KEGG:C07481  Caffeine
  ISISHOST03240423172D 1   1.00000     0.00000  6527
 14 15  0     0  0            999 V2000
   -0.4448    0.3172    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4448   -0.5241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2655    0.7345    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2138    0.5724    0.0000 N   0  0  3  0  0  0           0  0  0
    0.2655   -0.9276    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.2138   -0.7793    0.0000 N   0  0  0  0  0  0           0  0  0
    0.9862    0.3000    0.0000 N   0  0  3  0  0  0           0  0  0
    0.2655    1.5483    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.6965   -0.1103    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4690    1.3552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9862   -0.4931    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2655   -1.7724    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7069    0.7034    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7241   -0.9069    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
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  2  0     0  0
  4  9  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  7 13  1  0     0  0
 11 14  2  0     0  0
  6  9  2  0     0  0
  7 11  1  0     0  0
M  END