COMPND    HMDB0033859
HETATM    1  O1  UNL     1       0.440   0.608   1.516  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.926   0.081   0.489  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.122  -0.551  -0.428  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.302  -0.620  -0.215  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.986  -1.792   0.025  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.347  -1.816   0.230  1.00  0.00           C  
HETATM    7  C6  UNL     1      -4.072  -0.644   0.200  1.00  0.00           C  
HETATM    8  C7  UNL     1      -3.423   0.558  -0.038  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.076   0.547  -0.237  1.00  0.00           C  
HETATM   10  O2  UNL     1      -1.381   1.726  -0.479  1.00  0.00           O  
HETATM   11  O3  UNL     1      -4.417   1.537  -0.005  1.00  0.00           O  
HETATM   12  C9  UNL     1      -5.518   1.000   0.742  1.00  0.00           C  
HETATM   13  O4  UNL     1      -5.443  -0.382   0.374  1.00  0.00           O  
HETATM   14  C10 UNL     1       0.692  -1.111  -1.534  1.00  0.00           C  
HETATM   15  O5  UNL     1       2.013  -1.042  -1.711  1.00  0.00           O  
HETATM   16  C11 UNL     1       2.815  -0.449  -0.860  1.00  0.00           C  
HETATM   17  C12 UNL     1       4.187  -0.390  -1.066  1.00  0.00           C  
HETATM   18  C13 UNL     1       5.008   0.239  -0.156  1.00  0.00           C  
HETATM   19  O6  UNL     1       6.379   0.307  -0.348  1.00  0.00           O  
HETATM   20  C14 UNL     1       4.458   0.814   0.971  1.00  0.00           C  
HETATM   21  C15 UNL     1       3.108   0.758   1.177  1.00  0.00           C  
HETATM   22  C16 UNL     1       2.310   0.132   0.266  1.00  0.00           C  
HETATM   23  H1  UNL     1      -1.391  -2.707   0.044  1.00  0.00           H  
HETATM   24  H2  UNL     1      -3.841  -2.752   0.414  1.00  0.00           H  
HETATM   25  H3  UNL     1      -1.908   2.581  -0.501  1.00  0.00           H  
HETATM   26  H4  UNL     1      -5.249   1.087   1.812  1.00  0.00           H  
HETATM   27  H5  UNL     1      -6.466   1.465   0.469  1.00  0.00           H  
HETATM   28  H6  UNL     1       0.129  -1.633  -2.315  1.00  0.00           H  
HETATM   29  H7  UNL     1       4.594  -0.847  -1.956  1.00  0.00           H  
HETATM   30  H8  UNL     1       6.971   0.770   0.327  1.00  0.00           H  
HETATM   31  H9  UNL     1       5.051   1.328   1.733  1.00  0.00           H  
HETATM   32  H10 UNL     1       2.619   1.199   2.055  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   22
CONECT    3    4   14   14
CONECT    4    5    5    9
CONECT    5    6   23
CONECT    6    7    7   24
CONECT    7    8   13
CONECT    8    9    9   11
CONECT    9   10
CONECT   10   25
CONECT   11   12
CONECT   12   13   26   27
CONECT   14   15   28
CONECT   15   16
CONECT   16   17   17   22
CONECT   17   18   29
CONECT   18   19   20   20
CONECT   19   30
CONECT   20   21   31
CONECT   21   22   22   32
END