KEGG:C01616  Tauropine
  ISISHOST03240423042D 1   1.00000     0.00000  1480
 12 11  0     1  0            999 V2000
    1.6138   -0.2862    0.0000 S   0  0  3  0  0  0           0  0  0
    0.8621   -0.2897    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6103   -1.0345    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6000    0.4655    0.0000 O   0  0  0  0  0  0           0  0  0
    2.3552   -0.2828    0.0000 O   0  0  0  0  0  0           0  0  0
    0.2552   -0.7345    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7069   -0.3517    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.3862   -0.0621    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.3966    0.7414    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.0207   -0.4828    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7034    1.0931    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.0828    1.2207    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  1  5  2  0     0  0
  2  6  1  0     0  0
  6  7  1  0     0  0
  8  7  1  1     0  0
  8  9  1  0     0  0
  8 10  1  0     0  0
  9 11  1  0     0  0
  9 12  2  0     0  0
M  END