COMPND    HMDB0033779
HETATM    1  O1  UNL     1       3.564  -1.486   1.673  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.309  -0.677   1.069  1.00  0.00           C  
HETATM    3  O2  UNL     1       5.670  -0.783   1.258  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.693   0.318   0.212  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.367   0.390   0.054  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.753   1.365  -0.788  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.497   1.505  -0.957  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.554   0.744  -0.341  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.552   0.076   0.842  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.618  -0.721   1.269  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.750  -0.881   0.519  1.00  0.00           C  
HETATM   12  C10 UNL     1      -2.790  -0.215  -0.687  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.746   0.560  -1.100  1.00  0.00           C  
HETATM   14  O3  UNL     1      -4.042  -0.551  -1.235  1.00  0.00           O  
HETATM   15  C12 UNL     1      -4.900  -1.059  -0.229  1.00  0.00           C  
HETATM   16  O4  UNL     1      -3.936  -1.586   0.675  1.00  0.00           O  
HETATM   17  H1  UNL     1       6.249  -0.027   0.882  1.00  0.00           H  
HETATM   18  H2  UNL     1       4.287   1.033  -0.327  1.00  0.00           H  
HETATM   19  H3  UNL     1       1.842  -0.387   0.569  1.00  0.00           H  
HETATM   20  H4  UNL     1       2.485   2.037  -1.319  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.205   2.325  -1.673  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.282   0.221   1.534  1.00  0.00           H  
HETATM   23  H7  UNL     1      -1.534  -1.213   2.210  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.790   1.075  -2.041  1.00  0.00           H  
HETATM   25  H9  UNL     1      -5.412  -0.225   0.274  1.00  0.00           H  
HETATM   26  H10 UNL     1      -5.580  -1.838  -0.609  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   17
CONECT    4    5    5   18
CONECT    5    6   19
CONECT    6    7    7   20
CONECT    7    8   21
CONECT    8    9    9   13
CONECT    9   10   22
CONECT   10   11   11   23
CONECT   11   12   16
CONECT   12   13   13   14
CONECT   13   24
CONECT   14   15
CONECT   15   16   25   26
END