KEGG:C08404  Glucocapparin
  ISISHOST03240423202D 1   1.00000     0.00000  7445
 20 20  0     0  0            999 V2000
   -0.4897   -0.2310    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.1793   -0.6276    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1966   -0.6310    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.5000    0.6276    0.0000 S   0  0  0  0  0  0           0  0  0
   -1.1793   -1.4241    0.0000 C   0  0  1  0  0  0           0  0  0
    0.1931   -1.4276    0.0000 C   0  0  2  0  0  0           0  0  0
    0.8793   -0.2379    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.4931    1.4172    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4931   -1.8207    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.8655   -1.8310    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8759   -1.8276    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1897    1.8207    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.1828    1.8172    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5000   -2.6138    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.5621   -1.4414    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8724    2.2207    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6172    1.6655    0.0000 S   0  0  3  0  0  0           0  0  0
    2.2621    2.3897    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9552    0.9759    0.0000 O   0  0  0  0  0  0           0  0  0
    2.3897    1.1793    0.0000 O   0  5  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  1     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  1  6     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  1  1     0  0
  6 11  1  1     0  0
  8 12  2  0     0  0
  8 13  1  0     0  0
  9 14  1  6     0  0
 10 15  1  0     0  0
 12 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 17 19  2  0     0  0
 17 20  1  0     0  0
  6  9  1  0     0  0
M  CHG  1  20  -1
M  END