COMPND    HMDB0060463
HETATM    1  N1  UNL     1       5.841  -2.296   0.833  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.761  -1.911   0.662  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.413  -1.417   0.452  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.435  -1.579   1.405  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.142  -1.121   1.241  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.831  -0.461   0.036  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.797  -0.291  -0.927  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.050  -0.763  -0.707  1.00  0.00           C  
HETATM    9  C8  UNL     1       1.141   0.422  -2.052  1.00  0.00           C  
HETATM   10  O1  UNL     1      -0.225   0.257  -1.838  1.00  0.00           O  
HETATM   11  C9  UNL     1      -0.406   0.151  -0.475  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.632  -0.678  -0.134  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.565  -2.054  -0.710  1.00  0.00           C  
HETATM   14  C12 UNL     1      -2.792  -2.795  -0.332  1.00  0.00           C  
HETATM   15  O2  UNL     1      -3.678  -2.245   0.367  1.00  0.00           O  
HETATM   16  O3  UNL     1      -3.008  -4.104  -0.728  1.00  0.00           O  
HETATM   17  C13 UNL     1      -0.671   1.506   0.087  1.00  0.00           C  
HETATM   18  C14 UNL     1      -0.749   2.628  -0.711  1.00  0.00           C  
HETATM   19  C15 UNL     1      -0.995   3.881  -0.158  1.00  0.00           C  
HETATM   20  C16 UNL     1      -1.168   4.042   1.198  1.00  0.00           C  
HETATM   21  F1  UNL     1      -1.411   5.286   1.733  1.00  0.00           F  
HETATM   22  C17 UNL     1      -1.093   2.936   2.005  1.00  0.00           C  
HETATM   23  C18 UNL     1      -0.849   1.710   1.438  1.00  0.00           C  
HETATM   24  H1  UNL     1       2.705  -2.092   2.323  1.00  0.00           H  
HETATM   25  H2  UNL     1       0.387  -1.262   2.001  1.00  0.00           H  
HETATM   26  H3  UNL     1       3.807  -0.620  -1.480  1.00  0.00           H  
HETATM   27  H4  UNL     1       1.389  -0.167  -2.977  1.00  0.00           H  
HETATM   28  H5  UNL     1       1.470   1.451  -2.162  1.00  0.00           H  
HETATM   29  H6  UNL     1      -1.703  -0.689   0.978  1.00  0.00           H  
HETATM   30  H7  UNL     1      -2.502  -0.122  -0.504  1.00  0.00           H  
HETATM   31  H8  UNL     1      -1.516  -1.935  -1.830  1.00  0.00           H  
HETATM   32  H9  UNL     1      -0.638  -2.534  -0.334  1.00  0.00           H  
HETATM   33  H10 UNL     1      -3.879  -4.289  -1.236  1.00  0.00           H  
HETATM   34  H11 UNL     1      -0.621   2.527  -1.769  1.00  0.00           H  
HETATM   35  H12 UNL     1      -1.053   4.757  -0.816  1.00  0.00           H  
HETATM   36  H13 UNL     1      -1.228   3.061   3.063  1.00  0.00           H  
HETATM   37  H14 UNL     1      -0.786   0.810   2.058  1.00  0.00           H  
CONECT    1    2    2    2
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5   24
CONECT    5    6    6   25
CONECT    6    7   11
CONECT    7    8    8    9
CONECT    8   26
CONECT    9   10   27   28
CONECT   10   11
CONECT   11   12   17
CONECT   12   13   29   30
CONECT   13   14   31   32
CONECT   14   15   15   16
CONECT   16   33
CONECT   17   18   18   23
CONECT   18   19   34
CONECT   19   20   20   35
CONECT   20   21   22
CONECT   22   23   23   36
CONECT   23   37
END