813     -7.03932964899418      4.19683059010796
  H   -9.69080849990624     -4.60115143238923      3.64406953311217
  H   -0.31898282279487     -6.01192252011778      5.92912526935519
  H   -0.57268368589718     -6.41821868030237      8.36119496823842
  H   -2.75728614114712     -5.76386124608021      9.49272917553824
  N   -4.60983383281613     -2.60744364420366      4.50917349621283
  H   -4.90422820201926     -1.73777662763657      4.06629925058560
  H   -4.27848333120521     -2.45451093382771      5.46387195641966
