Amb8009508
 OpenBabel05062518392D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.5491   -2.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5491   -1.8090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6831   -1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6831   -0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8171    0.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8171    1.1910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511   -0.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511   -1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8171   -1.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6180    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878   -0.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 N   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  9  2  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
  5  7  1  0  0  0  0
  7 12  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
 11 12  2  0  0  0  0
M  END
>  <Supplier>
www.ambinter.com

>  <Ambinter_reference>
Amb8009508

>  <MW>
180.227

$$$$