COMPND    HMDB0039428
HETATM    1  C1  UNL     1       4.615  -1.178   1.121  1.00  0.00           C  
HETATM    2  O1  UNL     1       3.432  -0.889   1.807  1.00  0.00           O  
HETATM    3  C2  UNL     1       2.299  -0.337   1.269  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.157   0.021  -0.053  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.982   0.567  -0.494  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.101   0.781   0.351  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.308   1.368  -0.215  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.299   0.369  -0.745  1.00  0.00           C  
HETATM    9  O2  UNL     1      -1.800  -0.427  -1.753  1.00  0.00           O  
HETATM   10  C8  UNL     1      -1.737  -1.770  -1.419  1.00  0.00           C  
HETATM   11  C9  UNL     1      -3.508   1.115  -1.137  1.00  0.00           C  
HETATM   12  O3  UNL     1      -3.966   0.982  -2.284  1.00  0.00           O  
HETATM   13  O4  UNL     1      -4.120   1.952  -0.235  1.00  0.00           O  
HETATM   14  C10 UNL     1       0.044   0.426   1.656  1.00  0.00           C  
HETATM   15  C11 UNL     1       1.223  -0.127   2.123  1.00  0.00           C  
HETATM   16  H1  UNL     1       4.697  -2.214   0.763  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.791  -0.518   0.246  1.00  0.00           H  
HETATM   18  H3  UNL     1       5.505  -1.005   1.794  1.00  0.00           H  
HETATM   19  H4  UNL     1       2.991  -0.137  -0.735  1.00  0.00           H  
HETATM   20  H5  UNL     1       0.912   0.835  -1.546  1.00  0.00           H  
HETATM   21  H6  UNL     1      -1.831   1.930   0.599  1.00  0.00           H  
HETATM   22  H7  UNL     1      -1.102   2.137  -1.006  1.00  0.00           H  
HETATM   23  H8  UNL     1      -2.531  -0.325   0.117  1.00  0.00           H  
HETATM   24  H9  UNL     1      -1.316  -2.292  -2.326  1.00  0.00           H  
HETATM   25  H10 UNL     1      -1.001  -1.956  -0.615  1.00  0.00           H  
HETATM   26  H11 UNL     1      -2.732  -2.188  -1.230  1.00  0.00           H  
HETATM   27  H12 UNL     1      -4.775   2.680  -0.477  1.00  0.00           H  
HETATM   28  H13 UNL     1      -0.781   0.583   2.331  1.00  0.00           H  
HETATM   29  H14 UNL     1       1.259  -0.381   3.170  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3
CONECT    3    4    4   15
CONECT    4    5   19
CONECT    5    6    6   20
CONECT    6    7   14
CONECT    7    8   21   22
CONECT    8    9   11   23
CONECT    9   10
CONECT   10   24   25   26
CONECT   11   12   12   13
CONECT   13   27
CONECT   14   15   15   28
CONECT   15   29
END