KEGG:C09991  Valerianine
  ISISHOST03240423242D 1   1.00000     0.00000  9033
 13 14  0     1  0            999 V2000
    9.5966   -8.8736    0.0000 C   0  0  0  0  0  0           0  0  0
   10.3069   -9.2943    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8759   -9.2908    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7724   -8.0667    0.0000 C   0  0  0  0  0  0           0  0  0
   10.9207   -8.7460    0.0000 C   0  0  2  0  0  0           0  0  0
   10.3103  -10.1184    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8759  -10.1184    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1552   -8.8736    0.0000 C   0  0  0  0  0  0           0  0  0
   10.5931   -7.9874    0.0000 C   0  0  0  0  0  0           0  0  0
   11.6379   -9.1598    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5966  -10.5322    0.0000 N   0  0  0  0  0  0           0  0  0
    8.1561   -8.0486    0.0000 O   0  0  0  0  0  0           0  0  0
    8.8711   -7.6369    0.0000 C   0  0  0  0  0  0           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  1  6     0  0
  6 11  2  0     0  0
  5  9  1  0     0  0
  7 11  1  0     0  0
  8 12  1  0     0  0
  1  2  2  0     0  0
 12 13  1  0     0  0
M  END