77
Coordinates from ORCA-job orca
  N   -3.14423083726585     -4.13054418671732      1.81556210853546
  C   -3.49039616477268     -5.02438432483380      0.71412542327980
  C   -3.81203063151580     -6.38968503823968      1.29179957649615
  N   -3.02995221716475     -6.56863349008997      2.54332475883224
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  N   -4.73681519582693     -6.21008134996696      4.38231630058113
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  N   -1.71152608518847     -5.38506073143134      4.43527323571449
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  C   -6.85530401524487     -6.76286667594988      5.55962662312012
  C   -8.12428960417767     -6.30902527290917      5.88676126272596
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  C   -7.71199256110369     -4.17580806091866      4.79853198274986
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  N   -5.46940269929542     -3.88464996885881      3.76554860259410
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  C   -5.58719544507247     -2.01197340188091      2.22363539512010
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  Cl  -6.49787496819384     -3.89977567911696      8.61694761140190
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  H   -7.44370770756488     -5.34745673833295      2.10641968426546
  N   0.78033755073693     -3.98289860723601      1.12618771108964
  N   1.33248924367449     -3.10590672674048      0.75040839309107
