COMPND    HMDB0031809
HETATM    1  C1  UNL     1      -0.536   2.012  -0.394  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.821   0.569  -0.126  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.126   0.184  -0.087  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.535  -1.105   0.148  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.537  -2.024   0.348  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.185  -1.636   0.309  1.00  0.00           C  
HETATM    7  S1  UNL     1       1.292  -2.474   0.507  1.00  0.00           S  
HETATM    8  C7  UNL     1       2.349  -1.153   0.283  1.00  0.00           C  
HETATM    9  N1  UNL     1       3.669  -0.781   0.247  1.00  0.00           N  
HETATM   10  N2  UNL     1       3.681   0.489   0.006  1.00  0.00           N  
HETATM   11  C8  UNL     1       2.419   0.917  -0.108  1.00  0.00           C  
HETATM   12  N3  UNL     1       1.537  -0.130   0.068  1.00  0.00           N  
HETATM   13  C9  UNL     1       0.227  -0.353   0.076  1.00  0.00           C  
HETATM   14  H1  UNL     1       0.009   2.452   0.460  1.00  0.00           H  
HETATM   15  H2  UNL     1      -1.482   2.557  -0.591  1.00  0.00           H  
HETATM   16  H3  UNL     1       0.053   2.085  -1.311  1.00  0.00           H  
HETATM   17  H4  UNL     1      -2.924   0.912  -0.246  1.00  0.00           H  
HETATM   18  H5  UNL     1      -3.566  -1.406   0.178  1.00  0.00           H  
HETATM   19  H6  UNL     1      -1.724  -3.069   0.542  1.00  0.00           H  
HETATM   20  H7  UNL     1       2.199   1.954  -0.311  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    3   13
CONECT    3    4   17
CONECT    4    5    5   18
CONECT    5    6   19
CONECT    6    7   13   13
CONECT    7    8
CONECT    8    9    9   12
CONECT    9   10
CONECT   10   11   11
CONECT   11   12   20
CONECT   12   13
END