Amb6654979
 OpenBabel03292506072D

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   -4.5000    1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000    0.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0000   -1.0000    0.0000 O   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
   -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
    0.0000    2.0000    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
    0.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 Cl  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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 16  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Supplier>
www.ambinter.com

>  <Ambinter_reference>
Amb6654979

>  <MW>
292.782

$$$$