COMPND    HMDB0040101
HETATM    1  C1  UNL     1       2.829   0.661   0.637  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.119   0.578  -0.693  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.938  -0.359  -0.551  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.094  -1.701  -0.796  1.00  0.00           C  
HETATM    5  S1  UNL     1      -0.504  -2.274  -0.497  1.00  0.00           S  
HETATM    6  C5  UNL     1      -1.237  -0.779  -0.088  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.672  -0.550   0.295  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.850   0.911   0.564  1.00  0.00           C  
HETATM    9  N1  UNL     1      -0.238   0.056  -0.201  1.00  0.00           N  
HETATM   10  H1  UNL     1       2.284   1.330   1.319  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.868  -0.391   1.036  1.00  0.00           H  
HETATM   12  H3  UNL     1       3.879   1.004   0.502  1.00  0.00           H  
HETATM   13  H4  UNL     1       2.765   0.256  -1.522  1.00  0.00           H  
HETATM   14  H5  UNL     1       1.777   1.606  -0.939  1.00  0.00           H  
HETATM   15  H6  UNL     1       2.010  -2.234  -1.101  1.00  0.00           H  
HETATM   16  H7  UNL     1      -2.922  -1.185   1.169  1.00  0.00           H  
HETATM   17  H8  UNL     1      -3.360  -0.828  -0.536  1.00  0.00           H  
HETATM   18  H9  UNL     1      -3.676   1.357  -0.038  1.00  0.00           H  
HETATM   19  H10 UNL     1      -1.946   1.514   0.369  1.00  0.00           H  
HETATM   20  H11 UNL     1      -3.159   1.029   1.636  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3   13   14
CONECT    3    4    4    9
CONECT    4    5   15
CONECT    5    6
CONECT    6    7    9    9
CONECT    7    8   16   17
CONECT    8   18   19   20
END