KEGG:C01365  X-Trp
  ISISHOST03240423042D 1   1.00000     0.00000  1272
 16 17  0     1  0            999 V2000
    0.9172    0.1828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1103    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3310   -0.5448    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3172    0.9138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5103    0.5276    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0517   -0.8241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8138   -1.1414    0.0000 N   0  0  0  0  0  0           0  0  0
    2.1690   -0.5276    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1517    0.9241    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2276    0.1276    0.0000 C   0  0  1  0  0  0           0  0  0
    2.5862    0.2034    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9379    0.5276    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2276   -0.7034    0.0000 N   0  0  0  0  0  0           0  0  0
   -2.6552    0.1172    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9379    1.3379    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9483   -1.1207    0.0000 X   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
  5 10  1  0     0  0
  8 11  2  0     0  0
 10 12  1  0     0  0
 10 13  1  6     0  0
 12 14  1  0     0  0
 12 15  2  0     0  0
 13 16  1  0     0  0
  6  7  1  0     0  0
  9 11  1  0     0  0
M  END