COMPND    HMDB0259004
HETATM    1  C1  UNL     1       3.077  -1.087   0.565  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.955  -0.433  -0.271  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.730  -0.505   0.574  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.007   0.236   1.860  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.519  -0.011  -0.117  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.289   1.443  -0.551  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.522   1.982  -1.258  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.650  -0.050   0.853  1.00  0.00           C  
HETATM    9  O1  UNL     1      -1.572   0.658   2.065  1.00  0.00           O  
HETATM   10  N1  UNL     1      -2.728  -0.695   0.674  1.00  0.00           N  
HETATM   11  C9  UNL     1      -2.964  -1.462  -0.511  1.00  0.00           C  
HETATM   12  S1  UNL     1      -4.350  -2.290  -0.732  1.00  0.00           S  
HETATM   13  N2  UNL     1      -1.919  -1.438  -1.445  1.00  0.00           N  
HETATM   14  C10 UNL     1      -0.817  -0.796  -1.297  1.00  0.00           C  
HETATM   15  O2  UNL     1       0.122  -0.895  -2.384  1.00  0.00           O  
HETATM   16  H1  UNL     1       3.693  -1.657  -0.178  1.00  0.00           H  
HETATM   17  H2  UNL     1       3.722  -0.304   0.984  1.00  0.00           H  
HETATM   18  H3  UNL     1       2.643  -1.747   1.331  1.00  0.00           H  
HETATM   19  H4  UNL     1       2.293   0.636  -0.419  1.00  0.00           H  
HETATM   20  H5  UNL     1       1.893  -0.918  -1.243  1.00  0.00           H  
HETATM   21  H6  UNL     1       0.511  -1.565   0.858  1.00  0.00           H  
HETATM   22  H7  UNL     1       2.090   0.044   2.122  1.00  0.00           H  
HETATM   23  H8  UNL     1       0.465  -0.221   2.739  1.00  0.00           H  
HETATM   24  H9  UNL     1       0.924   1.316   1.795  1.00  0.00           H  
HETATM   25  H10 UNL     1       0.550   1.523  -1.267  1.00  0.00           H  
HETATM   26  H11 UNL     1      -0.093   2.119   0.282  1.00  0.00           H  
HETATM   27  H12 UNL     1      -1.239   2.827  -1.920  1.00  0.00           H  
HETATM   28  H13 UNL     1      -2.272   2.359  -0.548  1.00  0.00           H  
HETATM   29  H14 UNL     1      -1.947   1.202  -1.954  1.00  0.00           H  
HETATM   30  H15 UNL     1      -2.044   1.572   2.121  1.00  0.00           H  
HETATM   31  H16 UNL     1       0.251  -1.847  -2.728  1.00  0.00           H  
CONECT    1    2   16   17   18
CONECT    2    3   19   20
CONECT    3    4    5   21
CONECT    4   22   23   24
CONECT    5    6    8   14
CONECT    6    7   25   26
CONECT    7   27   28   29
CONECT    8    9   10   10
CONECT    9   30
CONECT   10   11
CONECT   11   12   12   13
CONECT   13   14   14
CONECT   14   15
CONECT   15   31
END