HMDB0031648
     RDKit          3D
2,4-Pentanedione
 15 14  0  0  0  0  0  0  0  0999 V2000
    2.1488   -0.1512   -0.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2713    0.3320    0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082    0.7502    1.7029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960    0.3444    0.6474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7947   -0.1754   -0.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2648   -0.2261   -0.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0745   -0.5739   -1.4802 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2264    0.0261   -0.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9944    0.4779   -1.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9948   -1.2273   -0.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6031   -0.2160    1.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5218    1.4018    0.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7099    0.7916   -0.8898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598   -0.6796    0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5194   -0.8746   -1.6479 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  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
  6 15  1  0
M  END