-ISIS-  08251613452D

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    0.4333    2.2583    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4292   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    3.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4375    2.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4333   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  1  1  0  0  0  0
  6 13  1  0  0  0  0
  7  2  1  0  0  0  0
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  4 10  1  0  0  0  0
M  END