HMDB0031492
     RDKit          3D
3,4-Hexanedione
 18 17  0  0  0  0  0  0  0  0999 V2000
    3.1375    0.0399   -0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8091   -0.6364   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810    0.3169   -0.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    1.5428    0.0661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720   -0.2119   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9068   -1.4398   -0.1883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8335    0.7098    0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1209   -0.0447    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261   -0.0260    0.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213   -0.5433   -0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1239    1.0731   -0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990   -1.1795   -1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770   -1.3418    0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6972    1.1366    1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643    1.5127   -0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9009   -1.1400    0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6540    0.0131    1.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8002    0.2184   -0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END