78
Coordinates from ORCA-job /scratch/magstr/orcajob__5668051-1M52/orca
  N   -2.43200235882463     -3.42227144822497      3.07131091395128
  C   -1.31188273385079     -4.34917186317240      2.85177349205176
  C   -1.64922083248709     -5.72483470149204      3.39778634474706
  N   -3.11626469055608     -5.86611888672089      3.38688263063832
  C   -3.69990866873698     -5.82493703744547      2.01806967435515
  C   -5.17500854505114     -5.49243260729708      2.15352542180875
  N   -5.33271612592556     -4.59284814504078      3.30072643513356
  Mo  -3.84394210121876     -4.04097862112588      4.49339003521976
  N   -3.55314881476731     -5.53337608395468      5.91402314999478
  C   -3.32338933836539     -6.93744310990444      5.55390432975761
  C   -3.56797761221142     -7.09319560714960      4.07810296280430
  H   -3.99840493333936     -7.62049005643878      6.09109858328745
  H   -2.29663644569400     -7.23174292093725      5.83825844997800
  H   -4.64236958202660     -7.19943010232838      3.88721044723747
  H   -3.05080598825825     -7.97253695584421      3.65991857465795
  H   -5.54183379448571     -5.02510141323215      1.22351849135412
  H   -5.79550995014672     -6.39440505227488      2.30942474495843
  H   -3.18922525052642     -5.04368987372709      1.44856236027437
  H   -3.54006220592287     -6.79156351896440      1.51360252009338
  H   -0.39169364319041     -3.97177492420313      3.32704249528891
  H   -1.10762295707184     -4.42354237345555      1.77174457988454
  H   -1.31872496358390     -5.83699024072377      4.43683197818842
  H   -1.17571920564294     -6.51715492135922      2.79222595235673
  C   -2.32595733638067     -2.24205230512306      2.39119444327780
  C   -1.22553481399977     -1.95428363967764      1.54751027435492
  C   -1.19234569443662     -0.83521848079357      0.71399450753552
  C   0.00718692591516     -0.66408824938202     -0.11446791745291
  O   0.97853177226380     -1.41944225433437     -0.12592367410399
  C   0.04587995308564      0.51083508807720     -1.09857914568498
  O   -0.75710688959034      0.78342659199599     -1.93902847399813
  F   1.21967976020029      1.19889374831151     -0.99501009974335
  C   -2.26454763779110      0.10033931204069      0.71739602893287
  C   -3.29527974488251     -0.08930586446410      1.59942280033736
  C   -3.34254107732778     -1.21265213183436      2.47612921202946
  C   -4.32177018208891     -1.22419466108939      3.46853620966132
  O   -4.43531277864864     -2.12327791435358      4.39006386687286
  C   -6.67787180590778     -4.19904356811295      3.53403171203897
  C   -7.39180106969275     -4.85321178236980      4.53756410341157
  C   -8.68769478516511     -4.45042652447730      4.89552461896179
  C   -9.43456767064805     -5.06735791490032      6.01012621870376
  O   -10.65604596178704     -4.96481142396121      6.14947587150499
  C   -8.62571831231869     -5.78711086075565      7.08342826460784
  O   -7.44495417962075     -5.70969060693200      7.32218321034880
  F   -9.42398395455699     -6.54365391085321      7.87763388557251
  C   -9.30635357791046     -3.41364020211175      4.16040944607145
  C   -8.61871791226098     -2.78232851413966      3.14002777088357
  C   -7.29698698907591     -3.14882643475954      2.80839983868265
  C   -6.58810256833464     -2.43571228900110      1.73286305603129
  O   -7.07010621988945     -1.51399535365843      1.08005700719832
  C   -3.49025342481145     -5.30861510879190      7.29679387360780
  C   -4.07810146006428     -6.19756726118891      8.20312458418980
  C   -3.97265266093943     -6.03040696900456      9.59572118274576
  C   -4.62954957864453     -6.91029676748309     10.57395856787219
  O   -4.64049378528903     -6.67288933833875     11.78898873591182
  C   -5.30040133706991     -8.18816138040470     10.08144536699749
  O   -5.12360868326307     -8.80344287632786      9.06448872075441
  F   -6.16858491092465     -8.66665239415321     11.01840600832039
  C   -3.23362405117614     -4.93001290860760     10.10418221606574
  C   -2.63751383528914     -4.04811001884123      9.23448865269757
  C   -2.75886302064510     -4.19028450317345      7.82577410037465
  C   -2.10511691186324     -3.24101752481480      6.99148275267817
  O   -2.26034310389967     -3.11352766376140      5.74123094997393
  H   -0.35502275682584     -2.60439001344550      1.50628557385597
  H   -2.25817783089280      0.96035670134874      0.05006026387699
  H   -4.10833329387271      0.63676439852589      1.66254918760792
  H   -5.02455023846722     -0.38363741622288      3.54124234117609
  H   -6.90257281711236     -5.67371306689667      5.05985271812623
  H   -10.31993905733584     -3.11462127107396      4.42889467823217
  H   -9.07566050038052     -1.96809513737989      2.57469032119096
  H   -5.55042534479883     -2.78670458881884      1.53061351436737
  H   -4.65996872605011     -7.03348122546569      7.82697490558920
  H   -3.15515336703322     -4.80805540780559     11.18399238329832
  H   -2.05992894331696     -3.20296664534053      9.61722689364444
  H   -1.39804672810502     -2.54706092393289      7.48157819155107
  N   -5.31935087798979     -3.55061028893205      6.19593798326721
  H   -4.83089944283455     -3.10542165545343      6.97838020164994
  H   -5.85810415953599     -4.33474942157506      6.58323396882795
  H   -5.97827865883322     -2.86468071096253      5.82152855748893
