COMPND    HMDB0030204
HETATM    1  C1  UNL     1       3.114   0.503   0.392  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.867   1.106  -0.830  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.754   0.610  -1.342  1.00  0.00           O  
HETATM    4  C3  UNL     1       1.231  -0.282  -0.558  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.005  -1.104  -0.691  1.00  0.00           C  
HETATM    6  N1  UNL     1      -1.158  -0.444  -0.121  1.00  0.00           N  
HETATM    7  C5  UNL     1      -2.036   0.378  -0.683  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.991   0.775   0.229  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.641   0.137   1.404  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.523  -0.597   1.160  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.065  -0.384   0.562  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.957   0.696   1.062  1.00  0.00           H  
HETATM   13  H2  UNL     1       3.528   1.861  -1.242  1.00  0.00           H  
HETATM   14  H3  UNL     1      -0.183  -1.258  -1.792  1.00  0.00           H  
HETATM   15  H4  UNL     1       0.128  -2.126  -0.276  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.980   0.681  -1.736  1.00  0.00           H  
HETATM   17  H6  UNL     1      -3.830   1.445   0.045  1.00  0.00           H  
HETATM   18  H7  UNL     1      -3.213   0.249   2.334  1.00  0.00           H  
HETATM   19  H8  UNL     1      -1.018  -1.212   1.918  1.00  0.00           H  
HETATM   20  H9  UNL     1       1.924  -1.034   1.411  1.00  0.00           H  
CONECT    1    2    2   11   12
CONECT    2    3   13
CONECT    3    4
CONECT    4    5   11   11
CONECT    5    6   14   15
CONECT    6    7   10
CONECT    7    8    8   16
CONECT    8    9   17
CONECT    9   10   10   18
CONECT   10   19
CONECT   11   20
END