HMDB0061900
     RDKit          3D
2,4-Octadiene
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.6742    0.5263    1.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430    0.6056    1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5598   -0.3478    0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705   -0.1885    0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5393   -1.1437    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382   -0.9876   -0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    0.3717   -1.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9726    0.5011   -2.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186    1.1300    2.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8889   -0.5299    2.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5708    0.8796    1.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2861    1.5137    0.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6951   -1.2617    1.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2013    0.7137   -0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3929   -2.0568    0.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883   -1.1604   -0.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6927   -1.7516   -1.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586    0.4111   -2.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7632    1.1736   -0.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2597   -0.4756   -2.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8425    0.8629   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8225    1.2143   -3.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  4 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