ChEBI
  CDK    2/12/10,15:28

 12 11  0  0  0  0  0  0  0  0999 V2000
   12.6541   -6.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -6.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -5.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2251   -6.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2251   -7.7907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5106   -6.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7962   -6.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0817   -6.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7962   -7.7907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -8.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -9.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6540   -7.7907    0.0000 R1  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  2  2  0  0  0  0 
  4  2  1  0  0  0  0 
  4  5  1  1  0  0  0 
  6  4  1  0  0  0  0 
  7  6  1  0  0  0  0 
  8  7  1  0  0  0  0 
  9  7  2  0  0  0  0 
  5 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
M  CHG  1   1  -1
M  CHG  1   8  -1
M  END