HMDB0244161
     RDKit          3D
1,3-Cyclohexanedione
 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.3566   -1.0267    0.5487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -0.5001    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2315   -1.3672   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599   -0.8112    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.5531   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2027    1.4215    0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5427    2.4648    0.7195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2038    0.9716    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1837   -1.3448   -1.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3169   -2.4058    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8600   -0.6807    1.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9203   -1.4754    0.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0502    0.4609   -1.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530    0.9354   -0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7358    1.4089    1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571    1.3957   -0.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  2  1  0
  3  9  1  0
  3 10  1  0
  4 11  1  0
  4 12  1  0
  5 13  1  0
  5 14  1  0
  8 15  1  0
  8 16  1  0
M  END