COMPND    HMDB0037169
HETATM    1  S1  UNL     1      -3.641  -0.518  -0.484  1.00  0.00           S  
HETATM    2  C1  UNL     1      -1.940   0.082  -0.511  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.014  -0.971   0.097  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.367  -0.376   0.027  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.863   0.387   1.064  1.00  0.00           C  
HETATM    6  N1  UNL     1       2.098   0.933   1.029  1.00  0.00           N  
HETATM    7  C5  UNL     1       2.868   0.729  -0.045  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.378  -0.033  -1.087  1.00  0.00           C  
HETATM    9  N2  UNL     1       1.153  -0.573  -1.049  1.00  0.00           N  
HETATM   10  H1  UNL     1      -4.478   0.522  -0.970  1.00  0.00           H  
HETATM   11  H2  UNL     1      -1.599   0.383  -1.522  1.00  0.00           H  
HETATM   12  H3  UNL     1      -1.808   0.995   0.129  1.00  0.00           H  
HETATM   13  H4  UNL     1      -1.023  -1.885  -0.506  1.00  0.00           H  
HETATM   14  H5  UNL     1      -1.280  -1.110   1.147  1.00  0.00           H  
HETATM   15  H6  UNL     1       0.196   0.525   1.920  1.00  0.00           H  
HETATM   16  H7  UNL     1       3.864   1.123  -0.165  1.00  0.00           H  
HETATM   17  H8  UNL     1       2.997  -0.212  -1.980  1.00  0.00           H  
CONECT    1    2   10
CONECT    2    3   11   12
CONECT    3    4   13   14
CONECT    4    5    5    9
CONECT    5    6   15
CONECT    6    7    7
CONECT    7    8   16
CONECT    8    9    9   17
END