70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670621-X3A1/orca
  N   -3.43586862486770     -4.01549033685001      1.50785370722082
  C   -3.38327866750800     -4.90281093920354      0.36168860750055
  C   -2.75545867432373     -6.17563422475190      0.87241802266682
  N   -3.50905024671540     -6.61446220674120      2.07222826713452
  C   -4.80012486124504     -7.23032661163033      1.63998273856360
  C   -5.91188639420926     -7.02512526172044      2.64595312894551
  N   -5.96440396473413     -5.60914583650400      3.03563333818797
  Mo  -4.13465222693605     -4.74066562015942      3.44683332953036
  N   -2.72314179787064     -5.96607991812804      4.67869572791586
  C   -1.83435059956301     -6.84461894836434      3.86787968727014
  C   -2.68411085962765     -7.57697848433183      2.85494979676770
  H   -1.33776748196047     -7.57457345240661      4.52493770389256
  H   -1.07161727423838     -6.21068192412565      3.39698691328207
  H   -3.35023250127088     -8.27638083574219      3.36631553795800
  H   -2.03799789904048     -8.14987477081207      2.17195821314372
  H   -6.84874901713022     -7.32560730616100      2.15533010183466
  H   -5.76996857428355     -7.65939552393208      3.53487626691438
  H   -5.09470134137013     -6.75258833798559      0.69798093104234
  H   -4.64676683126384     -8.30177047127107      1.43532469237730
  H   -2.76286335183124     -4.48146167252786     -0.44338743922335
  H   -4.38613156761394     -5.09153004241490     -0.06551546908597
  H   -1.71976993090770     -5.97107977070827      1.17516333303762
  H   -2.75306574924960     -6.97882063468286      0.11732352126381
  C   -3.33516890024397     -2.67352482913308      1.24636653889857
  C   -3.77548103252629     -2.12727021533793      0.01315585486271
  C   -3.72087202121437     -0.76833430534962     -0.23987526520304
  C   -3.19331337774420      0.08816263898768      0.73423392166613
  F   -3.17697719539698      1.41478944548859      0.49006624896281
  C   -2.69923578641440     -0.38651607929606      1.92924701882188
  C   -2.75270376556996     -1.76766287286573      2.20400611536584
  C   -2.15021486069271     -2.31951654123561      3.39071258684004
  O   -2.45601121969630     -3.46376629783850      3.84331303025532
  C   -1.03183958794522     -1.65189192918725      4.11773335975732
  F   -1.00821254903335     -2.05453597502825      5.40994345913293
  S   0.12539301968090     -0.69226399091036      3.52310201428059
  C   -7.17083170226543     -5.13606895493871      3.48757612428107
  C   -8.22730023821193     -6.03109913363816      3.81513078744831
  C   -9.42103312169131     -5.59040936816045      4.35283542148019
  C   -9.61808163901233     -4.21973698100493      4.56303348456287
  F   -10.77648650993413     -3.80683287289189      5.11570630737414
  C   -8.65661242598123     -3.29772522217467      4.22956419556689
  C   -7.42845119888235     -3.72711525690079      3.67701722462155
  C   -6.46277321965252     -2.76503470268612      3.24303677787035
  O   -5.23294665796120     -3.04765574083895      3.04241105935943
  C   -6.80776355973678     -1.36434145237216      2.88258015021513
  F   -5.75134411185586     -0.54784150387869      3.10825320522530
  S   -8.15484933028858     -0.81407536386132      2.17935145823369
  C   -2.16462587061150     -5.35587567822822      5.85099378072236
  C   -0.79273884499112     -5.50312426229566      6.09564567812199
  C   -0.20819549848165     -5.00026413918283      7.25003744585777
  C   -1.02483325556829     -4.34081311895033      8.16553081647060
  F   -0.47322028808898     -3.84255934811820      9.29215442311919
  C   -2.37256765501968     -4.14791417091527      7.94354255095456
  C   -2.98264823637911     -4.62596188505235      6.76306076900862
  C   -4.33948575354929     -4.19567995484386      6.44444417809481
  O   -4.71827495527691     -4.06458197850336      5.19515027083265
  C   -5.33855949723008     -3.80239027464342      7.41419983729583
  F   -6.36417202256245     -3.12559203184555      6.80804212325650
  S   -5.45552559960537     -4.14914268304507      9.00644637972217
  H   -4.22322481963330     -2.78248312864613     -0.73260897267019
  H   -4.10358012193502     -0.35239767470917     -1.17256422017321
  H   -2.29630782760920      0.31319395060072      2.65806379483875
  H   -8.08326337101724     -7.10318579546222      3.71154641608836
  H   -10.19874668931974     -6.29818010633454      4.64180484498845
  H   -8.83942373430903     -2.24224438025633      4.41591120130595
  H   -0.15597920470385     -6.02905500695534      5.38954282561208
  H   0.85677027523687     -5.12156318763261      7.44453791696067
  H   -2.95510161892043     -3.58008700227502      8.66463233998404
  N   -4.03813356199125     -6.44516817852366      4.67457748434683
  H   -4.45706141840098     -6.24319432797249      5.59322937723953
