COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -0.263   0.066   0.988  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.991   0.097   0.545  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.606   0.073   1.791  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.788   0.027   2.889  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.438   0.019   2.713  1.00  0.00           C  
HETATM    6  I   UNL     1       1.064  -0.036   4.171  1.00  0.00           I  
HETATM    7  C   UNL     1      -2.602   0.141  -0.783  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.804   0.297  -0.896  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.759  -0.004  -1.989  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.306   0.204  -3.256  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.514   0.067  -4.377  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.179  -0.276  -4.248  1.00  0.00           C  
HETATM   13  C   UNL     1       0.367  -0.490  -2.995  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.412  -0.351  -1.866  1.00  0.00           C  
HETATM   15  C   UNL     1       0.679  -0.423  -5.477  1.00  0.00           C  
HETATM   16  C   UNL     1       1.230  -1.849  -5.546  1.00  0.00           C  
HETATM   17  C   UNL     1       1.823   0.554  -5.410  1.00  0.00           C  
HETATM   18  O   UNL     1       1.930   1.296  -4.462  1.00  0.00           O  
HETATM   19  O   UNL     1       2.724   0.603  -6.405  1.00  0.00           O  
HETATM   20  H   UNL     1      -3.682   0.082   1.889  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.209   0.003   3.884  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.347   0.473  -3.359  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.935   0.229  -5.358  1.00  0.00           H  
HETATM   24  H   UNL     1       1.408  -0.759  -2.901  1.00  0.00           H  
HETATM   25  H   UNL     1       0.016  -0.515  -0.888  1.00  0.00           H  
HETATM   26  H   UNL     1       0.080  -0.222  -6.365  1.00  0.00           H  
HETATM   27  H   UNL     1       1.829  -2.050  -4.657  1.00  0.00           H  
HETATM   28  H   UNL     1       0.403  -2.557  -5.594  1.00  0.00           H  
HETATM   29  H   UNL     1       1.852  -1.955  -6.435  1.00  0.00           H  
HETATM   30  H   UNL     1       3.458   1.231  -6.362  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   20                                       
CONECT    4    3    5    5   21                                       
CONECT    5    1    4    4    6                                       
CONECT    6    5                                                      
CONECT    7    2    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   10   14                                       
CONECT   10    9    9   11   22                                       
CONECT   11   10   12   12   23                                       
CONECT   12   11   11   13   15                                       
CONECT   13   12   14   14   24                                       
CONECT   14    9   13   13   25                                       
CONECT   15   12   16   17   26                                       
CONECT   16   15   27   28   29                                       
CONECT   17   15   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   30                                                 
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
CONECT   30   19                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
