COMPND    HMDB0031616
HETATM    1  C1  UNL     1      -1.978   1.131  -0.152  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.903   0.212   1.068  1.00  0.00           C  
HETATM    3  O1  UNL     1      -3.045   0.656   1.864  1.00  0.00           O  
HETATM    4  C3  UNL     1      -0.753   0.424   1.918  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.472   0.232   1.541  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.936  -0.213   0.281  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.286   0.088  -0.007  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.902  -0.330  -1.153  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.224  -1.068  -2.079  1.00  0.00           C  
HETATM   10  C9  UNL     1       0.915  -1.375  -1.825  1.00  0.00           C  
HETATM   11  C10 UNL     1       0.267  -0.951  -0.646  1.00  0.00           C  
HETATM   12  H1  UNL     1      -2.204   0.491  -1.024  1.00  0.00           H  
HETATM   13  H2  UNL     1      -2.749   1.930  -0.032  1.00  0.00           H  
HETATM   14  H3  UNL     1      -0.974   1.591  -0.299  1.00  0.00           H  
HETATM   15  H4  UNL     1      -2.191  -0.790   0.792  1.00  0.00           H  
HETATM   16  H5  UNL     1      -3.769   0.796   1.207  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.930   0.779   2.985  1.00  0.00           H  
HETATM   18  H7  UNL     1       1.260   0.437   2.332  1.00  0.00           H  
HETATM   19  H8  UNL     1       2.887   0.667   0.674  1.00  0.00           H  
HETATM   20  H9  UNL     1       3.947  -0.081  -1.352  1.00  0.00           H  
HETATM   21  H10 UNL     1       2.748  -1.380  -2.976  1.00  0.00           H  
HETATM   22  H11 UNL     1       0.381  -1.954  -2.551  1.00  0.00           H  
HETATM   23  H12 UNL     1      -0.728  -1.293  -0.565  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    4   15
CONECT    3   16
CONECT    4    5    5   17
CONECT    5    6   18
CONECT    6    7    7   11
CONECT    7    8   19
CONECT    8    9    9   20
CONECT    9   10   21
CONECT   10   11   11   22
CONECT   11   23
END