COMPND    HMDB0254471
HETATM    1  O1  UNL     1       5.353   1.782   2.339  1.00  0.00           O  
HETATM    2  C1  UNL     1       5.358   1.965   1.082  1.00  0.00           C  
HETATM    3  O2  UNL     1       6.503   2.522   0.482  1.00  0.00           O  
HETATM    4  C2  UNL     1       4.217   1.621   0.219  1.00  0.00           C  
HETATM    5  N1  UNL     1       3.153   1.070   1.013  1.00  0.00           N  
HETATM    6  C3  UNL     1       1.919   0.644   0.454  1.00  0.00           C  
HETATM    7  O3  UNL     1       1.797   0.774  -0.803  1.00  0.00           O  
HETATM    8  C4  UNL     1       0.884   0.094   1.322  1.00  0.00           C  
HETATM    9  N2  UNL     1      -0.319  -0.300   0.626  1.00  0.00           N  
HETATM   10  C5  UNL     1      -1.094   0.619  -0.119  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.752   1.847  -0.203  1.00  0.00           O  
HETATM   12  C6  UNL     1      -2.333   0.310  -0.861  1.00  0.00           C  
HETATM   13  N3  UNL     1      -2.772  -1.049  -0.808  1.00  0.00           N  
HETATM   14  C7  UNL     1      -3.954  -1.408  -1.500  1.00  0.00           C  
HETATM   15  O5  UNL     1      -4.612  -0.559  -2.149  1.00  0.00           O  
HETATM   16  C8  UNL     1      -4.441  -2.833  -1.462  1.00  0.00           C  
HETATM   17  S1  UNL     1      -5.964  -2.979  -2.433  1.00  0.00           S  
HETATM   18  H1  UNL     1       6.892   3.389   0.843  1.00  0.00           H  
HETATM   19  H2  UNL     1       3.871   2.509  -0.347  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.557   0.843  -0.496  1.00  0.00           H  
HETATM   21  H4  UNL     1       3.286   0.977   2.040  1.00  0.00           H  
HETATM   22  H5  UNL     1       1.261  -0.728   1.964  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.590   0.910   2.046  1.00  0.00           H  
HETATM   24  H7  UNL     1      -0.619  -1.285   0.676  1.00  0.00           H  
HETATM   25  H8  UNL     1      -3.159   0.992  -0.486  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.146   0.535  -1.940  1.00  0.00           H  
HETATM   27  H10 UNL     1      -2.251  -1.759  -0.284  1.00  0.00           H  
HETATM   28  H11 UNL     1      -3.684  -3.503  -1.912  1.00  0.00           H  
HETATM   29  H12 UNL     1      -4.684  -3.131  -0.425  1.00  0.00           H  
HETATM   30  H13 UNL     1      -6.855  -3.867  -1.804  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   18
CONECT    4    5   19   20
CONECT    5    6   21
CONECT    6    7    7    8
CONECT    8    9   22   23
CONECT    9   10   24
CONECT   10   11   11   12
CONECT   12   13   25   26
CONECT   13   14   27
CONECT   14   15   15   16
CONECT   16   17   28   29
CONECT   17   30
END