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    0.7168   -1.5581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4294   -2.7956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1442   -3.2081    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    2.1421   -1.5581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
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M  END