COMPND    HMDB0028781
HETATM    1  C1  UNL     1       3.691   1.050   2.225  1.00  0.00           C  
HETATM    2  S1  UNL     1       4.239   0.562   0.583  1.00  0.00           S  
HETATM    3  C2  UNL     1       3.091  -0.751   0.004  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.750  -0.104  -0.165  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.652  -1.024  -0.622  1.00  0.00           C  
HETATM    6  N1  UNL     1      -0.583  -0.282  -0.741  1.00  0.00           N  
HETATM    7  C5  UNL     1      -1.718  -0.559   0.047  1.00  0.00           C  
HETATM    8  O1  UNL     1      -1.669  -1.507   0.910  1.00  0.00           O  
HETATM    9  C6  UNL     1      -2.986   0.181  -0.054  1.00  0.00           C  
HETATM   10  N2  UNL     1      -3.961  -0.340   0.882  1.00  0.00           N  
HETATM   11  C7  UNL     1      -2.835   1.651   0.250  1.00  0.00           C  
HETATM   12  S2  UNL     1      -4.434   2.496   0.106  1.00  0.00           S  
HETATM   13  C8  UNL     1       0.955  -1.781  -1.848  1.00  0.00           C  
HETATM   14  O2  UNL     1       0.196  -1.723  -2.878  1.00  0.00           O  
HETATM   15  O3  UNL     1       2.054  -2.604  -2.003  1.00  0.00           O  
HETATM   16  H1  UNL     1       3.874   2.143   2.378  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.301   0.527   3.013  1.00  0.00           H  
HETATM   18  H3  UNL     1       2.622   0.873   2.402  1.00  0.00           H  
HETATM   19  H4  UNL     1       3.055  -1.542   0.767  1.00  0.00           H  
HETATM   20  H5  UNL     1       3.475  -1.183  -0.946  1.00  0.00           H  
HETATM   21  H6  UNL     1       1.431   0.373   0.791  1.00  0.00           H  
HETATM   22  H7  UNL     1       1.797   0.748  -0.905  1.00  0.00           H  
HETATM   23  H8  UNL     1       0.474  -1.798   0.184  1.00  0.00           H  
HETATM   24  H9  UNL     1      -0.612   0.474  -1.435  1.00  0.00           H  
HETATM   25  H10 UNL     1      -3.438   0.123  -1.086  1.00  0.00           H  
HETATM   26  H11 UNL     1      -4.928  -0.076   0.673  1.00  0.00           H  
HETATM   27  H12 UNL     1      -3.667  -0.204   1.859  1.00  0.00           H  
HETATM   28  H13 UNL     1      -2.126   2.177  -0.384  1.00  0.00           H  
HETATM   29  H14 UNL     1      -2.524   1.744   1.331  1.00  0.00           H  
HETATM   30  H15 UNL     1      -4.255   3.891   0.155  1.00  0.00           H  
HETATM   31  H16 UNL     1       2.080  -3.534  -1.608  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3
CONECT    3    4   19   20
CONECT    4    5   21   22
CONECT    5    6   13   23
CONECT    6    7   24
CONECT    7    8    8    9
CONECT    9   10   11   25
CONECT   10   26   27
CONECT   11   12   28   29
CONECT   12   30
CONECT   13   14   14   15
CONECT   15   31
END