COMPND    HMDB0259653
HETATM    1  O1  UNL     1      -0.335  -0.587   2.652  1.00  0.00           O  
HETATM    2  S1  UNL     1      -0.380   0.374   1.518  1.00  0.00           S  
HETATM    3  O2  UNL     1       0.038   1.722   2.032  1.00  0.00           O  
HETATM    4  C1  UNL     1      -1.953   0.454   0.761  1.00  0.00           C  
HETATM    5  C2  UNL     1      -2.661   1.572   1.196  1.00  0.00           C  
HETATM    6  C3  UNL     1      -3.928   1.830   0.730  1.00  0.00           C  
HETATM    7  C4  UNL     1      -4.462   0.943  -0.179  1.00  0.00           C  
HETATM    8  C5  UNL     1      -3.763  -0.167  -0.612  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.486  -0.426  -0.141  1.00  0.00           C  
HETATM   10  C7  UNL     1      -1.898  -1.642  -0.711  1.00  0.00           C  
HETATM   11  C8  UNL     1      -0.629  -1.949  -0.938  1.00  0.00           C  
HETATM   12  C9  UNL     1       0.592  -1.157  -0.684  1.00  0.00           C  
HETATM   13  C10 UNL     1       1.609  -1.483  -1.568  1.00  0.00           C  
HETATM   14  C11 UNL     1       2.819  -0.837  -1.474  1.00  0.00           C  
HETATM   15  C12 UNL     1       2.985   0.131  -0.486  1.00  0.00           C  
HETATM   16  C13 UNL     1       4.299   0.827  -0.391  1.00  0.00           C  
HETATM   17  O3  UNL     1       5.086   0.065   0.488  1.00  0.00           O  
HETATM   18  C14 UNL     1       1.979   0.459   0.394  1.00  0.00           C  
HETATM   19  C15 UNL     1       0.761  -0.197   0.294  1.00  0.00           C  
HETATM   20  H1  UNL     1      -2.253   2.277   1.910  1.00  0.00           H  
HETATM   21  H2  UNL     1      -4.492   2.713   1.071  1.00  0.00           H  
HETATM   22  H3  UNL     1      -5.460   1.143  -0.548  1.00  0.00           H  
HETATM   23  H4  UNL     1      -4.175  -0.878  -1.332  1.00  0.00           H  
HETATM   24  H5  UNL     1      -2.630  -2.377  -0.980  1.00  0.00           H  
HETATM   25  H6  UNL     1      -0.389  -2.910  -1.374  1.00  0.00           H  
HETATM   26  H7  UNL     1       1.471  -2.229  -2.322  1.00  0.00           H  
HETATM   27  H8  UNL     1       3.660  -1.037  -2.128  1.00  0.00           H  
HETATM   28  H9  UNL     1       4.106   1.826   0.046  1.00  0.00           H  
HETATM   29  H10 UNL     1       4.784   0.959  -1.370  1.00  0.00           H  
HETATM   30  H11 UNL     1       5.610  -0.615  -0.039  1.00  0.00           H  
HETATM   31  H12 UNL     1       2.093   1.197   1.153  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    3    4   19
CONECT    4    5    5    9
CONECT    5    6   20
CONECT    6    7    7   21
CONECT    7    8   22
CONECT    8    9    9   23
CONECT    9   10
CONECT   10   11   11   24
CONECT   11   12   25
CONECT   12   13   13   19
CONECT   13   14   26
CONECT   14   15   15   27
CONECT   15   16   18
CONECT   16   17   28   29
CONECT   17   30
CONECT   18   19   19   31
END