Amb2446494
 OpenBabel05062517532D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5032   -0.9479    0.0000 C   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
    0.8090   -0.5878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.5388    0.0000 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7601   -0.2788    0.0000 I   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  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Supplier>
www.ambinter.com

>  <Ambinter_reference>
Amb2446494

>  <MW>
266.036

$$$$