79
Coordinates from ORCA-job /scratch/magstr/orcajob__5670599-BlXD/orca
  N   -3.62512500000000     -3.70279100000000      3.28906200000000
  C   -3.31991500000000     -4.35367500000000      2.01784500000000
  C   -2.67160800000000     -5.70116500000000      2.31906900000000
  N   -3.46181600000000     -6.40424200000000      3.35881500000000
  C   -4.68854800000000     -6.99146100000000      2.75522500000000
  C   -5.87417200000000     -6.60753100000000      3.64486000000000
  N   -5.67903000000000     -5.24139600000000      4.07951400000000
  Mo  -3.87552500000000     -4.86672000000000      4.86084200000000
  N   -2.45995100000000     -5.97936500000000      5.75082800000000
  C   -1.66907900000000     -6.90108200000000      4.94902500000000
  C   -2.64678600000000     -7.49588400000000      3.94134900000000
  H   -1.25868900000000     -7.70590300000000      5.56777700000000
  H   -0.83368400000000     -6.39143700000000      4.45248800000000
  H   -3.32181400000000     -8.17092300000000      4.47998200000000
  H   -2.12438700000000     -8.05520300000000      3.15741400000000
  H   -6.82741800000000     -6.74892200000000      3.12826900000000
  H   -5.88290500000000     -7.23408400000000      4.55045600000000
  H   -4.82676300000000     -6.59360500000000      1.74757700000000
  H   -4.60375900000000     -8.07737000000000      2.66818000000000
  H   -2.62747900000000     -3.74342100000000      1.42815000000000
  H   -4.24142800000000     -4.48209400000000      1.43352300000000
  H   -1.66028300000000     -5.52846000000000      2.69953600000000
  H   -2.59947300000000     -6.30751200000000      1.40920700000000
  C   -4.06522600000000     -2.42395300000000      3.22389800000000
  C   -4.42081400000000     -1.80568800000000      2.00373100000000
  C   -4.85951900000000     -0.50641000000000      1.93020000000000
  Cl  -5.33131300000000      0.11321400000000      0.39703900000000
  C   -4.89669200000000      0.32495200000000      3.08477200000000
  C   -5.38348600000000      1.70746200000000      3.02501100000000
  O   -6.16135300000000      2.12531900000000      2.18117800000000
  C   -4.87659500000000      2.69482900000000      4.06432500000000
  O   -3.96267400000000      2.51804900000000      4.82421200000000
  C   -4.52007700000000     -0.24640000000000      4.28483800000000
  C   -4.16250900000000     -1.60118900000000      4.40878400000000
  C   -3.99246600000000     -2.10138800000000      5.71810900000000
  O   -3.96113600000000     -3.33261600000000      5.99133100000000
  C   -6.57426900000000     -4.26050900000000      3.81522600000000
  C   -6.72867600000000     -3.26028000000000      4.80171700000000
  C   -7.52351500000000     -2.15182200000000      4.63031900000000
  Cl  -7.57243800000000     -0.98168500000000      5.89190300000000
  C   -8.26810200000000     -1.97287600000000      3.44165600000000
  C   -9.06506500000000     -0.77519700000000      3.18996000000000
  O   -9.39457600000000      0.03726400000000      4.04324800000000
  C   -9.45826000000000     -0.46433500000000      1.75610700000000
  O   -8.84124700000000     -0.78473300000000      0.77591000000000
  C   -8.21599200000000     -3.01706000000000      2.51697500000000
  C   -7.39781800000000     -4.12910300000000      2.65342900000000
  C   -7.39340400000000     -5.02539100000000      1.48558500000000
  O   -8.32140400000000     -5.16420100000000      0.72588100000000
  C   -2.08356300000000     -5.78238900000000      7.03245900000000
  C   -0.75797000000000     -5.96701500000000      7.47325200000000
  C   -0.38404800000000     -5.71290100000000      8.77549700000000
  Cl  1.27747900000000     -5.87603800000000      9.18639200000000
  C   -1.32811600000000     -5.28498300000000      9.74477000000000
  C   -0.92561600000000     -4.97011200000000     11.12070800000000
  O   0.07154200000000     -5.40997000000000     11.67021900000000
  C   -1.78139500000000     -3.97896200000000     11.89322300000000
  O   -2.60355000000000     -3.24225300000000     11.41734700000000
  C   -2.65814300000000     -5.19834900000000      9.34462000000000
  C   -3.05712700000000     -5.43621700000000      8.02907900000000
  C   -4.44492000000000     -5.54090000000000      7.69571200000000
  O   -4.86805100000000     -5.63424900000000      6.53447900000000
  H   -4.39075000000000     -2.35024600000000      1.07693500000000
  H   -5.42760800000000      3.65037700000000      4.00894500000000
  H   -4.55791100000000      0.34003000000000      5.18785200000000
  H   -3.96333800000000     -1.39305200000000      6.54950300000000
  H   -6.26019100000000     -3.40822100000000      5.76592100000000
  H   -10.34556200000000      0.19196400000000      1.70755800000000
  H   -8.81463200000000     -2.96653800000000      1.62037900000000
  H   -6.44108600000000     -5.54147000000000      1.28414900000000
  H   0.01317300000000     -6.26168700000000      6.78179900000000
  H   -1.51446900000000     -3.96074600000000     12.96434700000000
  H   -3.41812400000000     -4.95310200000000     10.06845600000000
  H   -5.16374000000000     -5.59994600000000      8.52212600000000
  N   -1.98481800000000     -3.88747100000000      4.91739600000000
  N   -0.75475300000000     -3.25038600000000      4.95418900000000
  H   -0.56055100000000     -2.84067500000000      4.05080700000000
  H   -0.77256400000000     -2.52408400000000      5.65693000000000
  H   -0.03436300000000     -3.92193300000000      5.18165400000000
