COMPND    HMDB0032115
HETATM    1  C1  UNL     1       4.578   0.487   0.331  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.740  -0.515   0.120  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.369  -0.247  -0.411  1.00  0.00           C  
HETATM    4  S1  UNL     1       1.217  -1.185   0.617  1.00  0.00           S  
HETATM    5  S2  UNL     1      -0.341   0.157   1.208  1.00  0.00           S  
HETATM    6  C4  UNL     1      -1.779  -0.253   0.162  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.866  -1.763   0.103  1.00  0.00           C  
HETATM    8  S3  UNL     1      -3.259   0.388   0.961  1.00  0.00           S  
HETATM    9  C6  UNL     1      -3.830   1.937   0.250  1.00  0.00           C  
HETATM   10  H1  UNL     1       5.521   0.266   0.818  1.00  0.00           H  
HETATM   11  H2  UNL     1       4.333   1.507   0.108  1.00  0.00           H  
HETATM   12  H3  UNL     1       4.069  -1.540   0.110  1.00  0.00           H  
HETATM   13  H4  UNL     1       2.179   0.845  -0.383  1.00  0.00           H  
HETATM   14  H5  UNL     1       2.338  -0.543  -1.477  1.00  0.00           H  
HETATM   15  H6  UNL     1      -1.593   0.163  -0.839  1.00  0.00           H  
HETATM   16  H7  UNL     1      -1.892  -2.145  -0.946  1.00  0.00           H  
HETATM   17  H8  UNL     1      -1.016  -2.256   0.606  1.00  0.00           H  
HETATM   18  H9  UNL     1      -2.781  -2.142   0.627  1.00  0.00           H  
HETATM   19  H10 UNL     1      -4.949   1.923   0.261  1.00  0.00           H  
HETATM   20  H11 UNL     1      -3.484   2.093  -0.798  1.00  0.00           H  
HETATM   21  H12 UNL     1      -3.553   2.822   0.875  1.00  0.00           H  
CONECT    1    2    2   10   11
CONECT    2    3   12
CONECT    3    4   13   14
CONECT    4    5
CONECT    5    6
CONECT    6    7    8   15
CONECT    7   16   17   18
CONECT    8    9
CONECT    9   19   20   21
END