78
Coordinates from ORCA-job /scratch/magstr/orcajob__5670594-4Xsd/orca
  N   -3.33538598928298     -3.67623272675068      3.07894000543443
  C   -2.70671995489365     -4.43247493709930      1.98964472568443
  C   -2.31384390081333     -5.81205041809050      2.47062431966665
  N   -3.39577249490096     -6.38981613295398      3.31671076888453
  C   -4.61877453900263     -6.68515544318757      2.50245082243786
  C   -5.85369769617920     -6.39877428928206      3.33345069511924
  N   -5.65891137991503     -5.14915837555989      4.07253193979440
  Mo  -3.80779575804581     -4.77136444709756      4.83445445829232
  N   -2.59500119122944     -6.20823137988097      5.86032290793259
  C   -1.95858748108323     -7.26541586566520      5.07728997422337
  C   -2.92652737712584     -7.63489481546188      3.98305402662384
  H   -1.76633183540306     -8.14745240920249      5.70747605502683
  H   -0.98272205501791     -6.94983852174836      4.66457662700721
  H   -3.80807843852818     -8.12278288154105      4.42030826632596
  H   -2.47778380831136     -8.31417010043409      3.24012209712408
  H   -6.74101019652558     -6.34990044806298      2.68366596455040
  H   -6.03800799072233     -7.21689620839051      4.05426665999331
  H   -4.60590533020247     -6.03971115567035      1.61707534002882
  H   -4.58348110578276     -7.72837439534252      2.15299941834101
  H   -1.80082430954094     -3.92012451891724      1.62419570490048
  H   -3.39125198867568     -4.50065314139752      1.12638699661620
  H   -1.40631000746600     -5.75412883847325      3.08457359117958
  H   -2.10288703548042     -6.47738704182261      1.61682634260720
  C   -3.77023337274135     -2.43277950968611      2.76189479259165
  C   -3.60001115216965     -1.89584043255020      1.45260733753198
  C   -4.12978579776064     -0.67782263659279      1.07142487511084
  Cl  -3.82226074461384     -0.17134833683424     -0.54643488830945
  C   -4.86910059173153      0.14765701985107      1.97587172819770
  C   -5.59133669812602      1.37738007125305      1.58936809977672
  O   -5.90014234626064      1.68297337746968      0.44389232240150
  C   -5.97149995261166      2.41633123311464      2.66342578657512
  O   -5.38556085836300      2.58418724323822      3.71229658660329
  C   -4.96278703349840     -0.31744770788905      3.27751885205146
  C   -4.45025299070832     -1.56356084592264      3.70651133816406
  C   -4.70574775882278     -1.87773221704855      5.05454649529655
  O   -4.47165403650742     -2.98346296797538      5.64266178336245
  C   -6.71087867068563     -4.21908217398975      4.10663986999509
  C   -7.25635190158540     -3.85905274073564      5.35101262771506
  C   -8.21012522723140     -2.85408381986885      5.46384161429013
  Cl  -8.76577270682343     -2.46127682071820      7.05373373994754
  C   -8.65843649517929     -2.14399341060874      4.32516048470173
  C   -9.62174908080931     -1.02039356696863      4.36834858717990
  O   -10.54253154069168     -0.89119881725754      5.16258284095309
  C   -9.39051101615210      0.17214161208799      3.41925779216545
  O   -8.28741682157903      0.51687413246219      3.04628148103376
  C   -8.14251769256553     -2.53235320074698      3.08701187997091
  C   -7.20384421343218     -3.55814307950516      2.94279141004756
  C   -6.66056913956615     -3.79004415889603      1.59137068677908
  O   -7.08601845284501     -3.26112659134750      0.57522500367937
  C   -2.14081589484096     -6.02086798420836      7.12322263343592
  C   -0.87409076992163     -6.49417786622182      7.55693223996255
  C   -0.40675389223567     -6.24621856967929      8.83703931918112
  Cl  1.20418080475753     -6.75417739993455      9.18581031175924
  C   -1.18761796444755     -5.55122344178179      9.81002471549799
  C   -0.75554061564735     -5.31527707049158     11.20264600864228
  O   0.07098735735448     -5.98283573884873     11.81326520826655
  C   -1.32186927857402     -4.09903516761845     11.96509390577613
  O   -1.85693972433678     -3.13950093773614     11.45140214254694
  C   -2.46309383254631     -5.15315734170278      9.41091160780765
  C   -2.95570659041521     -5.36523297532787      8.11449239438277
  C   -4.34780689310667     -5.17903676975146      7.86719096621054
  O   -4.89244432407178     -5.25967482336131      6.74055123917694
  H   -3.05264872381661     -2.44923991282654      0.69553201101885
  H   -6.78645169907810      3.08774624537718      2.30504809222304
  H   -5.50304692180728      0.27738646178955      4.01192219539812
  H   -5.18078336676364     -1.10223543651999      5.67486130274977
  H   -6.90010235796929     -4.36790487321788      6.24322373724502
  H   -10.31200885878468      0.77213290398285      3.23657196819353
  H   -8.45223107647380     -2.01346565004013      2.17795499791228
  H   -5.78827442014755     -4.47761190042579      1.53325407876037
  H   -0.21252017066821     -7.00892315000007      6.86321696403729
  H   -1.09437855002245     -4.16039142655592     13.05594223005814
  H   -3.12893464860232     -4.68779430369210     10.13750213986788
  H   -5.00412660845446     -5.01841729154178      8.74207736307608
  N   -1.84488766988042     -3.60375647434534      5.46062564157350
  H   -1.88007884058017     -3.31184432945684      6.44280002324011
  H   -1.76260309789856     -2.75230746901953      4.89856562693622
  H   -0.97240721382936     -4.12603346914493      5.34256909945476
