COMPND    HMDB0033001
HETATM    1  C1  UNL     1       3.497   0.064  -0.062  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.027  -0.082   0.091  1.00  0.00           C  
HETATM    3  N1  UNL     1       1.095   0.554  -0.572  1.00  0.00           N  
HETATM    4  C3  UNL     1      -0.165   0.320  -0.328  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.266   0.922  -0.956  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.531   0.588  -0.607  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.839  -0.346   0.367  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.775  -0.947   0.994  1.00  0.00           C  
HETATM    9  C8  UNL     1      -0.470  -0.601   0.633  1.00  0.00           C  
HETATM   10  S1  UNL     1       1.119  -1.081   1.133  1.00  0.00           S  
HETATM   11  H1  UNL     1       3.787   1.105   0.145  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.829  -0.249  -1.073  1.00  0.00           H  
HETATM   13  H3  UNL     1       3.984  -0.663   0.643  1.00  0.00           H  
HETATM   14  H4  UNL     1      -1.138   1.668  -1.734  1.00  0.00           H  
HETATM   15  H5  UNL     1      -3.423   1.038  -1.077  1.00  0.00           H  
HETATM   16  H6  UNL     1      -3.836  -0.608   0.641  1.00  0.00           H  
HETATM   17  H7  UNL     1      -1.894  -1.682   1.761  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3    3   10
CONECT    3    4
CONECT    4    5    5    9
CONECT    5    6   14
CONECT    6    7    7   15
CONECT    7    8   16
CONECT    8    9    9   17
CONECT    9   10
END