116
Coordinates from ORCA-job orca
  N   -2.62243139715844     -3.25827050858404      2.20107887025273
  C   -2.38760134235424     -4.20203192002318      1.10653955980026
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  N   -6.19756700029086     -4.83289333910841      3.20091940092834
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  N   -3.32208283141884     -5.01466721412624      4.83023625221367
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  N   -5.74182958388508     -2.33550911460284      1.00399356914928
