HMDB0000453
     RDKit          3D
delta-Hexanolactone
 18 18  0  0  0  0  0  0  0  0999 V2000
    2.0802    0.4916   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178   -0.3702   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1909   -1.0340    0.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8464   -0.0785    1.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856    0.0931   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612    0.8640   -1.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7682    1.8291   -1.6128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    0.4642   -1.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7015   -0.1857    0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6115    0.8381   -0.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6444    1.3128    0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3783   -1.1262   -1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8678   -1.2758    1.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3228   -1.9391    0.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -0.4261    1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3049    0.9007    1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1073   -0.9160   -0.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8016    0.5577    0.2999 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  2  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
M  END