COMPND    HMDB0040073
HETATM    1  C1  UNL     1      -4.102  -0.271  -0.244  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.639  -0.494  -0.472  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.873   0.079   0.712  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.400  -0.119   0.534  1.00  0.00           C  
HETATM    5  N1  UNL     1       0.442   0.714  -0.055  1.00  0.00           N  
HETATM    6  C5  UNL     1       1.697   0.414  -0.139  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.704   1.331  -0.803  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.108  -0.777   0.398  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.499  -1.354   0.431  1.00  0.00           C  
HETATM   10  S1  UNL     1       0.626  -1.399   0.999  1.00  0.00           S  
HETATM   11  H1  UNL     1      -4.350  -0.152   0.846  1.00  0.00           H  
HETATM   12  H2  UNL     1      -4.475   0.666  -0.751  1.00  0.00           H  
HETATM   13  H3  UNL     1      -4.691  -1.131  -0.631  1.00  0.00           H  
HETATM   14  H4  UNL     1      -2.411  -1.584  -0.486  1.00  0.00           H  
HETATM   15  H5  UNL     1      -2.258   0.018  -1.390  1.00  0.00           H  
HETATM   16  H6  UNL     1      -2.197  -0.450   1.637  1.00  0.00           H  
HETATM   17  H7  UNL     1      -2.062   1.163   0.830  1.00  0.00           H  
HETATM   18  H8  UNL     1       3.235   1.834   0.025  1.00  0.00           H  
HETATM   19  H9  UNL     1       2.223   2.076  -1.446  1.00  0.00           H  
HETATM   20  H10 UNL     1       3.455   0.723  -1.351  1.00  0.00           H  
HETATM   21  H11 UNL     1       3.989  -1.133  -0.524  1.00  0.00           H  
HETATM   22  H12 UNL     1       4.054  -0.938   1.313  1.00  0.00           H  
HETATM   23  H13 UNL     1       3.425  -2.446   0.568  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4   16   17
CONECT    4    5    5   10
CONECT    5    6
CONECT    6    7    8    8
CONECT    7   18   19   20
CONECT    8    9   10
CONECT    9   21   22   23
END