KEGG:C00378  Thiamin
  ISISHOST03240423022D 1   1.00000     0.00000   367
 18 19  0     0  0            999 V2000
    0.3172    0.3759    0.0000 N   0  3  0  0  0  0           0  0  0
    0.9000   -0.2138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4000    0.7862    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6966    1.1103    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6345    0.1586    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7690   -1.0276    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1138    0.3690    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5103    0.9759    0.0000 S   0  0  0  0  0  0           0  0  0
    2.3690   -0.2172    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1138   -0.4586    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8379    0.7828    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0621    0.2276    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8379   -0.8828    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.4000   -0.8759    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.5483    0.3690    0.0000 N   0  0  0  0  0  0           0  0  0
    3.7966   -0.1483    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.5483   -0.4586    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.2621   -0.8724    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  2  0     0  0
  7 11  1  0     0  0
  9 12  1  0     0  0
 10 13  1  0     0  0
 10 14  1  0     0  0
 11 15  2  0     0  0
 12 16  1  0     0  0
 13 17  2  0     0  0
 17 18  1  0     0  0
  5  8  1  0     0  0
 15 17  1  0     0  0
M  CHG  1   1   1
M  END