N-acetylneuraminic acid.mol
  Mrv0541 02231218242D          

 21 21  0  0  0  0            999 V2000
    1.5210    1.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2389    0.9464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0513    0.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2389    0.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244   -0.2911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5244   -1.1161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1901   -1.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2389   -1.5286    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2389   -2.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9533   -1.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9533   -0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901    0.1214    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9046   -0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1901    0.9464    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9046    1.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244    1.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3335    1.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9907    2.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6190    0.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6190    0.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3335   -0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  6  0  0  0
  2  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
  2 16  1  0  0  0  0
  1 17  2  0  0  0  0
  1 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 13 19  1  0  0  0  0
M  END