HMDB0302382
     RDKit          3D
1,3-Diacetylbenzene
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.5171   -1.5553    0.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4077   -0.0889    0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4587    0.5663    0.5951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1318    0.5987    0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0600    1.9729    0.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1426    2.6544    0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892    1.9268   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    0.5316   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942   -0.2685   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3157   -1.7345   -0.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5033    0.2885   -0.5296 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0163   -0.1276   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6695   -2.0649    0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4346   -1.9603    0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4988   -1.8571   -0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9301    2.5938    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1943    3.7472    0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2382    2.4384   -0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145   -2.1933    0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3323   -2.1899   -0.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7997   -2.0535   -1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0503   -1.2248   -0.0867 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  1  0
  9 10  1  0
  9 11  2  0
  8 12  2  0
 12  4  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 10 21  1  0
 12 22  1  0
M  END