COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.564  -2.318  -1.195  1.00  0.00           N  
HETATM    2  O   UNL     1       0.597  -2.348   1.027  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.472   1.443   0.214  1.00  0.00           O  
HETATM    4  F   UNL     1       4.815   0.976  -2.345  1.00  0.00           F  
HETATM    5  F   UNL     1       4.910   0.780   2.388  1.00  0.00           F  
HETATM    6 BR   UNL     1       9.170  -0.844  -0.136  1.00  0.00          Br  
HETATM    7  C   UNL     1       6.750   0.163  -1.245  1.00  0.00           C  
HETATM    8  C   UNL     1       6.798   0.065   1.148  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.059  -0.728   0.197  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.387   0.028   0.256  1.00  0.00           C  
HETATM   11  C   UNL     1     -13.182  -0.368   0.033  1.00  0.00           C  
HETATM   12  C   UNL     1     -12.629   0.393  -1.194  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.901   0.272   0.215  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.545  -0.972   0.238  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.955  -1.178   0.520  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.103   0.429  -0.991  1.00  0.00           C  
HETATM   17  C   UNL     1       3.448   1.444   0.073  1.00  0.00           C  
HETATM   18  N   UNL     1       0.804   1.943   0.148  1.00  0.00           N  
HETATM   19  N   UNL     1      -4.629  -0.452   0.159  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.295  -0.438   0.112  1.00  0.00           N  
HETATM   21  O   UNL     1       2.505   0.371   0.048  1.00  0.00           O  
HETATM   22  S   UNL     1      -0.889   1.966   0.183  1.00  0.00           S  
HETATM   23  C   UNL     1       0.461  -1.706   0.002  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.466   0.228   0.163  1.00  0.00           C  
HETATM   25  C   UNL     1       7.416  -0.142  -0.072  1.00  0.00           C  
HETATM   26  C   UNL     1       5.465   0.677  -1.199  1.00  0.00           C  
HETATM   27  C   UNL     1       5.513   0.578   1.196  1.00  0.00           C  
HETATM   28  C   UNL     1       1.189   0.705   0.088  1.00  0.00           C  
HETATM   29  C   UNL     1       4.847   0.884   0.022  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.099   0.261   0.116  1.00  0.00           C  
HETATM   31  C   UNL     1       0.185  -0.267   0.068  1.00  0.00           C  
HETATM   32  N   UNL     1     -10.821  -0.246   0.294  1.00  0.00           N  
HETATM   33  H   UNL     1       0.747  -3.270  -1.239  1.00  0.00           H  
HETATM   34  H   UNL     1       0.452  -1.808  -2.012  1.00  0.00           H  
HETATM   35  H   UNL     1       7.234   0.006  -2.197  1.00  0.00           H  
HETATM   36  H   UNL     1       7.318  -0.175   2.064  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.980  -1.391   1.059  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.016  -1.317  -0.719  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.430   0.617   1.172  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.467   0.691  -0.606  1.00  0.00           H  
HETATM   41  H   UNL     1     -13.514   0.330   0.802  1.00  0.00           H  
HETATM   42  H   UNL     1     -13.995  -1.033  -0.260  1.00  0.00           H  
HETATM   43  H   UNL     1     -12.876  -0.140  -2.113  1.00  0.00           H  
HETATM   44  H   UNL     1     -13.031   1.405  -1.225  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.980   0.935  -0.647  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.944   0.861   1.131  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.502  -1.561  -0.678  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.466  -1.635   1.100  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.049  -1.420   1.579  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.832  -2.084  -0.073  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.607  -0.099  -1.805  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.758   1.463  -0.955  1.00  0.00           H  
HETATM   53  H   UNL     1       3.284   2.092  -0.787  1.00  0.00           H  
HETATM   54  H   UNL     1       3.320   2.018   0.991  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.624  -1.421   0.119  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.290  -1.408   0.072  1.00  0.00           H  
CONECT    1   23   33   34                                            
CONECT    2   23   23                                                 
CONECT    3   24   24                                                 
CONECT    4   26                                                      
CONECT    5   27                                                      
CONECT    6   25                                                      
CONECT    7   26   26   25   35                                       
CONECT    8   25   25   27   36                                       
CONECT    9   13   10   37   38                                       
CONECT   10    9   14   39   40                                       
CONECT   11   15   12   41   42                                       
CONECT   12   11   16   43   44                                       
CONECT   13    9   19   45   46                                       
CONECT   14   10   32   47   48                                       
CONECT   15   11   32   49   50                                       
CONECT   16   12   32   51   52                                       
CONECT   17   21   29   53   54                                       
CONECT   18   28   28   22                                            
CONECT   19   13   24   55                                            
CONECT   20   24   30   56                                            
CONECT   21   17   28                                                 
CONECT   22   18   30                                                 
CONECT   23    1    2    2   31                                       
CONECT   24    3    3   19   20                                       
CONECT   25    6    7    8    8                                       
CONECT   26    4    7    7   29                                       
CONECT   27    5    8   29   29                                       
CONECT   28   18   18   21   31                                       
CONECT   29   17   26   27   27                                       
CONECT   30   20   22   31   31                                       
CONECT   31   23   28   30   30                                       
CONECT   32   14   15   16                                            
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
