COMPND    HMDB0030561
HETATM    1  C1  UNL     1      -4.398   2.860  -0.649  1.00  0.00           C  
HETATM    2  O1  UNL     1      -4.410   1.489  -0.274  1.00  0.00           O  
HETATM    3  C2  UNL     1      -3.185   0.837  -0.139  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.991   1.490  -0.360  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.757   0.896  -0.241  1.00  0.00           C  
HETATM    6  O2  UNL     1       0.500   1.291  -0.393  1.00  0.00           O  
HETATM    7  C5  UNL     1       1.324   0.325  -0.158  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.702   0.260  -0.189  1.00  0.00           C  
HETATM    9  C7  UNL     1       3.470   1.377  -0.521  1.00  0.00           C  
HETATM   10  C8  UNL     1       4.828   1.277  -0.542  1.00  0.00           C  
HETATM   11  C9  UNL     1       5.472   0.115  -0.247  1.00  0.00           C  
HETATM   12  O3  UNL     1       6.857   0.086  -0.288  1.00  0.00           O  
HETATM   13  C10 UNL     1       4.703  -0.982   0.080  1.00  0.00           C  
HETATM   14  C11 UNL     1       3.314  -0.939   0.117  1.00  0.00           C  
HETATM   15  O4  UNL     1       2.598  -1.989   0.429  1.00  0.00           O  
HETATM   16  C12 UNL     1       1.273  -1.962   0.469  1.00  0.00           C  
HETATM   17  O5  UNL     1       0.585  -2.970   0.769  1.00  0.00           O  
HETATM   18  C13 UNL     1       0.600  -0.796   0.174  1.00  0.00           C  
HETATM   19  C14 UNL     1      -0.725  -0.447   0.125  1.00  0.00           C  
HETATM   20  C15 UNL     1      -1.905  -1.127   0.353  1.00  0.00           C  
HETATM   21  C16 UNL     1      -3.119  -0.490   0.221  1.00  0.00           C  
HETATM   22  O6  UNL     1      -4.295  -1.174   0.449  1.00  0.00           O  
HETATM   23  C17 UNL     1      -4.353  -2.530   0.822  1.00  0.00           C  
HETATM   24  H1  UNL     1      -3.738   3.407   0.074  1.00  0.00           H  
HETATM   25  H2  UNL     1      -5.394   3.308  -0.627  1.00  0.00           H  
HETATM   26  H3  UNL     1      -3.920   2.960  -1.653  1.00  0.00           H  
HETATM   27  H4  UNL     1      -2.038   2.541  -0.645  1.00  0.00           H  
HETATM   28  H5  UNL     1       2.936   2.287  -0.751  1.00  0.00           H  
HETATM   29  H6  UNL     1       5.394   2.159  -0.803  1.00  0.00           H  
HETATM   30  H7  UNL     1       7.419  -0.726  -0.086  1.00  0.00           H  
HETATM   31  H8  UNL     1       5.194  -1.899   0.313  1.00  0.00           H  
HETATM   32  H9  UNL     1      -1.805  -2.169   0.634  1.00  0.00           H  
HETATM   33  H10 UNL     1      -4.239  -2.669   1.910  1.00  0.00           H  
HETATM   34  H11 UNL     1      -5.319  -2.997   0.536  1.00  0.00           H  
HETATM   35  H12 UNL     1      -3.577  -3.099   0.236  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3
CONECT    3    4    4   21
CONECT    4    5   27
CONECT    5    6   19   19
CONECT    6    7
CONECT    7    8   18   18
CONECT    8    9    9   14
CONECT    9   10   28
CONECT   10   11   11   29
CONECT   11   12   13
CONECT   12   30
CONECT   13   14   14   31
CONECT   14   15
CONECT   15   16
CONECT   16   17   17   18
CONECT   18   19
CONECT   19   20
CONECT   20   21   21   32
CONECT   21   22
CONECT   22   23
CONECT   23   33   34   35
END