KEGG:C01481  Caffeate
  ISISHOST03240423042D 1   1.00000     0.00000  1362
 13 13  0     0  0            999 V2000
   -0.5000    0.3483    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1586   -0.0241    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1517   -0.0241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5034    1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1586   -0.7828    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1517   -0.7828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1448    1.4759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5000   -1.1655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8069   -1.1586    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7966    1.1035    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5034   -1.9172    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8000    0.3517    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4448    1.4793    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
  4  7  2  0     0  0
  5  8  2  0     0  0
  5  9  1  0     0  0
  7 10  1  0     0  0
  8 11  1  0     0  0
 10 12  1  0     0  0
 10 13  2  0     0  0
  6  8  1  0     0  0
M  END