COMPND    HMDB0030327
HETATM    1  O1  UNL     1       5.685   1.025  -0.478  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.340   1.386  -0.447  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.523   0.173  -0.203  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.985  -1.112  -0.032  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.866  -1.914   0.168  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.784  -1.059   0.105  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.407  -1.522   0.268  1.00  0.00           C  
HETATM    8  N1  UNL     1       0.088  -2.796   0.489  1.00  0.00           N  
HETATM    9  C7  UNL     1      -1.144  -3.259   0.642  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.199  -2.360   0.571  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.936  -1.022   0.344  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.627  -0.591   0.190  1.00  0.00           C  
HETATM   13  N2  UNL     1      -0.655   0.734  -0.016  1.00  0.00           N  
HETATM   14  C11 UNL     1      -1.911   1.205  -0.007  1.00  0.00           C  
HETATM   15  C12 UNL     1      -2.477   2.469  -0.168  1.00  0.00           C  
HETATM   16  C13 UNL     1      -3.841   2.669  -0.109  1.00  0.00           C  
HETATM   17  C14 UNL     1      -4.640   1.568   0.116  1.00  0.00           C  
HETATM   18  C15 UNL     1      -4.095   0.313   0.277  1.00  0.00           C  
HETATM   19  C16 UNL     1      -2.720   0.107   0.218  1.00  0.00           C  
HETATM   20  O2  UNL     1       2.215   0.148  -0.113  1.00  0.00           O  
HETATM   21  H1  UNL     1       6.281   1.781  -0.233  1.00  0.00           H  
HETATM   22  H2  UNL     1       4.138   2.163   0.331  1.00  0.00           H  
HETATM   23  H3  UNL     1       4.036   1.856  -1.421  1.00  0.00           H  
HETATM   24  H4  UNL     1       5.006  -1.475  -0.042  1.00  0.00           H  
HETATM   25  H5  UNL     1       2.859  -2.990   0.337  1.00  0.00           H  
HETATM   26  H6  UNL     1      -1.408  -4.291   0.821  1.00  0.00           H  
HETATM   27  H7  UNL     1      -3.227  -2.675   0.688  1.00  0.00           H  
HETATM   28  H8  UNL     1       0.192   1.315  -0.162  1.00  0.00           H  
HETATM   29  H9  UNL     1      -1.842   3.327  -0.344  1.00  0.00           H  
HETATM   30  H10 UNL     1      -4.271   3.661  -0.237  1.00  0.00           H  
HETATM   31  H11 UNL     1      -5.709   1.728   0.161  1.00  0.00           H  
HETATM   32  H12 UNL     1      -4.705  -0.562   0.454  1.00  0.00           H  
CONECT    1    2   21
CONECT    2    3   22   23
CONECT    3    4    4   20
CONECT    4    5   24
CONECT    5    6    6   25
CONECT    6    7   20
CONECT    7    8    8   12
CONECT    8    9
CONECT    9   10   10   26
CONECT   10   11   27
CONECT   11   12   12   19
CONECT   12   13
CONECT   13   14   28
CONECT   14   15   15   19
CONECT   15   16   29
CONECT   16   17   17   30
CONECT   17   18   31
CONECT   18   19   19   32
END