KEGG:C10169  Ruspolinone
  ISISHOST03240423242D 1   1.00000     0.00000  9211
 19 20  0     0  0            999 V2000
   -0.1414   -0.0345    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8586    0.3828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5690    0.3793    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1414   -0.8621    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5793   -0.0345    0.0000 C   0  0  0  0  0  0           0  0  0
    1.2862   -0.0379    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5655    1.2069    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8586   -1.2759    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5793   -0.8621    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2966    0.3828    0.0000 O   0  0  0  0  0  0           0  0  0
    2.0035    0.3724    0.0000 C   0  0  3  0  0  0           0  0  0
   -2.2966   -1.2759    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.0138   -0.0345    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2621    1.1586    0.0000 C   0  0  0  0  0  0           0  0  0
    2.6655   -0.1172    0.0000 N   0  0  0  0  0  0           0  0  0
   -3.0138   -0.8621    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0862    1.1552    0.0000 C   0  0  0  0  0  0           0  0  0
    3.3379    0.3690    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0000   -0.4552    0.0000 H   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
  3  6  1  0     0  0
  3  7  2  0     0  0
  4  8  2  0     0  0
  5  9  2  0     0  0
  5 10  1  0     0  0
  6 11  1  0     0  0
  9 12  1  0     0  0
 10 13  1  0     0  0
 11 14  1  0     0  0
 11 15  1  0     0  0
 12 16  1  0     0  0
 14 17  1  0     0  0
 15 18  1  0     0  0
  8  9  1  0     0  0
 17 18  1  0     0  0
 11 19  1  4     0  0
M  END