HMDB0034080
     RDKit          3D
3-Methyl-1,2-cyclohexanedione
 19 19  0  0  0  0  0  0  0  0999 V2000
    1.9582   -0.1854    0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705    0.2178   -0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0739   -0.8566   -0.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407   -1.1028    0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9007    0.0653    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0973    1.3083    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6391    2.3177    0.7959 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    1.4406   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341    2.5580   -0.3397 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2691    0.7616    1.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107   -0.6431    0.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4947   -0.8426    1.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7145    0.3703   -1.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644   -1.7946   -1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4923   -0.4518   -1.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314   -1.9950   -0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4903   -1.2775    1.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6165    0.0282    1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4553    0.0818   -0.7353 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  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  8  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
M  END