71
Coordinates from ORCA-job orca
  N   -2.65590646314937      1.98674684479245      4.92141885851314
  Mo  -4.43900809809645      2.00918634824090      6.01473761566150
  N   -4.31063782776750      0.48303402450034      7.33145540819154
  C   -3.90607138892786      0.88709227688747      8.67866902698272
  C   -2.67058717444370      1.75144389312044      8.51663683688237
  N   -2.94216258879666      2.79857457140851      7.47992167743213
  C   -1.68809485974560      3.15866484544051      6.73401985946065
  C   -1.39304169118466      2.15499080518794      5.62056771595619
  C   -3.56779365815932      4.01804990326443      8.07275674602359
  C   -4.17087591724530      4.88243217215552      6.97665745413322
  N   -4.87000767231698      4.00787938710020      6.03243851634342
  H   -0.61020418872966      2.56724219620639      4.96351966465950
  H   -1.02615229815736      1.19535689411711      6.02228003571173
  H   -1.85202561467986      4.14140556977048      6.27635921627332
  H   -0.84963036506796      3.24400906950591      7.44324310033673
  H   -4.88075557519769      5.60309700780755      7.41094410809492
  H   -3.40827786780419      5.48219749254135      6.45179717318332
  H   -4.36031329030581      3.66706897250508      8.74655313513581
  H   -2.82439226738120      4.57688570265100      8.66693907456760
  H   -3.66689958581976     -0.00128927127542      9.28703484746910
  H   -4.72523809487423      1.43358207549769      9.17632454580679
  H   -1.84182013107565      1.13139866775151      8.14758335014774
  H   -2.35371523271958      2.22601787417858      9.45888185220585
  C   -3.04639881097337      0.91702495110216      4.24018520264337
  N   -4.38528921573249      0.85542943001477      4.13581155261192
  C   -5.08108826231137     -0.23815005361288      3.58977354359609
  O   -6.19964432624205     -0.08888395219745      3.11766750217451
  C   -4.43449035368721     -1.58919893816723      3.66031261812016
  C   -4.64983582806150     -2.50026050627350      2.61680203846358
  C   -4.09918844269382     -3.77781838169489      2.68479921187712
  C   -3.35571300869896     -4.17508329508266      3.80092001153538
  C   -3.17420969027541     -3.26654469074392      4.84267156373442
  Br  -2.18993175528172     -3.79964006918389      6.39244656579735
  C   -3.69396839742887     -1.97634066488746      4.78876085964556
  C   -5.79864969450140      4.55648091663754      5.23203881036315
  N   -6.04255015502585      5.84211016218485      5.20342017402573
  C   -6.94303712481381      6.27089267871118      4.23234033665552
  O   -7.19050148752333      5.67721068057104      3.17768999722633
  C   -7.61064683468233      7.57689961484732      4.55328292643576
  C   -8.59761917001561      8.06822644817839      3.68899775065821
  C   -9.26860361273592      9.25098696369867      3.99129958624654
  C   -8.96953115233330      9.95943559108421      5.15903300225235
  C   -7.98167424808501      9.45879103509347      6.00696257330818
  Br  -7.57386667909769     10.40223788687168      7.62491269001892
  C   -7.29488470607580      8.28475212194351      5.72216427292417
  C   -5.64038856687083      0.54640610547429      6.91622530511936
  N   -6.28059881467559      1.70471326402207      7.29981672565482
  C   -7.61174821717800      1.86621914456432      6.96253556812673
  O   -8.35745907804090      0.94740287083412      6.59770133900949
  C   -8.11729807597894      3.26874074176801      7.10764392883022
  C   -7.56285778181027      4.16823110265314      8.02827125870160
  C   -8.07028419637849      5.46131678964008      8.13936542770278
  C   -9.12221574227563      5.88211643368287      7.32268630881290
  C   -9.66236667485252      4.97771799921613      6.40769570070944
  Br  -11.08761339625887      5.55007020357570      5.27202447290475
  C   -9.18676893187524      3.67550633499607      6.29730098681486
  H   -2.36558613363388      0.14219975212319      3.85651768237767
  H   -5.25063242970000     -2.19119148371741      1.76116602013635
  H   -4.25066565626716     -4.48256552142193      1.86584267705052
  H   -2.93188511656627     -5.17716498072643      3.86135612348805
  H   -3.56611441006293     -1.29739724872889      5.63497962445859
  H   -6.34891622496334      3.85004277029101      4.58934830600141
  H   -8.83225687798065      7.49737524605866      2.79054351509028
  H   -10.04206007165205      9.62975310318112      3.32120241973526
  H   -9.49627793791661     10.88095621671964      5.40616812095308
  H   -6.53078050906551      7.89468431430298      6.39128991202151
  H   -6.12738371437433     -0.28194502653355      6.39485352121802
  H   -6.74011313025107      3.83594224753177      8.66053161509863
  H   -7.64415228817016      6.16095108339663      8.86074679904147
  H   -9.50969908793369      6.89803161901625      7.38968088368796
  H   -9.61850012734252      2.96903366562861      5.58882014776561
