COMPND    HMDB0032217
HETATM    1  C1  UNL     1      -4.851  -0.852  -0.412  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.054  -0.564   0.925  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.084   0.211   1.337  1.00  0.00           O  
HETATM    4  C3  UNL     1      -3.233   0.471   0.372  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.006   1.296   0.406  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.807   0.518   0.757  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.248   0.252   1.990  1.00  0.00           C  
HETATM    8  O2  UNL     1       0.833  -0.493   1.825  1.00  0.00           O  
HETATM    9  C7  UNL     1       1.044  -0.749   0.576  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.145  -1.551  -0.052  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.298  -0.692  -0.375  1.00  0.00           C  
HETATM   12  C10 UNL     1       3.493  -0.028  -1.559  1.00  0.00           C  
HETATM   13  C11 UNL     1       4.705   0.664  -1.441  1.00  0.00           C  
HETATM   14  C12 UNL     1       5.149   0.353  -0.169  1.00  0.00           C  
HETATM   15  O3  UNL     1       4.298  -0.447   0.431  1.00  0.00           O  
HETATM   16  C13 UNL     1       0.039  -0.136  -0.146  1.00  0.00           C  
HETATM   17  C14 UNL     1      -3.689  -0.185  -0.741  1.00  0.00           C  
HETATM   18  H1  UNL     1      -5.467  -1.465  -1.055  1.00  0.00           H  
HETATM   19  H2  UNL     1      -5.893  -0.931   1.528  1.00  0.00           H  
HETATM   20  H3  UNL     1      -2.115   2.153   1.110  1.00  0.00           H  
HETATM   21  H4  UNL     1      -1.866   1.741  -0.599  1.00  0.00           H  
HETATM   22  H5  UNL     1      -0.657   0.614   2.929  1.00  0.00           H  
HETATM   23  H6  UNL     1       2.407  -2.367   0.669  1.00  0.00           H  
HETATM   24  H7  UNL     1       1.735  -2.076  -0.951  1.00  0.00           H  
HETATM   25  H8  UNL     1       2.897   0.015  -2.451  1.00  0.00           H  
HETATM   26  H9  UNL     1       5.145   1.283  -2.197  1.00  0.00           H  
HETATM   27  H10 UNL     1       6.071   0.728   0.251  1.00  0.00           H  
HETATM   28  H11 UNL     1      -0.058  -0.168  -1.231  1.00  0.00           H  
HETATM   29  H12 UNL     1      -3.229  -0.191  -1.726  1.00  0.00           H  
CONECT    1    2    2   17   18
CONECT    2    3   19
CONECT    3    4
CONECT    4    5   17   17
CONECT    5    6   20   21
CONECT    6    7    7   16
CONECT    7    8   22
CONECT    8    9
CONECT    9   10   16   16
CONECT   10   11   23   24
CONECT   11   12   12   15
CONECT   12   13   25
CONECT   13   14   14   26
CONECT   14   15   27
CONECT   16   28
CONECT   17   29
END