COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.042   0.749  -1.189  1.00  0.00           N  
HETATM    2  C   UNL     1       0.585   1.868  -0.777  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.363   0.720  -1.822  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.416   0.457  -0.776  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.738   0.132  -0.113  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.808  -1.385   0.155  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.964  -1.841   1.401  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.007   0.673  -0.576  1.00  0.00           C  
HETATM    9  C   UNL     1       0.544  -1.725  -1.168  1.00  0.00           C  
HETATM   10  C   UNL     1       2.685  -2.195  -0.186  1.00  0.00           C  
HETATM   11  O   UNL     1       3.845   2.015   0.676  1.00  0.00           O  
HETATM   12  C   UNL     1       2.762   2.431   0.318  1.00  0.00           C  
HETATM   13  C   UNL     1       2.434   3.895   0.454  1.00  0.00           C  
HETATM   14  F   UNL     1       2.391   4.240   1.809  1.00  0.00           F  
HETATM   15  F   UNL     1       3.418   4.655  -0.189  1.00  0.00           F  
HETATM   16  F   UNL     1       1.190   4.151  -0.132  1.00  0.00           F  
HETATM   17  C   UNL     1       1.806   1.538  -0.229  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.714   0.387  -1.130  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.445  -1.604   1.500  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.650  -0.904   0.389  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.132   0.506   0.466  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.094   0.309   0.384  1.00  0.00           O  
HETATM   23  C   UNL     1       0.733  -0.365  -0.939  1.00  0.00           C  
HETATM   24  C   UNL     1       1.514  -2.627  -0.793  1.00  0.00           C  
HETATM   25 BR   UNL     1       4.003  -3.453   0.320  1.00  0.00          Br  
HETATM   26  C   UNL     1       2.891  -0.852   0.050  1.00  0.00           C  
HETATM   27  C   UNL     1       1.918   0.070  -0.325  1.00  0.00           C  
HETATM   28  H   UNL     1       0.191   2.869  -0.863  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.558   1.680  -2.301  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.390  -0.072  -2.571  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.453   0.639   0.808  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.408  -1.866  -0.618  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.802  -1.805   0.150  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.140  -2.874   1.100  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.881   1.734  -0.793  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.297   0.158  -1.492  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.364  -2.072  -1.640  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.971   0.506  -2.058  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.983  -2.471   1.972  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.481  -1.287  -0.618  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.723  -0.897   0.585  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.737   0.697   1.464  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.939   1.206   0.249  1.00  0.00           H  
HETATM   44  H   UNL     1       1.363  -3.681  -0.973  1.00  0.00           H  
HETATM   45  H   UNL     1       3.802  -0.518   0.523  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.410  -1.683   2.384  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.265  -0.728   2.122  1.00  0.00           H  
CONECT    1   23    3    2                                            
CONECT    2    1   17   17   28                                       
CONECT    3    4    1   29   30                                       
CONECT    4   22   22   18    3                                       
CONECT    5    6    8   18   31                                       
CONECT    6   19    5   32   33                                       
CONECT    7   19   20   34   46                                       
CONECT    8   21    5   35   36                                       
CONECT    9   24   24   23   37                                       
CONECT   10   25   24   26   26                                       
CONECT   11   12   12                                                 
CONECT   12   17   13   11   11                                       
CONECT   13   16   14   12   15                                       
CONECT   14   13                                                      
CONECT   15   13                                                      
CONECT   16   13                                                      
CONECT   17   27    2    2   12                                       
CONECT   18    5    4   38                                            
CONECT   19    7    6   39   47                                       
CONECT   20    7   21   40   41                                       
CONECT   21   20    8   42   43                                       
CONECT   22    4    4                                                 
CONECT   23    9   27   27    1                                       
CONECT   24   10    9    9   44                                       
CONECT   25   10                                                      
CONECT   26   10   10   27   45                                       
CONECT   27   26   23   23   17                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
CONECT   46    7                                                      
CONECT   47   19                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
