HMDB0033547
     RDKit          3D
3-Octen-2-one
 23 22  0  0  0  0  0  0  0  0999 V2000
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   -2.7118   -0.1412   -0.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0203    0.1592   -0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9088   -0.8297   -0.7063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    1.0899    0.5981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4322   -0.8338    1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1535    0.8070    1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9977    0.8628   -0.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8362   -0.2395   -1.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9381   -1.2007   -0.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2354    1.7480    0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1053   -0.7292   -0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184   -0.8536   -0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0465   -0.6210   -1.8024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5098   -1.8652   -0.6526 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  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  1 10  1  0
  1 11  1  0
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  2 13  1  0
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  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  6 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
M  END