COMPND    HMDB0031670
HETATM    1  C1  UNL     1      -1.430  -1.218  -0.221  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.665   0.040   0.091  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.821   0.359   1.550  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.218   1.154  -0.719  1.00  0.00           C  
HETATM    5  O1  UNL     1      -2.432   1.329  -1.003  1.00  0.00           O  
HETATM    6  N1  UNL     1      -0.104   1.951  -1.088  1.00  0.00           N  
HETATM    7  C5  UNL     1       1.101   1.239  -0.855  1.00  0.00           C  
HETATM    8  O2  UNL     1       2.285   1.665  -1.079  1.00  0.00           O  
HETATM    9  N2  UNL     1       0.720  -0.025  -0.330  1.00  0.00           N  
HETATM   10  C6  UNL     1       1.591  -1.188  -0.237  1.00  0.00           C  
HETATM   11  O3  UNL     1       2.264  -1.194   0.990  1.00  0.00           O  
HETATM   12  H1  UNL     1      -1.482  -1.866   0.679  1.00  0.00           H  
HETATM   13  H2  UNL     1      -2.487  -0.921  -0.464  1.00  0.00           H  
HETATM   14  H3  UNL     1      -1.022  -1.721  -1.109  1.00  0.00           H  
HETATM   15  H4  UNL     1      -1.653   1.099   1.685  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.111  -0.546   2.117  1.00  0.00           H  
HETATM   17  H6  UNL     1       0.147   0.771   1.924  1.00  0.00           H  
HETATM   18  H7  UNL     1      -0.139   2.932  -1.481  1.00  0.00           H  
HETATM   19  H8  UNL     1       2.370  -1.121  -1.035  1.00  0.00           H  
HETATM   20  H9  UNL     1       1.028  -2.123  -0.398  1.00  0.00           H  
HETATM   21  H10 UNL     1       3.060  -0.615   0.982  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    4    9
CONECT    3   15   16   17
CONECT    4    5    5    6
CONECT    6    7   18
CONECT    7    8    8    9
CONECT    9   10
CONECT   10   11   19   20
CONECT   11   21
END