COMPND    HMDB0246944
HETATM    1  C1  UNL     1      -2.265   0.223  -1.225  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.067   0.577   0.235  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.339   0.435   1.023  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.974  -0.220   0.821  1.00  0.00           C  
HETATM    5  O1  UNL     1      -1.268  -0.983   1.799  1.00  0.00           O  
HETATM    6  C5  UNL     1       0.400  -0.174   0.339  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.753   0.647  -0.710  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.069   0.695  -1.178  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.993  -0.100  -0.561  1.00  0.00           C  
HETATM   10  O2  UNL     1       4.331  -0.111  -0.970  1.00  0.00           O  
HETATM   11  C9  UNL     1       2.680  -0.942   0.499  1.00  0.00           C  
HETATM   12  O3  UNL     1       3.657  -1.731   1.093  1.00  0.00           O  
HETATM   13  C10 UNL     1       1.362  -0.943   0.915  1.00  0.00           C  
HETATM   14  H1  UNL     1      -3.291  -0.209  -1.313  1.00  0.00           H  
HETATM   15  H2  UNL     1      -1.516  -0.481  -1.612  1.00  0.00           H  
HETATM   16  H3  UNL     1      -2.256   1.135  -1.853  1.00  0.00           H  
HETATM   17  H4  UNL     1      -1.797   1.670   0.284  1.00  0.00           H  
HETATM   18  H5  UNL     1      -3.907  -0.477   0.800  1.00  0.00           H  
HETATM   19  H6  UNL     1      -4.027   1.307   0.863  1.00  0.00           H  
HETATM   20  H7  UNL     1      -3.053   0.501   2.104  1.00  0.00           H  
HETATM   21  H8  UNL     1       0.047   1.289  -1.218  1.00  0.00           H  
HETATM   22  H9  UNL     1       2.346   1.343  -2.006  1.00  0.00           H  
HETATM   23  H10 UNL     1       4.614   0.485  -1.740  1.00  0.00           H  
HETATM   24  H11 UNL     1       3.372  -2.325   1.862  1.00  0.00           H  
HETATM   25  H12 UNL     1       1.135  -1.612   1.750  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    4   17
CONECT    3   18   19   20
CONECT    4    5    5    6
CONECT    6    7    7   13
CONECT    7    8   21
CONECT    8    9    9   22
CONECT    9   10   11
CONECT   10   23
CONECT   11   12   13   13
CONECT   12   24
CONECT   13   25
END