KEGG:C09314  Trioxsalen
  ISISHOST03240423222D 1   1.00000     0.00000  8356
 17 19  0     0  0            999 V2000
    0.4966   -0.3621    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5000    0.4655    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2138   -0.7793    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2138   -0.7828    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2138    0.8793    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2207    0.8759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9345   -0.3655    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2138   -1.6069    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9345   -0.3724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9310    0.4621    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9379    0.4552    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2241    1.7035    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7241   -0.6172    0.0000 O   0  0  0  0  0  0           0  0  0
    2.6483   -0.7897    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.7172    0.7207    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2034    0.0552    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.0310    0.0586    0.0000 C   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  2  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  2  0     0  0
  6 11  2  0     0  0
  6 12  1  0     0  0
  7 13  1  0     0  0
  9 14  2  0     0  0
 10 15  1  0     0  0
 13 16  1  0     0  0
 16 17  1  0     0  0
  7 10  1  0     0  0
  9 11  1  0     0  0
 15 16  2  0     0  0
M  END