HMDB0040966
     RDKit          3D
1,3-Octadiene
 22 21  0  0  0  0  0  0  0  0999 V2000
    4.4657   -0.2739    0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    0.1625   -0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6002    0.2491    0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4208    0.0728   -0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4602   -0.9970    0.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3994    0.8855   -1.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   -1.0371    0.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862    0.9035   -1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2950   -1.0015    0.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9100   -0.6789   -0.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8519    1.3455    1.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3001    0.9857    1.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2900    0.2585   -1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7843   -1.4000   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3266   -0.6115   -0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  4 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
M  END