KEGG:C02892  Thiamin acetic acid
  ISISHOST03240423072D 1   1.00000     0.00000  2554
 19 20  0     0  0            999 V2000
    0.1862    0.4517    0.0000 N   0  3  0  0  0  0           0  0  0
    0.9379    0.7897    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5310    0.8655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2690   -0.3690    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4897    0.1759    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1069    1.5966    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2448    0.4517    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0759   -0.5379    0.0000 S   0  0  0  0  0  0           0  0  0
    2.3103    0.2621    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2448   -0.3828    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9586    0.8655    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7931   -0.4034    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9586   -0.7931    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.5310   -0.7931    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.6793    0.4517    0.0000 N   0  0  0  0  0  0           0  0  0
    2.4552   -1.1552    0.0000 O   0  0  0  0  0  0           0  0  0
    3.6138   -0.3172    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.6793   -0.3828    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.3931   -0.7966    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  7 10  1  0     0  0
  7 11  2  0     0  0
  9 12  1  0     0  0
 10 13  2  0     0  0
 10 14  1  0     0  0
 11 15  1  0     0  0
 12 16  1  0     0  0
 12 17  2  0     0  0
 13 18  1  0     0  0
 18 19  1  0     0  0
  5  8  1  0     0  0
 15 18  2  0     0  0
M  CHG  1   1   1
M  END