COMPND    HMDB0001132
HETATM    1  O1  UNL     1       5.372  -0.666   1.411  1.00  0.00           O  
HETATM    2  C1  UNL     1       5.342   0.056   0.396  1.00  0.00           C  
HETATM    3  O2  UNL     1       6.486   0.698  -0.014  1.00  0.00           O  
HETATM    4  C2  UNL     1       4.100   0.204  -0.332  1.00  0.00           C  
HETATM    5  C3  UNL     1       4.036   1.000  -1.464  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.826   1.100  -2.113  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.691   0.445  -1.680  1.00  0.00           C  
HETATM    8  N1  UNL     1       1.769  -0.313  -0.596  1.00  0.00           N1+
HETATM    9  C6  UNL     1       0.622  -1.031  -0.083  1.00  0.00           C  
HETATM   10  O3  UNL     1      -0.410  -1.108  -0.979  1.00  0.00           O  
HETATM   11  C7  UNL     1      -1.590  -1.267  -0.313  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.646  -0.264  -0.763  1.00  0.00           C  
HETATM   13  O4  UNL     1      -3.835  -0.487  -0.033  1.00  0.00           O  
HETATM   14  P1  UNL     1      -5.038   0.585  -0.482  1.00  0.00           P  
HETATM   15  O5  UNL     1      -5.421   0.359  -1.946  1.00  0.00           O  
HETATM   16  O6  UNL     1      -4.510   2.193  -0.258  1.00  0.00           O  
HETATM   17  O7  UNL     1      -6.371   0.330   0.518  1.00  0.00           O  
HETATM   18  C9  UNL     1      -1.343  -1.027   1.157  1.00  0.00           C  
HETATM   19  O8  UNL     1      -1.076  -2.229   1.839  1.00  0.00           O  
HETATM   20  C10 UNL     1      -0.004  -0.281   1.092  1.00  0.00           C  
HETATM   21  O9  UNL     1       0.722  -0.420   2.251  1.00  0.00           O  
HETATM   22  C11 UNL     1       2.940  -0.425   0.052  1.00  0.00           C  
HETATM   23  H1  UNL     1       6.639   1.697   0.055  1.00  0.00           H  
HETATM   24  H2  UNL     1       4.924   1.514  -1.803  1.00  0.00           H  
HETATM   25  H3  UNL     1       2.761   1.724  -3.005  1.00  0.00           H  
HETATM   26  H4  UNL     1       0.737   0.525  -2.194  1.00  0.00           H  
HETATM   27  H5  UNL     1       0.919  -2.016   0.310  1.00  0.00           H  
HETATM   28  H6  UNL     1      -1.970  -2.298  -0.502  1.00  0.00           H  
HETATM   29  H7  UNL     1      -2.914  -0.410  -1.830  1.00  0.00           H  
HETATM   30  H8  UNL     1      -2.280   0.760  -0.610  1.00  0.00           H  
HETATM   31  H9  UNL     1      -5.241   2.742   0.110  1.00  0.00           H  
HETATM   32  H10 UNL     1      -6.977   1.125   0.525  1.00  0.00           H  
HETATM   33  H11 UNL     1      -2.108  -0.426   1.647  1.00  0.00           H  
HETATM   34  H12 UNL     1      -1.871  -2.569   2.313  1.00  0.00           H  
HETATM   35  H13 UNL     1      -0.252   0.759   0.839  1.00  0.00           H  
HETATM   36  H14 UNL     1       0.980   0.471   2.610  1.00  0.00           H  
HETATM   37  H15 UNL     1       2.990  -1.052   0.943  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   23
CONECT    4    5    5   22
CONECT    5    6   24
CONECT    6    7    7   25
CONECT    7    8   26
CONECT    8    9   22   22
CONECT    9   10   20   27
CONECT   10   11
CONECT   11   12   18   28
CONECT   12   13   29   30
CONECT   13   14
CONECT   14   15   15   16   17
CONECT   16   31
CONECT   17   32
CONECT   18   19   20   33
CONECT   19   34
CONECT   20   21   35
CONECT   21   36
CONECT   22   37
END