COMPND    HMDB0040143
HETATM    1  C1  UNL     1       2.754   0.628   0.945  1.00  0.00           C  
HETATM    2  O1  UNL     1       2.269  -0.184  -0.089  1.00  0.00           O  
HETATM    3  C2  UNL     1       0.928  -0.271  -0.431  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.561  -1.102  -1.468  1.00  0.00           C  
HETATM    5  N1  UNL     1      -0.751  -1.170  -1.782  1.00  0.00           N  
HETATM    6  C4  UNL     1      -1.650  -0.440  -1.092  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.282   0.390  -0.057  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.287   1.184   0.687  1.00  0.00           C  
HETATM    9  N2  UNL     1       0.025   0.458   0.256  1.00  0.00           N  
HETATM   10  H1  UNL     1       1.987   0.590   1.767  1.00  0.00           H  
HETATM   11  H2  UNL     1       2.850   1.677   0.603  1.00  0.00           H  
HETATM   12  H3  UNL     1       3.722   0.305   1.320  1.00  0.00           H  
HETATM   13  H4  UNL     1       1.313  -1.685  -2.012  1.00  0.00           H  
HETATM   14  H5  UNL     1      -2.724  -0.474  -1.326  1.00  0.00           H  
HETATM   15  H6  UNL     1      -3.308   0.743   0.510  1.00  0.00           H  
HETATM   16  H7  UNL     1      -2.308   2.245   0.384  1.00  0.00           H  
HETATM   17  H8  UNL     1      -2.099   1.120   1.785  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3
CONECT    3    4    4    9
CONECT    4    5   13
CONECT    5    6    6
CONECT    6    7   14
CONECT    7    8    9    9
CONECT    8   15   16   17
END