HMDB0033698
     RDKit          3D
Acetoin acetate
 19 18  0  0  0  0  0  0  0  0999 V2000
    2.8956    0.4737   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7137   -0.0954    0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8199   -0.5172    1.7818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4982   -0.1617   -0.0369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6681   -0.6895    0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2380   -1.8383   -0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087    0.3555    0.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4363    1.7229    0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7858    0.0800    1.1028 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0340    1.5353    0.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7118    0.4563   -1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231   -0.0867    0.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311   -1.0284    1.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2480   -1.6079   -0.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3106   -2.7445    0.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6001   -2.0246   -1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0081    2.2952    0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3790    2.2042   -0.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825    1.6710   -0.6692 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  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
M  END