COMPND    HMDB0040603
HETATM    1  O1  UNL     1      -3.150   1.961  -0.721  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.249   1.123  -0.064  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.815   0.051  -1.040  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.017  -0.613  -1.392  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.928  -0.974  -0.431  1.00  0.00           C  
HETATM    6  O3  UNL     1      -1.482  -1.538   0.705  1.00  0.00           O  
HETATM    7  C4  UNL     1       0.440  -0.538  -0.146  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.249  -1.401   0.600  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.553  -1.086   0.919  1.00  0.00           C  
HETATM   10  C7  UNL     1       3.109   0.101   0.509  1.00  0.00           C  
HETATM   11  O4  UNL     1       4.419   0.459   0.808  1.00  0.00           O  
HETATM   12  C8  UNL     1       2.316   0.944  -0.221  1.00  0.00           C  
HETATM   13  C9  UNL     1       0.998   0.640  -0.551  1.00  0.00           C  
HETATM   14  H1  UNL     1      -3.655   2.474  -0.056  1.00  0.00           H  
HETATM   15  H2  UNL     1      -2.776   0.671   0.816  1.00  0.00           H  
HETATM   16  H3  UNL     1      -1.446   1.743   0.324  1.00  0.00           H  
HETATM   17  H4  UNL     1      -1.390   0.519  -1.929  1.00  0.00           H  
HETATM   18  H5  UNL     1      -3.324  -1.100  -0.575  1.00  0.00           H  
HETATM   19  H6  UNL     1      -0.847  -1.817  -1.179  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.333  -0.910   1.449  1.00  0.00           H  
HETATM   21  H8  UNL     1       0.884  -2.358   0.960  1.00  0.00           H  
HETATM   22  H9  UNL     1       3.195  -1.746   1.497  1.00  0.00           H  
HETATM   23  H10 UNL     1       5.119   0.169   0.124  1.00  0.00           H  
HETATM   24  H11 UNL     1       2.735   1.899  -0.560  1.00  0.00           H  
HETATM   25  H12 UNL     1       0.395   1.328  -1.133  1.00  0.00           H  
CONECT    1    2   14
CONECT    2    3   15   16
CONECT    3    4    5   17
CONECT    4   18
CONECT    5    6    7   19
CONECT    6   20
CONECT    7    8    8   13
CONECT    8    9   21
CONECT    9   10   10   22
CONECT   10   11   12
CONECT   11   23
CONECT   12   13   13   24
CONECT   13   25
END