95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655533-Pev6/orca
  N   -3.51430015802026     -3.57174666799289      2.00145043724179
  C   -3.00807484725165     -4.50739078692798      0.99129758434630
  C   -2.52575126996757     -5.79163342317653      1.65464231988558
  N   -3.46461062009679     -6.20768177053781      2.72098746014843
  C   -4.72151307647442     -6.78898941097569      2.19756285601014
  C   -5.84421892592537     -6.61300372920920      3.21469784491935
  N   -5.78190407334826     -5.27335885785953      3.80174340604145
  Mo  -4.04732548081274     -4.30434301542316      3.76242806372880
  N   -2.56572550061851     -4.90687324088283      4.94941331585184
  C   -1.92878982704475     -6.19178822503205      4.65270174752372
  C   -2.83361012329065     -7.04122147077734      3.76949646456391
  H   -1.73347307629041     -6.77193169968235      5.56998308809669
  H   -0.94503818729539     -6.04269106026716      4.16370611841627
  H   -3.64415013369503     -7.45076364677744      4.38647071017019
  H   -2.27728337153084     -7.88658402099610      3.32439883630153
  H   -6.80068857147788     -6.77825159559963      2.68852611366433
  H   -5.78570443262751     -7.39733986268017      3.99511873690875
  H   -4.97540868707103     -6.23085090971041      1.28553737777684
  H   -4.57964005881409     -7.85135663180287      1.92612765502114
  H   -2.15272615110536     -4.08227456194049      0.44024381606277
  H   -3.78445051380003     -4.73109969573801      0.23300110572482
  H   -1.55826466653570     -5.59591778755908      2.13631103870693
  H   -2.38479672222096     -6.59875674293818      0.91205722200765
  C   -3.85052306868980     -1.91667087794239      0.13723466514381
  C   -3.54271819995557     -2.15456074620232      1.61797102702618
  C   -2.25326062536377     -1.41045787386704      2.08699895809705
  C   -0.96549385991569     -2.05339893106522      1.66131308967658
  C   -0.36481477890849     -3.02778397976084      2.47536823816311
  C   0.79103184382938     -3.69019745513997      2.06945648421096
  C   1.38922134420931     -3.39299722425013      0.83680545683295
  C   2.63136269978419     -4.09569339248706      0.40402729469497
  Cl  4.13883030308348     -3.23569272409131      0.99659072936332
  C   0.80690916004714     -2.40629563246582      0.02898154700842
  C   -0.35161021754913     -1.74690283177844      0.43668470235357
  C   -7.92030469106334     -5.67499755786692      5.04865015765398
  C   -7.06033853279559     -4.70203388619846      4.23783909979919
  C   -7.84013972771259     -4.10186816148994      3.03619702241920
  C   -8.97041919060553     -3.21141495246457      3.47206685875263
  C   -10.31118319546652     -3.59239444565626      3.32428016344136
  C   -11.34525043803954     -2.76970981572124      3.76967030660770
  C   -11.06362966787564     -1.54090917659607      4.38029009954675
  C   -12.16627276268650     -0.66252418059851      4.86573023294667
  Cl  -12.61827433824609     -1.03957621902974      6.60474449718225
  C   -9.72333834458377     -1.15583971888169      4.53022916742129
  C   -8.69135747948668     -1.97643372140281      4.08227332655001
  C   -0.58245286961482     -4.40859575483423      6.41475922016604
  C   -2.07007108652892     -4.18386708179341      6.12948431405847
  C   -2.95883026969809     -4.45683621476215      7.38697285643847
  C   -3.23407972163463     -5.91220725437335      7.62420251105732
  C   -2.36070068007265     -6.73013442333427      8.35736282112164
  C   -2.57600152022032     -8.10479607240528      8.45182465911351
  C   -3.68005286855882     -8.69923502547268      7.82533763752413
  C   -3.88269447281380    -10.17474267434095      7.87652156918601
  Cl  -3.15227780553195    -10.99385717682047      6.40248651972060
  C   -4.58182634598936     -7.87950701816495      7.13281630558505
  C   -4.36153554633280     -6.50836298105837      7.03592882930395
  H   -4.76981741397343     -2.44472791227876     -0.15476644427224
  H   -4.00721424157326     -0.84272095124605     -0.03787143571630
  H   -3.03889252228337     -2.24823221087956     -0.52584605748755
  H   -4.35817427854977     -1.69335566281059      2.19495796345726
  H   -2.30548273784894     -0.37306177601646      1.71945847991663
  H   -2.29205432197797     -1.37568399380164      3.18596957765250
  H   -0.83063837052015     -3.27898466291957      3.43032417043880
  H   1.24334387357021     -4.44535487418434      2.71782263848174
  H   2.73189291942829     -4.12865685020768     -0.68620575065722
  H   2.70157926210012     -5.10809192376125      0.81651837893343
  H   1.27180322817245     -2.15183639409323     -0.92645872347856
  H   -0.79190585429791     -0.98060206350124     -0.20520430007758
  H   -8.81408152541677     -5.15816664915746      5.42484219559444
  H   -8.26032534739802     -6.52903298575361      4.44395967857554
  H   -7.36073449013854     -6.06280009280578      5.91185910170938
  H   -6.80747643081262     -3.85661355039721      4.89401252421978
  H   -7.11238232279411     -3.52114328092699      2.44778675023960
  H   -8.22065749851452     -4.91186238136565      2.39297363245668
  H   -10.54603550462216     -4.54806201365020      2.84920102074372
  H   -12.38467132357073     -3.08303126973731      3.64544749901402
  H   -11.88434859594039      0.39585797062552      4.86959032285078
  H   -13.09163977853307     -0.80181920378599      4.29652036303380
  H   -9.48970938037844     -0.19937259962155      5.00428476756745
  H   -7.65163113986258     -1.66097809048290      4.21029434367671
  H   -0.25809004066132     -3.73592781982432      7.22121112675772
  H   0.02649449500978     -4.18803504503840      5.52617733782453
  H   -0.36581948076705     -5.43845701935031      6.73029177077645
  H   -2.19743159714447     -3.11120876759666      5.91488851032136
  H   -3.91249150320499     -3.93317168624694      7.22425766178962
  H   -2.46983037342380     -4.00086613650334      8.26253758494819
  H   -1.49529090118396     -6.28533308817215      8.85386876443705
  H   -1.87597398884087     -8.72925334843185      9.01192865760574
  H   -4.94127548407823    -10.45534967695136      7.85764689186968
  H   -3.38585896190592    -10.63763580901503      8.73565963660077
  H   -5.45893105475551     -8.32527381294577      6.65652692857144
  H   -5.05960145100855     -5.88290573031832      6.47663727166757
  N   -4.55771008704339     -2.77689096761335      4.54756857495727
  N   -5.05248981603977     -1.71664461118098      4.99892346808012
  H   -4.42804752891332     -1.26337206124692      5.68848342963254
