COMPND    HMDB0033757
HETATM    1  C1  UNL     1      -2.398   2.247   0.638  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.264   0.872   0.114  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.370   0.132  -0.287  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.152  -1.141  -0.763  1.00  0.00           C  
HETATM    5  O1  UNL     1      -4.192  -1.784  -1.119  1.00  0.00           O  
HETATM    6  N1  UNL     1      -1.947  -1.715  -0.867  1.00  0.00           N  
HETATM    7  C5  UNL     1      -0.861  -1.024  -0.488  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.033   0.253  -0.005  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.167   0.982   0.400  1.00  0.00           C  
HETATM   10  O2  UNL     1       0.074   2.169   0.856  1.00  0.00           O  
HETATM   11  C8  UNL     1       1.470   0.337   0.279  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.601   1.031   0.664  1.00  0.00           C  
HETATM   13  C10 UNL     1       3.854   0.464   0.568  1.00  0.00           C  
HETATM   14  C11 UNL     1       4.035  -0.815   0.085  1.00  0.00           C  
HETATM   15  C12 UNL     1       2.888  -1.496  -0.296  1.00  0.00           C  
HETATM   16  C13 UNL     1       1.633  -0.936  -0.203  1.00  0.00           C  
HETATM   17  C14 UNL     1       0.433  -1.678  -0.614  1.00  0.00           C  
HETATM   18  O3  UNL     1       0.579  -2.843  -1.055  1.00  0.00           O  
HETATM   19  H1  UNL     1      -3.494   2.498   0.621  1.00  0.00           H  
HETATM   20  H2  UNL     1      -2.103   2.277   1.688  1.00  0.00           H  
HETATM   21  H3  UNL     1      -1.924   3.014  -0.005  1.00  0.00           H  
HETATM   22  H4  UNL     1      -4.360   0.573  -0.214  1.00  0.00           H  
HETATM   23  H5  UNL     1      -1.856  -2.703  -1.245  1.00  0.00           H  
HETATM   24  H6  UNL     1       2.461   2.044   1.046  1.00  0.00           H  
HETATM   25  H7  UNL     1       4.724   1.009   0.868  1.00  0.00           H  
HETATM   26  H8  UNL     1       5.023  -1.262   0.009  1.00  0.00           H  
HETATM   27  H9  UNL     1       3.012  -2.500  -0.677  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3    3    8
CONECT    3    4   22
CONECT    4    5    5    6
CONECT    6    7   23
CONECT    7    8    8   17
CONECT    8    9
CONECT    9   10   10   11
CONECT   11   12   12   16
CONECT   12   13   24
CONECT   13   14   14   25
CONECT   14   15   26
CONECT   15   16   16   27
CONECT   16   17
CONECT   17   18   18
END