67
Coordinates from ORCA-job /scratch/magstr/orcajob__5670636-GCXv/orca
  N   -3.95759055892281     -4.67973158361770      1.88491234085061
  C   -4.17741424629169     -5.90862241250995      1.16670954338005
  C   -2.91483518344441     -6.80842573185548      1.18424693710687
  N   -2.49076683886554     -7.23393867203916      2.49269665531745
  C   -3.34783904460961     -8.11672425746562      3.24290696873540
  C   -4.00854874324013     -7.47827196213564      4.48059278670045
  N   -4.64426916873197     -6.22616944924021      4.17684893231822
  Mo  -4.02789226728640     -4.09100678278884      3.95702029626310
  N   -2.16372656280623     -4.91161560244164      4.35145756904389
  C   -1.08845322849925     -5.35813410911109      3.50091096529302
  C   -1.22131033902341     -6.83514754352564      3.04581883889603
  H   -0.11466765239743     -5.23253205921711      4.00867804516179
  H   -1.07002847059781     -4.69914902451770      2.62263859117730
  H   -1.02320878434113     -7.48903104750166      3.91031376237146
  H   -0.39856024503781     -7.01479573231410      2.32382580168857
  H   -4.72039497140808     -8.20010195093961      4.91594278216174
  H   -3.23118584908382     -7.32530465476443      5.24939768349050
  H   -4.13771716132455     -8.47583994807038      2.56482213021877
  H   -2.79120856871860     -9.01256100650461      3.58706615385956
  H   -4.46297362970523     -5.72416421523181      0.11491275723302
  H   -5.01356744987839     -6.44578916098165      1.63415735718964
  H   -2.08445979946426     -6.25707163666151      0.71639906870154
  H   -3.13015566670154     -7.68154088291429      0.53210047080617
  C   -3.27623894018403     -3.65867320118443      1.33196430893877
  C   -3.04905147211004     -3.34861813217122     -0.02954630017051
  C   -2.43551213807678     -2.13694700593303     -0.30870540909572
  C   -2.06704991758408     -1.26175745634118      0.72896804170513
  C   -2.27871911444641     -1.66169116335264      2.05358696399787
  C   -1.72881087075238     -0.90146116282019      3.21056592798184
  O   -1.21406805875819     -1.44272503728316      4.17335192085151
  C   -1.83126847988753      0.63881395399013      3.12370975906245
  O   -2.25783960909676      1.28448180966667      2.21391164909517
  Br  -1.19807079350842      1.50315887772199      4.78983197045143
  N   -2.82452785609626     -2.85638008475224      2.32722523777769
  C   -5.95498180793374     -6.02121368569800      4.26298204167229
  C   -7.01925946468118     -6.93606681038209      4.46280245466759
  C   -8.31884211842295     -6.46108739792657      4.45354980349345
  C   -8.57126031125352     -5.11756728281987      4.16514659231575
  C   -7.49785714661321     -4.25954120588231      3.89205080589533
  C   -7.88988696155116     -2.94254804681184      3.32099315767923
  O   -9.03349382056454     -2.50401647758836      3.39593760851335
  C   -6.83952411568567     -2.21054198529185      2.51104677185499
  O   -5.65287152599267     -2.27768431144659      2.65988551515727
  Br  -7.62620249522976     -1.03824649600732      1.12271898631465
  N   -6.21173950926192     -4.68271703332570      4.01043073667293
  C   -2.31390792852256     -5.20229901495201      5.65466370298092
  C   -1.44368881097821     -5.83849737626917      6.57369885317168
  C   -1.92447453386045     -6.12384549151602      7.83980223197737
  C   -3.24577624464253     -5.79494925473126      8.18493976862117
  C   -4.02589462650264     -5.10072960631233      7.26092082190643
  C   -5.41057632466706     -4.71176701920312      7.65854073334067
  O   -6.14434075319134     -5.44076196901836      8.29985818385015
  C   -5.82145488139898     -3.25084263626554      7.38795147974231
  O   -5.06808930640113     -2.32366007240464      7.44254311825315
  Br  -7.75485493365444     -3.02212355274511      7.16032777701167
  N   -3.56583699024666     -4.80247411040412      6.03349323120589
  H   -3.39557875586194     -4.01302239608151     -0.81972437622783
  H   -2.25192261393999     -1.84280634628293     -1.34348386840277
  H   -1.58264591855320     -0.31337449203410      0.51091657296060
  H   -6.80654470922768     -7.99001327317296      4.63512368725462
  H   -9.14985729068942     -7.14500470080872      4.63405929007344
  H   -9.58129353973068     -4.72408610231227      4.07861349885390
  H   -0.42579061604660     -6.08876764501383      6.27697263726331
  H   -1.27899297187645     -6.61684251031449      8.56812919588821
  H   -3.66849815375508     -6.03612526945929      9.15832991222746
  N   -4.01277234251374     -2.53300569155651      4.75868163333851
  H   -3.89912479566769     -1.96382570715176      5.60038993191130
