COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.854  -1.427  -1.218  1.00  0.00           O  
HETATM    2  C   UNL     1       1.782  -0.850  -0.685  1.00  0.00           C  
HETATM    3  N   UNL     1       2.823  -1.555  -0.198  1.00  0.00           N  
HETATM    4  O   UNL     1       2.835  -2.967  -0.307  1.00  0.00           O  
HETATM    5  C   UNL     1       4.052  -3.417   0.293  1.00  0.00           C  
HETATM    6  C   UNL     1       4.128  -4.943   0.208  1.00  0.00           C  
HETATM    7  C   UNL     1       5.368  -5.434   0.959  1.00  0.00           C  
HETATM    8  O   UNL     1       5.377  -6.862   0.979  1.00  0.00           O  
HETATM    9  O   UNL     1       4.213  -5.340  -1.162  1.00  0.00           O  
HETATM   10  C   UNL     1       1.770   0.618  -0.571  1.00  0.00           C  
HETATM   11  C   UNL     1       2.781   1.277   0.135  1.00  0.00           C  
HETATM   12  C   UNL     1       2.765   2.650   0.239  1.00  0.00           C  
HETATM   13 BR   UNL     1       4.134   3.538   1.195  1.00  0.00          Br  
HETATM   14  C   UNL     1       1.748   3.387  -0.356  1.00  0.00           C  
HETATM   15  F   UNL     1       1.742   4.734  -0.248  1.00  0.00           F  
HETATM   16  C   UNL     1       0.741   2.749  -1.058  1.00  0.00           C  
HETATM   17  F   UNL     1      -0.244   3.472  -1.634  1.00  0.00           F  
HETATM   18  C   UNL     1       0.746   1.364  -1.176  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.265   0.719  -1.882  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.465   0.391  -1.242  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.522  -0.140  -1.974  1.00  0.00           C  
HETATM   22  F   UNL     1      -2.390  -0.344  -3.303  1.00  0.00           F  
HETATM   23  C   UNL     1      -1.605   0.599   0.123  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.791   0.274   0.752  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.840  -0.259   0.024  1.00  0.00           C  
HETATM   26  I   UNL     1      -5.636  -0.750   0.983  1.00  0.00           I  
HETATM   27  C   UNL     1      -3.705  -0.467  -1.337  1.00  0.00           C  
HETATM   28  H   UNL     1       3.564  -1.095   0.228  1.00  0.00           H  
HETATM   29  H   UNL     1       4.077  -3.109   1.338  1.00  0.00           H  
HETATM   30  H   UNL     1       4.900  -2.980  -0.234  1.00  0.00           H  
HETATM   31  H   UNL     1       3.235  -5.377   0.657  1.00  0.00           H  
HETATM   32  H   UNL     1       5.347  -5.056   1.981  1.00  0.00           H  
HETATM   33  H   UNL     1       6.264  -5.071   0.456  1.00  0.00           H  
HETATM   34  H   UNL     1       6.172  -7.130   1.460  1.00  0.00           H  
HETATM   35  H   UNL     1       5.015  -4.935  -1.521  1.00  0.00           H  
HETATM   36  H   UNL     1       3.574   0.710   0.599  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.137   0.497  -2.817  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.787   1.014   0.693  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.900   0.436   1.814  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.525  -0.883  -1.903  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    2    4   28                                            
CONECT    4    3    5                                                 
CONECT    5    4    6   29   30                                       
CONECT    6    5    7    9   31                                       
CONECT    7    6    8   32   33                                       
CONECT    8    7   34                                                 
CONECT    9    6   35                                                 
CONECT   10    2   11   11   18                                       
CONECT   11   10   10   12   36                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12                                                      
CONECT   14   12   12   15   16                                       
CONECT   15   14                                                      
CONECT   16   14   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   10   16   16   19                                       
CONECT   19   18   20   37                                            
CONECT   20   19   21   21   23                                       
CONECT   21   20   20   22   27                                       
CONECT   22   21                                                      
CONECT   23   20   24   24   38                                       
CONECT   24   23   23   25   39                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25                                                      
CONECT   27   21   25   25   40                                       
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   19                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   27                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
