KEGG:C01657  Ac-Tyr-OEt
  ISISHOST03240423042D 1   1.00000     0.00000  1518
 18 18  0     1  0            999 V2000
    0.2552    0.3483    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.3172    0.8414    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9621    0.6000    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2586   -0.4276    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.9655    0.4655    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5690    0.1586    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9828    1.3207    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0379   -0.9414    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9655   -0.2862    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6138    0.8414    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2552    0.4621    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0414   -1.6897    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6862   -0.5621    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.6138   -0.6655    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2621    0.4655    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8621    0.0241    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.2621   -0.2828    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.9103   -0.6655    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  1  1     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  2  0     0  0
  6 11  1  0     0  0
  8 12  1  0     0  0
  8 13  2  0     0  0
  9 14  2  0     0  0
 10 15  1  0     0  0
 11 16  1  0     0  0
 14 17  1  0     0  0
 17 18  1  0     0  0
 15 17  2  0     0  0
M  END