COMPND    HMDB0060946
HETATM    1  C1  UNL     1       3.112   0.504  -0.413  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.218  -0.313   0.449  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.445  -0.421   1.691  1.00  0.00           O  
HETATM    4  N1  UNL     1       1.113  -0.980  -0.076  1.00  0.00           N  
HETATM    5  C3  UNL     1      -0.107  -0.563  -0.021  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.499   0.691   0.612  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.770   1.070   0.638  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.836   0.268   0.045  1.00  0.00           C  
HETATM    9  O2  UNL     1      -4.039   0.634   0.075  1.00  0.00           O  
HETATM   10  C7  UNL     1      -2.444  -0.986  -0.588  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.174  -1.361  -0.612  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.517  -0.201  -1.192  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.932   0.923   0.212  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.489   1.302  -0.869  1.00  0.00           H  
HETATM   15  H4  UNL     1       0.269   1.309   1.061  1.00  0.00           H  
HETATM   16  H5  UNL     1      -2.075   2.000   1.106  1.00  0.00           H  
HETATM   17  H6  UNL     1      -3.232  -1.583  -1.028  1.00  0.00           H  
HETATM   18  H7  UNL     1      -0.919  -2.293  -1.088  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    3    4
CONECT    4    5    5
CONECT    5    6   11
CONECT    6    7    7   15
CONECT    7    8   16
CONECT    8    9    9   10
CONECT   10   11   11   17
CONECT   11   18
END