74
Coordinates from ORCA-job orca
  N   -1.73702212106919      1.36930170487809      5.33986982904599
  Mo  -3.21340714617235      2.73188328801136      4.82374488162685
  N   -4.75204105466214      2.74366954871807      6.06091408827877
  C   -4.57410049917302      3.02881679299694      7.49603304902604
  C   -3.12457609720712      2.78559089089444      7.87717829791273
  N   -2.23377292926289      3.40245937187884      6.86008838607933
  C   -0.82900687026932      2.90514510210331      6.92896668355714
  C   -0.72235645587513      1.48700765160523      6.37946459373662
  C   -2.22773323504022      4.89009998384472      6.91739416491653
  C   -1.97632249658702      5.40768532784102      5.51209736958405
  N   -2.92830636075109      4.71821869787195      4.63183734668238
  H   0.28867177680867      1.32176497509047      5.97597326760896
  H   -0.90082845504533      0.73128087791016      7.15955737607686
  H   -0.22487779614109      3.58061683519020      6.31066055459910
  H   -0.45183400134420      2.96871106793149      7.96205582765950
  H   -2.13287186986861      6.49346879119846      5.46105879985912
  H   -0.95433785602978      5.18987775390170      5.17062520613160
  H   -3.21298599560527      5.23336423641227      7.25586862767175
  H   -1.47274196811031      5.24216454331593      7.63808127818833
  H   -5.24101217117713      2.37787792350196      8.08030679027596
  H   -4.89992841163646      4.06129759452233      7.70052210977465
  H   -2.91609506968797      1.70662428160083      7.88805965379811
  H   -2.91009331808132      3.18486433528604      8.88237501783311
  C   -2.35420750101002      0.22790393752918      5.01350637608705
  N   -3.53435660551424      0.49371681918928      4.48648438269581
  C   -4.41444897894994     -0.37951518129174      3.84558700938793
  O   -5.17904834558297      0.06751718576621      2.99132169323485
  C   -4.41531680986879     -1.81492487259453      4.24269289644141
  C   -4.72710740379596     -2.77859665283413      3.27183596616060
  C   -4.76558264770308     -4.12560194356798      3.62173877265898
  C   -4.51946531653541     -4.52713853225515      4.93827657487465
  C   -4.23306072692425     -3.55727448219719      5.89942864217548
  Br  -3.92740317401628     -4.08125246358427      7.70516506063678
  C   -4.17159608363149     -2.20590244431260      5.56883911847006
  C   -3.98029854668044      5.48223186187831      4.14712387478138
  N   -4.21063157840756      6.67734615295026      4.54852682575895
  C   -5.36218904431517      7.35174854740094      4.09500000920733
  O   -5.40745872981081      7.88862169607986      2.99748973108718
  C   -6.48401764489836      7.37085421699106      5.07959254191299
  C   -7.75418040320802      7.79265814727138      4.66146838540901
  C   -8.82872302733989      7.73582092707946      5.54573987538447
  C   -8.65324918072799      7.27506673012868      6.85471743203861
  C   -7.38019956652535      6.87622991839567      7.26088696087802
  Br  -7.10665658639529      6.25599969800935      9.04683505512570
  C   -6.29608769823423      6.91192390512858      6.39202580662154
  C   -6.01938425398568      2.90395748118254      5.54300556642232
  N   -6.97913988865717      3.37948006854751      6.25884363384508
  C   -8.14595303109203      3.76211380238677      5.54401851439130
  O   -8.11958865508444      4.06903309777186      4.35427117193831
  C   -9.37318830530487      3.86773763144958      6.37429781030844
  C   -9.38015714361045      3.54288746604715      7.73852539668551
  C   -10.55027336492998      3.69380369956196      8.48139256803044
  C   -11.71386031510561      4.17749179640210      7.88013217144285
  C   -11.69132443175345      4.49934789183790      6.51909902294037
  Br  -13.27083961499419      5.18159003630262      5.69805510038385
  C   -10.54116473973476      4.34523471720384      5.75773362555392
  H   -1.91103293274608     -0.76757180882574      5.16139304707212
  H   -4.93344654003963     -2.45716759864420      2.25095967163283
  H   -4.99441938083635     -4.87942171891083      2.86744515599924
  H   -4.55842851381902     -5.58057618296726      5.21464885460583
  H   -3.98366027067189     -1.46499092707818      6.34520331623481
  H   -4.64989703992930      4.95561187985372      3.45412837727385
  H   -7.88358564930050      8.14196663554308      3.63702400938430
  H   -9.82307515120591      8.04357541188935      5.21956713736631
  H   -9.49590614937034      7.22145460851849      7.54374285416755
  H   -5.30812254822006      6.60036920267789      6.72518699277399
  H   -6.13155229029538      2.64515073065761      4.48000929568542
  H   -8.46267309758213      3.19443787850499      8.20949735036652
  H   -10.56101130140711      3.44551304754390      9.54353454015473
  H   -12.62750620711935      4.30789189669278      8.45993482539823
  H   -10.51780450620290      4.60163122133553      4.69922521074320
  N   -3.74269481154798      2.69853921930205      2.96753709610144
  H   -4.31030391747303      1.92884093147579      2.58633219785416
  H   -3.50058594591498      3.39971413606987      2.26526529428908
