COMPND    HMDB0041502
HETATM    1  C1  UNL     1       2.773   0.080   0.476  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.439  -0.550   0.305  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.288  -1.771   0.401  1.00  0.00           O  
HETATM    4  C3  UNL     1       0.264   0.300   0.013  1.00  0.00           C  
HETATM    5  S1  UNL     1       0.169   1.996  -0.173  1.00  0.00           S  
HETATM    6  C4  UNL     1      -1.497   2.146  -0.480  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.939   0.854  -0.428  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.034  -0.100  -0.174  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.396  -1.574  -0.090  1.00  0.00           C  
HETATM   10  H1  UNL     1       3.283   0.088  -0.496  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.692   1.103   0.893  1.00  0.00           H  
HETATM   12  H3  UNL     1       3.385  -0.514   1.211  1.00  0.00           H  
HETATM   13  H4  UNL     1      -2.059   3.059  -0.670  1.00  0.00           H  
HETATM   14  H5  UNL     1      -3.022   0.658  -0.599  1.00  0.00           H  
HETATM   15  H6  UNL     1      -1.217  -1.855   0.967  1.00  0.00           H  
HETATM   16  H7  UNL     1      -0.711  -2.167  -0.740  1.00  0.00           H  
HETATM   17  H8  UNL     1      -2.419  -1.754  -0.415  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3    3    4
CONECT    4    5    8    8
CONECT    5    6
CONECT    6    7    7   13
CONECT    7    8   14
CONECT    8    9
CONECT    9   15   16   17
END