KEGG:C01262  beta-Alanyl-N(pai)-methyl-L-histidine
  ISISHOST03240423042D 1   1.00000     0.00000  1185
 17 17  0     1  0            999 V2000
    1.3724    0.2103    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6586    0.4414    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9828    0.6517    0.0000 N   0  0  3  0  0  0           0  0  0
    1.6069   -0.5069    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0103    0.0655    0.0000 C   0  0  2  0  0  0           0  0  0
    2.5862    0.2069    0.0000 C   0  0  0  0  0  0           0  0  0
    1.9759    1.5345    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3586   -0.5000    0.0000 N   0  0  0  0  0  0           0  0  0
   -0.9069    0.4310    0.0000 N   0  0  0  0  0  0           0  0  0
    0.0103   -0.6862    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5552    0.0552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6586   -1.0621    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6414   -1.0621    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.2069    0.4310    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.5552   -0.6931    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.8552    0.0552    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5034    0.4310    0.0000 N   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  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  1  1     0  0
  9 11  1  0     0  0
 10 12  1  0     0  0
 10 13  2  0     0  0
 11 14  1  0     0  0
 11 15  2  0     0  0
 14 16  1  0     0  0
 16 17  1  0     0  0
  6  8  2  0     0  0
M  END