COMPND    HMDB0041443
HETATM    1  C1  UNL     1      -4.651   0.891   0.467  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.276   0.958   0.643  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.341   0.194  -0.013  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.769  -0.731  -0.935  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.873  -1.535  -1.632  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.519  -1.417  -1.409  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.076  -0.505  -0.498  1.00  0.00           C  
HETATM    8  C7  UNL     1      -0.987   0.299   0.198  1.00  0.00           C  
HETATM    9  N1  UNL     1      -0.275   1.080   1.005  1.00  0.00           N  
HETATM   10  C8  UNL     1       1.055   0.808   0.853  1.00  0.00           C  
HETATM   11  C9  UNL     1       2.172   1.334   1.447  1.00  0.00           C  
HETATM   12  C10 UNL     1       3.410   0.856   1.090  1.00  0.00           C  
HETATM   13  C11 UNL     1       3.554  -0.151   0.136  1.00  0.00           C  
HETATM   14  C12 UNL     1       4.861  -0.652  -0.237  1.00  0.00           C  
HETATM   15  O2  UNL     1       5.889  -0.183   0.296  1.00  0.00           O  
HETATM   16  C13 UNL     1       2.438  -0.679  -0.461  1.00  0.00           C  
HETATM   17  C14 UNL     1       1.202  -0.188  -0.090  1.00  0.00           C  
HETATM   18  H1  UNL     1      -5.148   1.398   1.332  1.00  0.00           H  
HETATM   19  H2  UNL     1      -4.947  -0.196   0.530  1.00  0.00           H  
HETATM   20  H3  UNL     1      -5.029   1.336  -0.457  1.00  0.00           H  
HETATM   21  H4  UNL     1      -3.816  -0.894  -1.176  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.205  -2.261  -2.354  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.188  -2.039  -1.947  1.00  0.00           H  
HETATM   24  H7  UNL     1      -0.670   1.788   1.651  1.00  0.00           H  
HETATM   25  H8  UNL     1       2.024   2.119   2.188  1.00  0.00           H  
HETATM   26  H9  UNL     1       4.286   1.271   1.559  1.00  0.00           H  
HETATM   27  H10 UNL     1       4.957  -1.428  -0.973  1.00  0.00           H  
HETATM   28  H11 UNL     1       2.546  -1.473  -1.212  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5   21
CONECT    5    6    6   22
CONECT    6    7   23
CONECT    7    8    8   17
CONECT    8    9
CONECT    9   10   24
CONECT   10   11   11   17
CONECT   11   12   25
CONECT   12   13   13   26
CONECT   13   14   16
CONECT   14   15   15   27
CONECT   16   17   17   28
END