COMPND    HMDB0033252
HETATM    1  C1  UNL     1      -2.760  -2.356  -0.085  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.036  -1.563  -0.838  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.300  -2.200  -1.961  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.943  -0.141  -0.603  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.790   0.373   0.566  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.223   1.752   0.857  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.747   1.589   0.580  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.266   2.879  -0.048  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.566   0.410  -0.338  1.00  0.00           C  
HETATM   10  C10 UNL     1       0.375  -0.556   0.275  1.00  0.00           C  
HETATM   11  C11 UNL     1       1.698  -0.127  -0.303  1.00  0.00           C  
HETATM   12  C12 UNL     1       2.892  -0.270   0.229  1.00  0.00           C  
HETATM   13  C13 UNL     1       3.031  -0.918   1.549  1.00  0.00           C  
HETATM   14  C14 UNL     1       4.091   0.214  -0.486  1.00  0.00           C  
HETATM   15  C15 UNL     1       1.372   0.480  -1.581  1.00  0.00           C  
HETATM   16  O1  UNL     1       2.116   0.627  -2.571  1.00  0.00           O  
HETATM   17  O2  UNL     1       0.053   0.883  -1.517  1.00  0.00           O  
HETATM   18  H1  UNL     1      -2.856  -3.434  -0.225  1.00  0.00           H  
HETATM   19  H2  UNL     1      -3.316  -1.940   0.739  1.00  0.00           H  
HETATM   20  H3  UNL     1      -2.073  -2.502  -2.710  1.00  0.00           H  
HETATM   21  H4  UNL     1      -0.871  -3.155  -1.559  1.00  0.00           H  
HETATM   22  H5  UNL     1      -0.525  -1.557  -2.397  1.00  0.00           H  
HETATM   23  H6  UNL     1      -2.330   0.412  -1.507  1.00  0.00           H  
HETATM   24  H7  UNL     1      -2.521  -0.254   1.446  1.00  0.00           H  
HETATM   25  H8  UNL     1      -3.851   0.392   0.350  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.670   2.512   0.193  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.405   1.950   1.934  1.00  0.00           H  
HETATM   28  H11 UNL     1      -0.223   1.417   1.536  1.00  0.00           H  
HETATM   29  H12 UNL     1       0.795   3.069   0.113  1.00  0.00           H  
HETATM   30  H13 UNL     1      -0.419   2.834  -1.163  1.00  0.00           H  
HETATM   31  H14 UNL     1      -0.892   3.709   0.327  1.00  0.00           H  
HETATM   32  H15 UNL     1       0.221  -1.612  -0.008  1.00  0.00           H  
HETATM   33  H16 UNL     1       0.416  -0.419   1.372  1.00  0.00           H  
HETATM   34  H17 UNL     1       2.995  -2.036   1.407  1.00  0.00           H  
HETATM   35  H18 UNL     1       4.017  -0.721   2.018  1.00  0.00           H  
HETATM   36  H19 UNL     1       2.247  -0.625   2.267  1.00  0.00           H  
HETATM   37  H20 UNL     1       5.016  -0.243  -0.038  1.00  0.00           H  
HETATM   38  H21 UNL     1       4.052  -0.183  -1.542  1.00  0.00           H  
HETATM   39  H22 UNL     1       4.195   1.311  -0.472  1.00  0.00           H  
CONECT    1    2    2   18   19
CONECT    2    3    4
CONECT    3   20   21   22
CONECT    4    5    9   23
CONECT    5    6   24   25
CONECT    6    7   26   27
CONECT    7    8    9   28
CONECT    8   29   30   31
CONECT    9   10   17
CONECT   10   11   32   33
CONECT   11   12   12   15
CONECT   12   13   14
CONECT   13   34   35   36
CONECT   14   37   38   39
CONECT   15   16   16   17
END