KEGG:C11458  Crotono-betaine
  ISISHOST03240423282D 1   1.00000     0.00000 11773
 10  9  0     0  0            999 V2000
   14.8792  -14.3042    0.0000 C   0  0  0  0  0  0           0  0  0
   15.5958  -13.8875    0.0000 C   0  0  0  0  0  0           0  0  0
   16.3125  -14.3000    0.0000 C   0  0  0  0  0  0           0  0  0
   17.0292  -13.8833    0.0000 C   0  0  0  0  0  0           0  0  0
   17.7458  -14.2958    0.0000 N   0  3  3  0  0  0           0  0  0
   18.4625  -13.8792    0.0000 C   0  0  0  0  0  0           0  0  0
   17.7476  -15.1250    0.0000 C   0  0  0  0  0  0           0  0  0
   18.4625  -14.7083    0.0000 C   0  0  0  0  0  0           0  0  0
   16.3143  -15.1292    0.0000 O   0  0  0  0  0  0           0  0  0
   14.1600  -13.8884    0.0000 C   0  0  0  0  0  0           0  0  0
  2  3  1  0     0  0
  5  6  1  0     0  0
  1  2  2  0     0  0
  5  7  1  0     0  0
  3  4  1  0     0  0
  5  8  1  0     0  0
  3  9  2  0     0  0
  4  5  1  0     0  0
  1 10  1  0     0  0
M  CHG  1   5   1
M  END