COMPND    HMDB0037173
HETATM    1  C1  UNL     1      -3.822  -0.491   0.071  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.501   0.551   0.902  1.00  0.00           C  
HETATM    3  S1  UNL     1      -2.028   1.120   0.259  1.00  0.00           S  
HETATM    4  C3  UNL     1      -1.860   0.027  -1.040  1.00  0.00           C  
HETATM    5  S2  UNL     1      -0.541  -0.084  -2.273  1.00  0.00           S  
HETATM    6  S3  UNL     1       1.000  -1.378  -1.601  1.00  0.00           S  
HETATM    7  C4  UNL     1       2.249  -0.455  -0.675  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.268  -0.211   0.672  1.00  0.00           C  
HETATM    9  C6  UNL     1       3.298   0.502   1.153  1.00  0.00           C  
HETATM   10  C7  UNL     1       4.241   0.924   0.257  1.00  0.00           C  
HETATM   11  S4  UNL     1       3.666   0.317  -1.224  1.00  0.00           S  
HETATM   12  C8  UNL     1      -2.971  -0.756  -0.929  1.00  0.00           C  
HETATM   13  H1  UNL     1      -4.762  -1.057   0.266  1.00  0.00           H  
HETATM   14  H2  UNL     1      -4.078   0.912   1.773  1.00  0.00           H  
HETATM   15  H3  UNL     1       1.441  -0.608   1.301  1.00  0.00           H  
HETATM   16  H4  UNL     1       3.391   0.746   2.240  1.00  0.00           H  
HETATM   17  H5  UNL     1       5.140   1.516   0.507  1.00  0.00           H  
HETATM   18  H6  UNL     1      -3.131  -1.575  -1.660  1.00  0.00           H  
CONECT    1    2    2   12   13
CONECT    2    3   14
CONECT    3    4
CONECT    4    5   12   12
CONECT    5    6
CONECT    6    7
CONECT    7    8    8   11
CONECT    8    9   15
CONECT    9   10   10   16
CONECT   10   11   17
CONECT   12   18
END