COMPND    HMDB0060462
HETATM    1  N1  UNL     1       6.193  -0.992  -0.816  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.058  -0.957  -0.575  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.658  -0.923  -0.262  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.792  -1.850  -0.799  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.432  -1.785  -0.471  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.965  -0.807   0.378  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.876   0.124   0.912  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.194   0.059   0.591  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.067   1.020   1.823  1.00  0.00           C  
HETATM   10  O1  UNL     1       0.090   0.111   2.226  1.00  0.00           O  
HETATM   11  C9  UNL     1      -0.311  -0.366   0.955  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.462  -1.268   1.020  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.966  -1.678  -0.322  1.00  0.00           C  
HETATM   14  C12 UNL     1      -3.156  -2.590  -0.162  1.00  0.00           C  
HETATM   15  O2  UNL     1      -3.733  -3.052  -1.117  1.00  0.00           O  
HETATM   16  C13 UNL     1      -0.790   0.887   0.247  1.00  0.00           C  
HETATM   17  C14 UNL     1      -1.760   1.618   0.891  1.00  0.00           C  
HETATM   18  C15 UNL     1      -2.279   2.781   0.348  1.00  0.00           C  
HETATM   19  C16 UNL     1      -1.780   3.191  -0.886  1.00  0.00           C  
HETATM   20  F1  UNL     1      -2.286   4.337  -1.430  1.00  0.00           F  
HETATM   21  C17 UNL     1      -0.811   2.481  -1.552  1.00  0.00           C  
HETATM   22  C18 UNL     1      -0.323   1.309  -0.953  1.00  0.00           C  
HETATM   23  H1  UNL     1       3.110  -2.632  -1.467  1.00  0.00           H  
HETATM   24  H2  UNL     1       0.810  -2.547  -0.911  1.00  0.00           H  
HETATM   25  H3  UNL     1       3.899   0.781   1.004  1.00  0.00           H  
HETATM   26  H4  UNL     1       0.614   1.854   1.294  1.00  0.00           H  
HETATM   27  H5  UNL     1       1.694   1.354   2.680  1.00  0.00           H  
HETATM   28  H6  UNL     1      -1.256  -2.193   1.624  1.00  0.00           H  
HETATM   29  H7  UNL     1      -2.286  -0.718   1.546  1.00  0.00           H  
HETATM   30  H8  UNL     1      -1.287  -2.198  -0.980  1.00  0.00           H  
HETATM   31  H9  UNL     1      -2.294  -0.759  -0.904  1.00  0.00           H  
HETATM   32  H10 UNL     1      -3.472  -2.816   0.825  1.00  0.00           H  
HETATM   33  H11 UNL     1      -2.159   1.316   1.850  1.00  0.00           H  
HETATM   34  H12 UNL     1      -3.041   3.366   0.843  1.00  0.00           H  
HETATM   35  H13 UNL     1      -0.430   2.805  -2.510  1.00  0.00           H  
HETATM   36  H14 UNL     1       0.432   0.738  -1.452  1.00  0.00           H  
CONECT    1    2    2    2
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5   23
CONECT    5    6    6   24
CONECT    6    7   11
CONECT    7    8    8    9
CONECT    8   25
CONECT    9   10   26   27
CONECT   10   11
CONECT   11   12   16
CONECT   12   13   28   29
CONECT   13   14   30   31
CONECT   14   15   15   32
CONECT   16   17   17   22
CONECT   17   18   33
CONECT   18   19   19   34
CONECT   19   20   21
CONECT   21   22   22   35
CONECT   22   36
END