Amb2689388
 OpenBabel05072510442D

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    1.7601   -0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9680    0.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8090   -0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8090   -0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7601   -0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382   -0.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691   -1.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9680    0.6994    0.0000 C   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
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Supplier>
www.ambinter.com

>  <Ambinter_reference>
Amb2689388

>  <MW>
198.282

$$$$