COMPND    HMDB0040034
HETATM    1  C1  UNL     1       3.465   0.040  -0.682  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.837  -0.577   0.565  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.347  -0.483   0.343  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.516   0.479   0.666  1.00  0.00           N  
HETATM    5  C4  UNL     1      -0.750   0.385   0.393  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.748   1.333   0.680  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.041   1.129   0.347  1.00  0.00           C  
HETATM    8  C7  UNL     1      -3.491  -0.006  -0.291  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.520  -0.954  -0.583  1.00  0.00           C  
HETATM   10  C9  UNL     1      -1.176  -0.751  -0.242  1.00  0.00           C  
HETATM   11  S1  UNL     1       0.292  -1.616  -0.403  1.00  0.00           S  
HETATM   12  H1  UNL     1       3.020   1.075  -0.772  1.00  0.00           H  
HETATM   13  H2  UNL     1       4.555   0.069  -0.606  1.00  0.00           H  
HETATM   14  H3  UNL     1       3.092  -0.527  -1.560  1.00  0.00           H  
HETATM   15  H4  UNL     1       3.066  -0.019   1.473  1.00  0.00           H  
HETATM   16  H5  UNL     1       3.111  -1.633   0.570  1.00  0.00           H  
HETATM   17  H6  UNL     1      -1.505   2.275   1.186  1.00  0.00           H  
HETATM   18  H7  UNL     1      -3.832   1.867   0.568  1.00  0.00           H  
HETATM   19  H8  UNL     1      -4.501  -0.201  -0.569  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.735  -1.886  -1.080  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3   15   16
CONECT    3    4    4   11
CONECT    4    5
CONECT    5    6    6   10
CONECT    6    7   17
CONECT    7    8    8   18
CONECT    8    9   19
CONECT    9   10   10   20
CONECT   10   11
END