HMDB0030001
     RDKit          3D
2-Acetyl-3-methylpyrazine
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.3420   -1.0797   -0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088    0.0245   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    1.0976    0.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0789   -0.1807   -0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4950   -1.3736   -0.3837 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8109   -1.5829   -0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065   -0.5682    0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0312    0.5922    0.5953 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    0.8366    0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0756    2.1166    0.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0964   -1.1612   -1.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9816   -2.0167   -0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4139   -0.9236   -0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2253   -2.5374   -0.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570   -0.7699    0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3463    2.6621   -0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6613    2.0766    1.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8998    2.7876    1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  7 15  1  0
 10 16  1  0
 10 17  1  0
 10 18  1  0
M  END