HMDB0031491
     RDKit          3D
2,3-Hexanedione
 18 17  0  0  0  0  0  0  0  0999 V2000
    2.3314   -0.6141   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7579    0.4248    0.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993    1.0528    0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346    0.0265    0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2822   -1.1711    0.3611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8561    0.3257   -0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8856   -0.7131   -0.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0987    1.5481   -0.7288 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970   -1.6342    0.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.6292    0.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1636   -0.3503   -1.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    1.2205    0.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5742    0.0240    1.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1099    1.7456    1.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6990    1.6702   -0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7757   -0.2489   -1.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1678   -1.1023    0.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5280   -1.5751   -1.2470 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  1  0
  6  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  7 16  1  0
  7 17  1  0
  7 18  1  0
M  END