KEGG:C07480  Theobromine
  ISISHOST03240423172D 1   1.00000     0.00000  6526
 13 14  0     0  0            999 V2000
   -0.3103   -0.4724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3103    0.3690    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4000   -0.8759    0.0000 N   0  0  3  0  0  0           0  0  0
   -1.0793   -0.7276    0.0000 N   0  0  0  0  0  0           0  0  0
    0.4000    0.7862    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0793    0.6241    0.0000 N   0  0  3  0  0  0           0  0  0
    1.1207   -0.4414    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4000   -1.7207    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5621   -0.0586    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1207    0.3517    0.0000 N   0  0  0  0  0  0           0  0  0
    0.4000    1.6000    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3379    1.4103    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8586   -0.8552    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  1  0     0  0
  4  9  2  0     0  0
  5 10  1  0     0  0
  5 11  2  0     0  0
  6 12  1  0     0  0
  7 13  2  0     0  0
  6  9  1  0     0  0
  7 10  1  0     0  0
M  END