KEGG:C08269  (-)-Betonicine
  ISISHOST03240423192D 1   1.00000     0.00000  7312
 11 11  0     0  0            999 V2000
   -0.2241    0.1241    0.0000 C   0  0  1  0  0  0           0  0  0
    0.0345   -0.6621    0.0000 N   0  3  3  0  0  0           0  0  0
    0.4448    0.6103    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9310    0.5448    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8586   -0.6621    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7931   -0.6586    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2448   -1.4552    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1138    0.1241    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.9345    1.3690    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.6448    0.1310    0.0000 O   0  5  0  0  0  0           0  0  0
    1.8276    0.5414    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  6     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  2  7  1  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
  4 10  1  0     0  0
  8 11  1  1     0  0
  5  8  1  0     0  0
M  CHG  2   2   1  10  -1
M  END