Amb10601555
 OpenBabel04142511272D

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    1.8171    0.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1261   -0.7601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9049    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4049   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
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  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 13  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  8  9  2  0  0  0  0
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 14 15  3  0  0  0  0
M  END
>  <Supplier>
www.ambinter.com

>  <Ambinter_reference>
Amb10601555

>  <MW>
199.205

$$$$