COMPND    HMDB0250311
HETATM    1  C1  UNL     1      -1.673  -1.435   1.452  1.00  0.00           C  
HETATM    2  O1  UNL     1      -0.512  -1.187   0.780  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.594  -0.185  -0.170  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.711  -0.680  -1.208  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.180   1.096   0.286  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.554   1.811   1.387  1.00  0.00           C  
HETATM    7  O2  UNL     1      -0.128   2.944   1.284  1.00  0.00           O  
HETATM    8  C6  UNL     1       0.621  -0.082  -1.025  1.00  0.00           C  
HETATM    9  O3  UNL     1       0.690  -1.321  -1.799  1.00  0.00           O  
HETATM   10  C7  UNL     1       1.950  -0.138  -0.300  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.348   1.114   0.415  1.00  0.00           C  
HETATM   12  O4  UNL     1       2.902  -0.234  -1.370  1.00  0.00           O  
HETATM   13  H1  UNL     1      -1.446  -2.265   2.187  1.00  0.00           H  
HETATM   14  H2  UNL     1      -2.029  -0.583   2.068  1.00  0.00           H  
HETATM   15  H3  UNL     1      -2.528  -1.745   0.821  1.00  0.00           H  
HETATM   16  H4  UNL     1      -1.573  -0.004  -2.069  1.00  0.00           H  
HETATM   17  H5  UNL     1      -2.687  -0.465  -0.755  1.00  0.00           H  
HETATM   18  H6  UNL     1      -1.503  -1.702  -1.493  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.246   0.869   0.583  1.00  0.00           H  
HETATM   20  H8  UNL     1      -1.220   1.784  -0.628  1.00  0.00           H  
HETATM   21  H9  UNL     1      -0.464   1.295   2.358  1.00  0.00           H  
HETATM   22  H10 UNL     1       0.635   0.728  -1.744  1.00  0.00           H  
HETATM   23  H11 UNL     1       0.696  -2.009  -1.064  1.00  0.00           H  
HETATM   24  H12 UNL     1       2.059  -1.024   0.333  1.00  0.00           H  
HETATM   25  H13 UNL     1       2.166   1.068   1.508  1.00  0.00           H  
HETATM   26  H14 UNL     1       1.967   1.985  -0.108  1.00  0.00           H  
HETATM   27  H15 UNL     1       3.484   1.197   0.332  1.00  0.00           H  
HETATM   28  H16 UNL     1       2.530  -0.830  -2.059  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3
CONECT    3    4    5    8
CONECT    4   16   17   18
CONECT    5    6   19   20
CONECT    6    7    7   21
CONECT    8    9   10   22
CONECT    9   23
CONECT   10   11   12   24
CONECT   11   25   26   27
CONECT   12   28
END