71
Coordinates from ORCA-job /scratch/magstr/orcajob__5670635-mLia/orca
  N   -3.73263144422182     -4.94561688721406      1.58713755846400
  C   -3.72453448428748     -6.19084711794156      0.86383012188238
  C   -2.46693251292786     -7.04973900384959      1.15974108576858
  N   -2.24993256499728     -7.38460099465569      2.54119379341972
  C   -3.16868263255196     -8.26316643441220      3.21994082703758
  C   -4.02513054023061     -7.59631064794968      4.30872816194691
  N   -4.79328013454946     -6.48804654837627      3.79119670424988
  Mo  -4.43403283959378     -4.40078183591795      3.39893927317422
  N   -2.55248033038445     -4.87030435276770      4.18117557460809
  C   -1.29625083508146     -5.27491739587320      3.59982533172763
  C   -1.17307045169523     -6.78680610544923      3.28626110415828
  H   -0.46501677170883     -4.98671834181920      4.26593281876646
  H   -1.15336336081510     -4.70584810540591      2.67053661153146
  H   -1.07468101564930     -7.34478497382576      4.23060314900113
  H   -0.21338739198315     -6.90956510375652      2.74636121153907
  H   -4.69616314253835     -8.35109214176386      4.74914237155090
  H   -3.36429682353258     -7.25447845270208      5.12436129704376
  H   -3.83466241756117     -8.70880988484701      2.46566634767795
  H   -2.62350968529013     -9.09912218309049      3.70195830203829
  H   -3.77805261355602     -6.00923916581908     -0.22496990185097
  H   -4.62552367502969     -6.75287315977808      1.14485532941112
  H   -1.57549489289246     -6.51575399299544      0.79523340954411
  H   -2.56450224233122     -7.96582337485288      0.54391652081033
  C   -2.98524519863726     -3.86435933339034      1.22711407679887
  C   -2.28071405525014     -3.60923855041613      0.04557170689822
  C   -1.62288201591774     -2.37922815631236     -0.05015293629060
  C   -1.64796333469692     -1.48480315959664      1.01489092574257
  C   -2.33685559867628     -1.81487758200269      2.20205545758795
  C   -2.16461266472390     -1.01484050827444      3.43759501068021
  O   -2.29623521248588     -1.51815830104912      4.57482409300676
  C   -1.79217604552273      0.42485799506177      3.25207412591616
  O   -1.95435932914142      1.11008063295925      2.27637644981492
  Br  -1.01372615644181      1.22249510265871      4.90923918104945
  N   -3.02686262953783     -2.97676474365000      2.26180749351579
  C   -6.09779525251003     -6.32592249037865      4.05724010590587
  C   -7.08582675809824     -7.14710365729034      4.62400630538559
  C   -8.38833665068846     -6.64552920693054      4.68379349715385
  C   -8.69326073057030     -5.37773973348109      4.18632947010403
  C   -7.66750272485643     -4.57373779366599      3.67020358632308
  C   -7.99492703812370     -3.26747247599750      3.07274442298787
  O   -9.07808276285849     -2.69512494830465      3.21877846875272
  C   -6.94007121025450     -2.78184823766890      2.12827847282810
  O   -5.82486397036865     -3.29215132038949      1.94274141317749
  Br  -7.44716719093504     -1.23790365531391      1.07908892895595
  N   -6.39492557212523     -5.03233877671079      3.70281571648108
  C   -2.82019897533240     -4.92338809033260      5.48791127816680
  C   -1.99153325651277     -5.27849301347115      6.58044918831193
  C   -2.56319212608896     -5.34736924489063      7.84055959574879
  C   -3.92532477588306     -5.06707548896589      8.00881035836088
  C   -4.68122253259018     -4.66640957426760      6.89999225385050
  C   -6.08161997623341     -4.24718860807727      7.09903312105043
  O   -6.78420101025546     -3.65977452333072      6.27719673897584
  C   -6.67646524273784     -4.59593288543090      8.39276701950438
  O   -1.76773214579457     -1.55231484346883      7.41078403912000
  Br  -4.71475425389529     -1.18889599250789      7.74008628364189
  N   -4.13575433539477     -4.59289540224786      5.66615647747158
  H   -2.25460832873712     -4.34014354279107     -0.76117348942131
  H   -1.07133774391552     -2.13130217885135     -0.95607077913273
  H   -1.11198648069054     -0.54390236911618      0.95409780460581
  H   -6.84565620558816     -8.15081287440076      4.96862315871627
  H   -9.18199583195247     -7.26816317942628      5.09658535399103
  H   -9.70863034495236     -4.98954522381376      4.15444161661364
  H   -0.93823419817739     -5.50032656206721      6.41725049227429
  H   -1.95245581455934     -5.62136065077032      8.70063714052039
  H   -4.39190294188920     -5.10882965169169      8.99122784537831
  N   -4.98688984632071     -2.46958577180356      4.31747436644515
  H   -4.16064896228907     -2.11556702859993      4.82240117109151
  H   -5.74010982766891     -2.63398766877627      5.00785258971379
  H   -5.28231946626116     -1.73275432487176      3.67067680137626
  N   -2.51363370055028     -0.72274236798156      7.16673446627127
  N   -7.22412276989591     -4.88432083283643      9.37954313107374
