71
Coordinates from ORCA-job /scratch/magstr/orcajob__5670622-is8r/orca
  N   -3.33921000264453     -4.07396479125357      1.63778403746242
  C   -2.87824291209836     -4.98606620297223      0.61170642866108
  C   -2.45476373221011     -6.24697444420697      1.31829704529034
  N   -3.54627284569767     -6.66263678532588      2.23280726505514
  C   -4.69823834012317     -7.13937195965089      1.42082305985137
  C   -6.01108227006204     -6.83421315414140      2.08978241758876
  N   -6.01680406423314     -5.46521898077528      2.59824688103013
  Mo  -4.18718454088053     -4.89367407372960      3.64924898842062
  N   -2.56536153869395     -5.80901068665004      4.62763301309334
  C   -2.07110090935775     -7.09641621507717      4.11975746267794
  C   -3.06082828689404     -7.71144776762435      3.15410681912088
  H   -1.89930999968147     -7.79836438722233      4.95255263557391
  H   -1.09461753324241     -6.96469199518550      3.62061907601537
  H   -3.93263212637228     -8.09460071735525      3.69555542152832
  H   -2.59058326352497     -8.52824523235640      2.57962325605300
  H   -6.80674605838566     -6.96210039548469      1.33589474603183
  H   -6.20742347610528     -7.56299094691519      2.89778139232258
  H   -4.66683620607920     -6.62752533435097      0.45418134360841
  H   -4.59017754596226     -8.21966307894620      1.23089475986441
  H   -2.01752443922660     -4.56621013209508      0.06501953918534
  H   -3.65387359952910     -5.19758667062809     -0.14797438429134
  H   -1.56020208031500     -6.03864042551253      1.91566544908652
  H   -2.22821313720594     -7.06508993280505      0.61279735913234
  C   -3.40522782888413     -2.77686011007157      1.27096917918217
  C   -3.61181356299758     -2.39126434402711     -0.09080424718713
  C   -3.78856811503009     -1.07321352774932     -0.45099017652376
  C   -3.71432852682225     -0.07385897399112      0.53366241144230
  F   -3.95324596231180      1.21101258964004      0.16515586402798
  C   -3.41207948433282     -0.36240833927600      1.83917860137944
  C   -3.20544551980486     -1.70657646185287      2.22608547106771
  C   -2.61597260462159     -2.08092481039760      3.47485778556938
  O   -2.69528585086566     -3.25795986179866      3.95047726281295
  C   -1.72990116646254     -1.15895361406440      4.23605720384549
  F   -1.51228367889149     -1.64681358401418      5.48322720508818
  S   -0.98731573580591      0.21177007283171      3.77880774981519
  C   -7.24295558567521     -5.07812084299843      3.11593745717968
  C   -8.33981745828095     -5.98317691615645      3.18261222622068
  C   -9.57867416226668     -5.62149026434652      3.69529316722504
  C   -9.75940902853251     -4.32781335783282      4.17830784183677
  F   -10.96156635091686     -3.98375547014778      4.71294572610130
  C   -8.74458956971031     -3.39942343268017      4.13779780332685
  C   -7.48814463000102     -3.74030793147140      3.59395855993738
  C   -6.42911184396388     -2.76961668584837      3.53873803499338
  O   -5.20657346314972     -3.14153616359350      3.34937250885179
  C   -6.61274883168428     -1.33060148258165      3.66543144042889
  F   -5.47116438028760     -0.73439578435040      4.13590496892534
  S   -7.87686956002702     -0.38557213660625      3.23191757180735
  C   -1.89646499446332     -5.32398668438287      5.72197752005109
  C   -0.56526323083791     -5.76816268905819      5.98101789657777
  C   0.18518482855879     -5.30468696535935      7.04281351173783
  C   -0.38478722672517     -4.37363159809265      7.91590428843636
  F   0.36968801797955     -3.88395865051747      8.93493441614545
  C   -1.67347354417589     -3.93584489811240      7.75432914262776
  C   -2.47327731817116     -4.40615664132899      6.68217855453359
  C   -3.83202588622551     -3.94528688606271      6.58477629974821
  O   -4.54149163847785     -4.00638003657752      5.52100052240175
  C   -4.58324154175101     -3.38339634044185      7.72871817202009
  F   -5.58229815483018     -2.57277501939788      7.28584121076296
  S   -4.47669826661681     -3.72001573799114      9.31921381980892
  H   -3.73123214101007     -3.16205381691340     -0.85010312849135
  H   -4.02670639836642     -0.79759795382289     -1.47923562750056
  H   -3.35672265697803      0.43961240375429      2.57054027602081
  H   -8.22721273139987     -7.00536393635514      2.83340564589104
  H   -10.39642595436530     -6.34165148717555      3.74069581876162
  H   -8.91332917287265     -2.39912668919588      4.52975022692107
  H   -0.08830066416231     -6.46055693846980      5.29272881468369
  H   1.21445056111709     -5.63389269749130      7.18970175465415
  H   -2.07039130545833     -3.19914834697278      8.44743246753380
  N   -5.06555737957800     -6.37351414015855      4.71200739761148
  H   -4.62767726260494     -6.61943571776206      5.59859594945553
  H   -6.08387212873194     -6.39183278846390      4.79797441988946
