KEGG:C08265  Alliin
  ISISHOST03240423192D 1   1.00000     0.00000  7308
 11 10  0     0  0            999 V2000
    0.5862   -0.1103    0.0000 S   0  0  3  0  0  0           0  0  0
   -0.1310    0.3000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3035    0.3034    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5828   -0.9379    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8448   -0.1138    0.0000 C   0  0  1  0  0  0           0  0  0
    2.0207   -0.1069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5586    0.2931    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8483   -0.9448    0.0000 N   0  0  0  0  0  0           0  0  0
    2.7345    0.3103    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2759   -0.1172    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.5655    1.1241    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
  2  5  1  0     0  0
  3  6  1  0     0  0
  5  7  1  0     0  0
  5  8  1  6     0  0
  6  9  2  0     0  0
  7 10  1  0     0  0
  7 11  2  0     0  0
M  END