HMDB0040216
     RDKit          3D
2,6,6-Trimethyl-2-cyclohexene-1,4-dione
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.9301   -0.4705    0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5844    0.1519    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4502    1.4412   -0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0978    1.9873   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4214   -0.6612    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5141   -1.7315    1.1718 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2517   -0.6514    1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    0.2036   -0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2922    2.1063   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8505   -0.9765    0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.5167    1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4837   -1.0575    1.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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  1 12  1  0
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  3 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END