HMDB0029165
     RDKit          3D
1,3-Diacetylpropane
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.6561   -0.3062    0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2727    0.0297    0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9661    0.3385    1.8695 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056   -0.0204   -0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1469    0.3423    0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1626    0.2631   -0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4835    0.6227   -0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4242   -0.4547    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7330    1.8127   -0.1097 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9582    0.4356   -0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3564   -0.3840    1.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5747   -1.2857   -0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687   -1.0496   -0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288    0.7195   -1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1700    1.3661    0.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4070   -0.4294    1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167   -0.7725   -1.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8934    0.9940   -1.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6796   -1.0128   -0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9406   -1.1501    0.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3299   -0.0587    0.6056 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
  6  7  1  0
  7  8  1  0
  7  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
  6 18  1  0
  8 19  1  0
  8 20  1  0
  8 21  1  0
M  END