HMDB0033830
     RDKit          3D
Cassiastearoptene
 22 22  0  0  0  0  0  0  0  0999 V2000
   -0.8447    2.2457    1.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216    1.2432    0.8458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6937    0.2169    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0953    0.1519    0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6831   -0.8669   -0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8932   -1.8070   -1.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5376   -1.7161   -1.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1183   -0.6924   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571   -0.7385   -0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620    0.1119    0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383   -0.0404    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5486    0.8106    0.6045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.8016    2.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1783    2.8004    2.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178    3.0130    0.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6998    0.8974    0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7585   -0.9044   -0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3865   -2.5985   -1.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0345   -2.4728   -1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0903   -1.5388   -1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9701    0.9317    0.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2785   -0.8485   -0.5262 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  0
M  END