KEGG:C00944  3-Dehydroquinate
  ISISHOST03240423032D 1   1.00000     0.00000   897
 13 13  0     1  0            999 V2000
    0.4379   -0.2310    0.0000 C   0  0  1  0  0  0           0  0  0
    1.1517   -0.4655    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2207   -0.6172    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4379    0.5241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4138   -1.1828    0.0000 O   0  0  0  0  0  0           0  0  0
    1.3035   -1.2000    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7069    0.0379    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8690   -0.2345    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.2241    0.8966    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8690    0.5241    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.5207   -0.6034    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2241    1.6483    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.5207    0.9000    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  1     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  6     0  0
  2  6  1  0     0  0
  2  7  2  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  8 10  1  0     0  0
  8 11  1  1     0  0
  9 12  2  0     0  0
 10 13  1  6     0  0
  9 10  1  0     0  0
M  END