COMPND    HMDB0029694
HETATM    1  C1  UNL     1      -3.835   0.539   0.381  1.00  0.00           C  
HETATM    2  S1  UNL     1      -2.106   0.523   0.885  1.00  0.00           S  
HETATM    3  C2  UNL     1      -1.094  -0.017  -0.478  1.00  0.00           C  
HETATM    4  O1  UNL     1      -1.590  -0.323  -1.590  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.339  -0.105  -0.293  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.903   0.226   0.921  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.268   0.137   1.080  1.00  0.00           C  
HETATM    8  C6  UNL     1       3.081  -0.274   0.061  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.498  -0.601  -1.148  1.00  0.00           C  
HETATM   10  C8  UNL     1       1.141  -0.526  -1.349  1.00  0.00           C  
HETATM   11  H1  UNL     1      -4.450   0.823   1.258  1.00  0.00           H  
HETATM   12  H2  UNL     1      -4.113  -0.495   0.073  1.00  0.00           H  
HETATM   13  H3  UNL     1      -4.019   1.213  -0.478  1.00  0.00           H  
HETATM   14  H4  UNL     1       0.288   0.560   1.767  1.00  0.00           H  
HETATM   15  H5  UNL     1       2.733   0.396   2.039  1.00  0.00           H  
HETATM   16  H6  UNL     1       4.162  -0.357   0.148  1.00  0.00           H  
HETATM   17  H7  UNL     1       3.096  -0.931  -1.989  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.699  -0.788  -2.310  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3
CONECT    3    4    4    5
CONECT    5    6    6   10
CONECT    6    7   14
CONECT    7    8    8   15
CONECT    8    9   16
CONECT    9   10   10   17
CONECT   10   18
END