KEGG:C07246  Sertraline
  ISISHOST03240423162D 1   1.00000     0.00000  6296
 20 22  0     1  0            999 V2000
   -0.3241    0.5207    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3931    0.1000    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.3207    1.3483    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0345    0.1034    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3897   -0.7276    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1138    0.5138    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4000    1.7586    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.0345    1.7621    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7552    0.5207    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3276   -1.1345    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1103   -1.1414    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1172    1.3448    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4034    2.5897    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.7552    1.3483    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3310   -1.9655    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1069   -1.9724    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1241    3.0035    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3862   -2.3828    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0517   -2.3793    0.0000 Cl  0  0  0  0  0  0           0  0  0
    0.3828   -3.2138    0.0000 Cl  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  1     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
  5 10  2  0     0  0
  5 11  1  0     0  0
  6 12  1  0     0  0
  7 13  1  1     0  0
  8 14  1  0     0  0
 10 15  1  0     0  0
 11 16  2  0     0  0
 13 17  1  0     0  0
 15 18  2  0     0  0
 15 19  1  0     0  0
 18 20  1  0     0  0
  7 12  1  0     0  0
  9 14  2  0     0  0
 16 18  1  0     0  0
M  END