KEGG:C04201  L-Tyrosine methyl ester 4-sulfate
  ISISHOST03240423102D 1   1.00000     0.00000  3637
 18 18  0     1  0            999 V2000
    0.2517    0.4241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8966    0.8000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2517   -0.3276    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4000    0.8000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4724    0.3069    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.4000   -0.7069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0448    0.4241    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1793    0.5586    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4759   -0.4690    0.0000 N   0  0  0  0  0  0           0  0  0
   -1.0448   -0.3241    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7862    0.1172    0.0000 O   0  0  0  0  0  0           0  0  0
    2.1966    1.2793    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.6965   -0.7069    0.0000 O   0  0  0  0  0  0           0  0  0
    3.6172    0.6448    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4483   -0.7034    0.0000 S   0  0  3  0  0  0           0  0  0
   -2.4448    0.0483    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.1966   -0.7034    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.4517   -1.4517    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  2  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
  4  7  1  0     0  0
  5  8  1  0     0  0
  5  9  1  1     0  0
  6 10  1  0     0  0
  8 11  1  0     0  0
  8 12  2  0     0  0
 10 13  1  0     0  0
 11 14  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
 15 18  2  0     0  0
  7 10  2  0     0  0
M  END