KEGG:C07319  Sumatriptan
  ISISHOST03240423172D 1   1.00000     0.00000  6368
 20 21  0     0  0            999 V2000
    0.5655   -0.2724    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5690   -1.1035    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3552   -0.0172    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1483    0.1483    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3586   -1.3552    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.1517   -1.5138    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8414   -0.6828    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5414    0.7931    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8690   -0.2690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8655   -1.1000    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3310    1.0379    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5897    0.1414    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5138    1.8448    0.0000 N   0  0  3  0  0  0           0  0  0
   -2.3034   -0.2759    0.0000 S   0  0  3  0  0  0           0  0  0
    3.3034    2.0897    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9069    2.4069    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0172    0.1379    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.7172   -0.8690    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.8931   -0.8690    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.7345   -0.2793    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  6 10  1  0     0  0
  8 11  1  0     0  0
  9 12  1  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 13 15  1  0     0  0
 13 16  1  0     0  0
 14 17  1  0     0  0
 14 18  2  0     0  0
 14 19  2  0     0  0
 17 20  1  0     0  0
  5  7  1  0     0  0
  9 10  2  0     0  0
M  END