COMPND    HMDB0034462
HETATM    1  C1  UNL     1      -4.277   1.963  -0.551  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.559   0.690  -1.317  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.296  -0.134  -1.497  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.777  -0.473  -0.117  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.511  -1.299  -0.184  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.084  -1.578   1.236  1.00  0.00           C  
HETATM    7  C7  UNL     1       0.175  -2.400   1.303  1.00  0.00           C  
HETATM    8  O1  UNL     1       1.273  -1.797   0.692  1.00  0.00           O  
HETATM    9  C8  UNL     1       1.812  -0.576   1.056  1.00  0.00           C  
HETATM   10  O2  UNL     1       1.256   0.019   2.013  1.00  0.00           O  
HETATM   11  C9  UNL     1       2.961   0.019   0.389  1.00  0.00           C  
HETATM   12  C10 UNL     1       3.630  -0.563  -0.665  1.00  0.00           C  
HETATM   13  C11 UNL     1       4.714   0.005  -1.289  1.00  0.00           C  
HETATM   14  C12 UNL     1       5.149   1.241  -0.815  1.00  0.00           C  
HETATM   15  O3  UNL     1       6.250   1.815  -1.451  1.00  0.00           O  
HETATM   16  C13 UNL     1       4.514   1.864   0.237  1.00  0.00           C  
HETATM   17  C14 UNL     1       3.430   1.242   0.822  1.00  0.00           C  
HETATM   18  H1  UNL     1      -3.438   2.503  -1.074  1.00  0.00           H  
HETATM   19  H2  UNL     1      -4.068   1.771   0.503  1.00  0.00           H  
HETATM   20  H3  UNL     1      -5.212   2.574  -0.587  1.00  0.00           H  
HETATM   21  H4  UNL     1      -5.332   0.127  -0.756  1.00  0.00           H  
HETATM   22  H5  UNL     1      -5.019   0.938  -2.300  1.00  0.00           H  
HETATM   23  H6  UNL     1      -3.544  -1.086  -2.008  1.00  0.00           H  
HETATM   24  H7  UNL     1      -2.535   0.385  -2.075  1.00  0.00           H  
HETATM   25  H8  UNL     1      -2.476   0.504   0.358  1.00  0.00           H  
HETATM   26  H9  UNL     1      -3.530  -0.944   0.518  1.00  0.00           H  
HETATM   27  H10 UNL     1      -0.697  -0.723  -0.661  1.00  0.00           H  
HETATM   28  H11 UNL     1      -1.679  -2.272  -0.699  1.00  0.00           H  
HETATM   29  H12 UNL     1      -1.891  -2.175   1.709  1.00  0.00           H  
HETATM   30  H13 UNL     1      -0.999  -0.610   1.752  1.00  0.00           H  
HETATM   31  H14 UNL     1      -0.031  -3.354   0.758  1.00  0.00           H  
HETATM   32  H15 UNL     1       0.347  -2.686   2.356  1.00  0.00           H  
HETATM   33  H16 UNL     1       3.288  -1.523  -1.029  1.00  0.00           H  
HETATM   34  H17 UNL     1       5.239  -0.451  -2.116  1.00  0.00           H  
HETATM   35  H18 UNL     1       6.091   2.425  -2.244  1.00  0.00           H  
HETATM   36  H19 UNL     1       4.897   2.817   0.557  1.00  0.00           H  
HETATM   37  H20 UNL     1       2.931   1.742   1.656  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   21   22
CONECT    3    4   23   24
CONECT    4    5   25   26
CONECT    5    6   27   28
CONECT    6    7   29   30
CONECT    7    8   31   32
CONECT    8    9
CONECT    9   10   10   11
CONECT   11   12   12   17
CONECT   12   13   33
CONECT   13   14   14   34
CONECT   14   15   16
CONECT   15   35
CONECT   16   17   17   36
CONECT   17   37
END