KEGG:C03225  3,5-Dinitro-L-tyrosine
  ISISHOST03240423082D 1   1.00000     0.00000  2839
 19 19  0     1  0            999 V2000
   -0.3897   -0.6724    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0345   -0.2897    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2621   -0.2931    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3759   -1.3966    0.0000 N   0  3  0  0  0  0           0  0  0
   -1.0345    0.4586    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6862   -0.6724    0.0000 O   0  0  0  0  0  0           0  0  0
    0.2621    0.4586    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3448   -2.1172    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.0931   -2.1172    0.0000 O   0  5  0  0  0  0           0  0  0
   -0.3897    0.8345    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.6862    0.8345    0.0000 N   0  3  0  0  0  0           0  0  0
    0.9069    0.8345    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.5345    0.3724    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.6965    1.7862    0.0000 O   0  5  0  0  0  0           0  0  0
    1.4828    0.3414    0.0000 C   0  0  1  0  0  0           0  0  0
    2.1862    0.5931    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4828   -0.4345    0.0000 N   0  0  0  0  0  0           0  0  0
    2.7931    0.1517    0.0000 O   0  0  0  0  0  0           0  0  0
    2.2069    1.3138    0.0000 O   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  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  4  8  2  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  7 12  1  0     0  0
 11 13  2  0     0  0
 11 14  1  0     0  0
 12 15  1  0     0  0
 15 16  1  0     0  0
 15 17  1  1     0  0
 16 18  1  0     0  0
 16 19  2  0     0  0
  7 10  2  0     0  0
M  CHG  4   4   1   9  -1  11   1  14  -1
M  END