HMDB0031477
     RDKit          3D
3,4-Heptanedione
 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.7843    0.7166   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3124   -0.6143   -0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187   -1.1641    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129   -0.3587   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0941    0.6948   -0.7005 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3381   -0.7360    0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3294   -1.8179    1.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037   -0.0214    0.5901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6210    1.2406   -0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3284    0.6169    0.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9701    1.4278   -0.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5394    1.0969   -0.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1365   -1.3589   -0.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0195   -0.4498   -1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3641   -1.3708    1.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9524   -2.2086   -0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9002    0.2079    1.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4092   -0.6844    0.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    1.0634   -1.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8773    1.9842    0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233    1.7356   -0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END