81
Coordinates from ORCA-job /scratch/magstr/orcajob__5661774-i2QD/orca
  N   -2.61140843599717     -3.50273275768715      2.92845249358622
  C   -1.87725239901192     -4.27813032377695      1.93439952887649
  C   -2.06485215959247     -5.77253675758476      2.19453391585429
  N   -3.46674686117318     -6.04863760709540      2.56737125145628
  C   -4.32873715564800     -6.09900922400684      1.36544567978908
  C   -5.75999003166536     -5.72857535722806      1.74075666800450
  N   -5.74078522479228     -4.60261043011493      2.66810856668835
  Mo  -4.12607327634710     -4.44655114649200      3.84593220192218
  N   -3.85980908697612     -5.87119647822653      5.33488268407265
  C   -3.14274579667944     -7.02836512770860      4.81034139341036
  C   -3.57999474592943     -7.28184726121754      3.37093510004102
  H   -3.36208623241205     -7.94301702712075      5.38569141340339
  H   -2.04623621829364     -6.87579452656138      4.84983909388926
  H   -4.63869672559176     -7.56583526892330      3.39007004034671
  H   -2.99435670128701     -8.10288131983369      2.93277091763013
  H   -6.31777287412328     -5.47414434147741      0.82413211687013
  H   -6.26806172400604     -6.60274417714569      2.18947897331870
  H   -3.95520532338587     -5.34619004044847      0.66219991188522
  H   -4.28800484535334     -7.08705033796756      0.88650859367669
  H   -0.79856776546999     -4.05621799592430      1.96674847181315
  H   -2.22885632981657     -4.01852581219418      0.91683242709791
  H   -1.42869510367192     -6.05569072610905      3.04048911899888
  H   -1.76193702956627     -6.36125302449461      1.31759832824541
  C   -5.70763446801401     -0.29958202504098      1.33036153230080
  C   -4.28373868920840     -0.84638924192490      1.33253215336972
  N   -3.98875240642838     -1.55444876133274      2.58044785022201
  C   -2.59965249863584     -2.06655977696844      2.66415984003054
  C   -1.83106191366968     -1.22838034245639      3.73190288463325
  C   -0.33043179265659     -1.20202328250119      3.49614732080996
  F   0.18976544647354     -2.50004365766296      3.59466447118471
  C   -7.52787143204096     -0.68100523088318      4.57952511570736
  C   -7.99555076568340     -2.04360745234882      4.07454609734745
  N   -6.87767238653664     -2.74265168792663      3.46210449988425
  C   -7.05570621096396     -4.11892903722522      3.02672675188954
  C   -7.68757445351948     -5.04878628684695      4.12848539660670
  C   -6.74287282733042     -4.98306196063659      5.29859991445610
  F   -6.61687053385578     -6.19189168712549      5.97695518119908
  C   -0.46412010091246     -3.56900657638656      7.61061681132033
  C   -0.88519471091372     -4.37550570266788      6.37867186865625
  N   -2.32564860033735     -4.23431906363996      6.09323789286795
  C   -3.28578464549285     -5.29813016706676      6.53309058930449
  C   -2.75106151171681     -6.29316316977946      7.57304993183572
  C   -3.90861227962395     -7.07165985319361      8.18713098906176
  F   -3.41156864044456     -8.11999361929588      8.94963057147878
  H   -5.95297956569573      0.09318072184229      0.34081142182214
  H   -5.80947225102857      0.50683845767071      2.06362318289683
  H   -6.41133974806200     -1.09238928158233      1.59637289523867
  H   -3.56938477432347     -0.01694907608898      1.22982422640265
  H   -4.14533383389371     -1.50789547788865      0.45475773889223
  H   -4.57626818236919     -2.39494646634488      2.60438998116738
  H   -2.08037868506718     -1.87576701630682      1.70459561594932
  H   -2.01935084634007     -1.64248039668978      4.72338703621236
  H   -2.21007640104680     -0.20111095463607      3.70092298680777
  H   -0.08202258587972     -0.84435401612820      2.48825290382265
  H   0.18960772878042     -0.60274699922173      4.25395579138283
  H   -7.13652801795295     -0.08050305502050      3.75186576502319
  H   -6.72992219466124     -0.80856071599599      5.31988082315493
  H   -8.35923280833213     -0.14778531106033      5.04535190730628
  H   -8.78884358730938     -1.91162246629553      3.32469087031612
  H   -8.43973281638989     -2.59608756102141      4.92468013597733
  H   -6.09405031255131     -2.75458688215086      4.11159911861383
  H   -7.73177155077478     -4.12556811958674      2.15069010764355
  H   -8.70888011899662     -4.73274735722135      4.35947777905342
  H   -7.72708447107354     -6.07723076134396      3.75361205951123
  H   -5.74007639112664     -4.78071115145765      4.80146944561842
  H   -6.99858418998149     -4.23618562528460      6.06338707421230
  H   -0.73752134269724     -2.51655131078005      7.48373453250447
  H   0.61785066030511     -3.63962225154220      7.74404998401222
  H   -0.95490040564893     -3.94003765070036      8.51429760321962
  H   -0.34380623056079     -3.98982671117274      5.50593258103384
  H   -0.57817633053681     -5.42522404550130      6.51126060145110
  H   -2.49770384287825     -4.29265687338809      5.06125730884320
  H   -4.11618845267241     -4.77242996140001      7.06029248137037
  H   -2.05013544808424     -7.00765146732344      7.12982217661270
  H   -2.22741084366460     -5.74369642783766      8.36174666860641
  H   -4.50947403769322     -6.43865867447084      8.85489299438815
  H   -4.55805949467390     -7.50277734339271      7.41310241143845
  N   -3.74498886515910     -3.04179123034505      5.44469448481137
  H   -2.77570995812794     -2.78029290361464      5.49619523674121
  H   -4.00393863179637     -3.41301678231814      6.35422819467667
  H   -4.27527170373336     -2.15508020214965      5.35504131822100
