COMPND    HMDB0033146
HETATM    1  O1  UNL     1       0.452  -0.014   2.179  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.254  -0.233   1.171  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.707  -0.052   1.260  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.494  -0.269   0.228  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.937  -0.103   0.268  1.00  0.00           C  
HETATM    6  C5  UNL     1      -4.654   0.296   1.371  1.00  0.00           C  
HETATM    7  C6  UNL     1      -6.029   0.436   1.348  1.00  0.00           C  
HETATM    8  C7  UNL     1      -6.765   0.178   0.195  1.00  0.00           C  
HETATM    9  O2  UNL     1      -8.143   0.337   0.234  1.00  0.00           O  
HETATM   10  C8  UNL     1      -6.053  -0.222  -0.914  1.00  0.00           C  
HETATM   11  O3  UNL     1      -6.724  -0.495  -2.091  1.00  0.00           O  
HETATM   12  C9  UNL     1      -4.676  -0.359  -0.877  1.00  0.00           C  
HETATM   13  O4  UNL     1       0.350  -0.637   0.010  1.00  0.00           O  
HETATM   14  C10 UNL     1       1.747  -0.797  -0.026  1.00  0.00           C  
HETATM   15  C11 UNL     1       2.554   0.179  -0.352  1.00  0.00           C  
HETATM   16  C12 UNL     1       4.004   0.099  -0.413  1.00  0.00           C  
HETATM   17  C13 UNL     1       4.629  -1.082  -0.111  1.00  0.00           C  
HETATM   18  C14 UNL     1       6.020  -1.150  -0.173  1.00  0.00           C  
HETATM   19  C15 UNL     1       6.791  -0.068  -0.527  1.00  0.00           C  
HETATM   20  O5  UNL     1       8.172  -0.158  -0.581  1.00  0.00           O  
HETATM   21  C16 UNL     1       6.147   1.109  -0.826  1.00  0.00           C  
HETATM   22  O6  UNL     1       6.896   2.217  -1.187  1.00  0.00           O  
HETATM   23  C17 UNL     1       4.772   1.198  -0.772  1.00  0.00           C  
HETATM   24  H1  UNL     1      -2.141   0.266   2.189  1.00  0.00           H  
HETATM   25  H2  UNL     1      -2.015  -0.591  -0.698  1.00  0.00           H  
HETATM   26  H3  UNL     1      -4.108   0.508   2.297  1.00  0.00           H  
HETATM   27  H4  UNL     1      -6.576   0.757   2.244  1.00  0.00           H  
HETATM   28  H5  UNL     1      -8.753   0.174  -0.547  1.00  0.00           H  
HETATM   29  H6  UNL     1      -7.722  -0.409  -2.163  1.00  0.00           H  
HETATM   30  H7  UNL     1      -4.118  -0.680  -1.771  1.00  0.00           H  
HETATM   31  H8  UNL     1       2.149  -1.761   0.227  1.00  0.00           H  
HETATM   32  H9  UNL     1       2.043   1.132  -0.595  1.00  0.00           H  
HETATM   33  H10 UNL     1       4.116  -1.983   0.176  1.00  0.00           H  
HETATM   34  H11 UNL     1       6.540  -2.075   0.062  1.00  0.00           H  
HETATM   35  H12 UNL     1       8.664  -0.994  -0.371  1.00  0.00           H  
HETATM   36  H13 UNL     1       6.520   3.108  -1.420  1.00  0.00           H  
HETATM   37  H14 UNL     1       4.302   2.137  -1.013  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   13
CONECT    3    4    4   24
CONECT    4    5   25
CONECT    5    6    6   12
CONECT    6    7   26
CONECT    7    8    8   27
CONECT    8    9   10
CONECT    9   28
CONECT   10   11   12   12
CONECT   11   29
CONECT   12   30
CONECT   13   14
CONECT   14   15   15   31
CONECT   15   16   32
CONECT   16   17   17   23
CONECT   17   18   33
CONECT   18   19   19   34
CONECT   19   20   21
CONECT   20   35
CONECT   21   22   23   23
CONECT   22   36
CONECT   23   37
END