COMPND    HMDB0303026
HETATM    1  C1  UNL     1       2.693  -1.827   0.551  1.00  0.00           C  
HETATM    2  S1  UNL     1       1.506  -0.891   1.580  1.00  0.00           S  
HETATM    3  C2  UNL     1       0.974   0.589   0.740  1.00  0.00           C  
HETATM    4  N1  UNL     1       1.575   1.784   0.844  1.00  0.00           N  
HETATM    5  C3  UNL     1       1.090   2.850   0.143  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.009   2.744  -0.676  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.603   1.545  -0.773  1.00  0.00           N  
HETATM    8  C5  UNL     1      -0.130   0.483  -0.084  1.00  0.00           C  
HETATM    9  C6  UNL     1      -0.860  -0.810  -0.248  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.820  -0.684  -1.435  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.795  -0.869   0.975  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.215  -2.546   1.223  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.355  -1.190  -0.032  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.122  -2.438  -0.212  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.574   3.830   0.218  1.00  0.00           H  
HETATM   16  H5  UNL     1      -0.395   3.611  -1.237  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.226  -1.686  -0.312  1.00  0.00           H  
HETATM   18  H7  UNL     1      -2.718  -1.293  -1.202  1.00  0.00           H  
HETATM   19  H8  UNL     1      -1.309  -1.073  -2.343  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.044   0.403  -1.535  1.00  0.00           H  
HETATM   21  H10 UNL     1      -2.732  -1.444   0.725  1.00  0.00           H  
HETATM   22  H11 UNL     1      -2.182   0.161   1.215  1.00  0.00           H  
HETATM   23  H12 UNL     1      -1.280  -1.250   1.875  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5
CONECT    5    6    6   15
CONECT    6    7   16
CONECT    7    8    8
CONECT    8    9
CONECT    9   10   11   17
CONECT   10   18   19   20
CONECT   11   21   22   23
END