KEGG:C08275  L-Djenkolic acid
  ISISHOST03240423192D 1   1.00000     0.00000  7318
 15 14  0     0  0            999 V2000
   -2.1483   -0.1966    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.4310    0.2138    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8621    0.2103    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1517   -1.0276    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.7172   -0.1931    0.0000 S   0  0  0  0  0  0           0  0  0
   -3.5793   -0.2034    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.8655    1.0414    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0000    0.2172    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7172   -0.1897    0.0000 S   0  0  0  0  0  0           0  0  0
    1.4345    0.2241    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1517   -0.1862    0.0000 C   0  0  1  0  0  0           0  0  0
    2.8621    0.2276    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1483   -1.0138    0.0000 N   0  0  0  0  0  0           0  0  0
    3.5793   -0.1828    0.0000 O   0  0  0  0  0  0           0  0  0
    2.8586    1.0552    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  1  6     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  2  0     0  0
  5  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 11 13  1  1     0  0
 12 14  1  0     0  0
 12 15  2  0     0  0
M  END