COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      21.549   7.155   5.287  1.00  0.00           C  
HETATM    2  C   UNL     1      23.777   7.150   5.838  1.00  0.00           C  
HETATM    3  N   UNL     1      23.597   6.949   4.538  1.00  0.00           N  
HETATM    4  C   UNL     1      21.799   6.904  10.183  1.00  0.00           C  
HETATM    5  C   UNL     1      21.468   8.214  10.510  1.00  0.00           C  
HETATM    6  C   UNL     1      21.467   9.194   9.526  1.00  0.00           C  
HETATM    7  C   UNL     1      21.798   8.862   8.218  1.00  0.00           C  
HETATM    8  C   UNL     1      22.125   7.554   7.891  1.00  0.00           C  
HETATM    9  C   UNL     1      22.129   6.568   8.872  1.00  0.00           C  
HETATM   10  C   UNL     1      22.480   7.282   6.407  1.00  0.00           C  
HETATM   11  C   UNL     1      21.626   6.781   2.991  1.00  0.00           C  
HETATM   12  C   UNL     1      19.578   7.038   4.036  1.00  0.00           C  
HETATM   13  C   UNL     1      18.050   7.088   3.948  1.00  0.00           C  
HETATM   14  C   UNL     1      25.111   7.211   6.582  1.00  0.00           C  
HETATM   15  C   UNL     1      23.809   6.951   1.624  1.00  0.00           C  
HETATM   16  C   UNL     1      21.735   5.969   0.565  1.00  0.00           C  
HETATM   17  C   UNL     1      21.143   4.590   0.905  1.00  0.00           C  
HETATM   18  C   UNL     1      21.502   3.547  -0.166  1.00  0.00           C  
HETATM   19  C   UNL     1      21.956   2.219   0.444  1.00  0.00           C  
HETATM   20  C   UNL     1      23.979   8.439   1.994  1.00  0.00           C  
HETATM   21  C   UNL     1      24.139   9.356   0.772  1.00  0.00           C  
HETATM   22  C   UNL     1      24.572  10.776   1.159  1.00  0.00           C  
HETATM   23  C   UNL     1      21.634   4.297   9.179  1.00  0.00           C  
HETATM   24  C   UNL     1      21.716  11.155   7.631  1.00  0.00           C  
HETATM   25  F   UNL     1      21.792   1.223  -0.475  1.00  0.00           F  
HETATM   26  F   UNL     1      23.272   2.299   0.796  1.00  0.00           F  
HETATM   27  F   UNL     1      21.204   1.943   1.548  1.00  0.00           F  
HETATM   28  F   UNL     1      25.936  10.848   1.194  1.00  0.00           F  
HETATM   29  F   UNL     1      24.100  11.667   0.236  1.00  0.00           F  
HETATM   30  F   UNL     1      24.072  11.094   2.388  1.00  0.00           F  
HETATM   31  N   UNL     1      22.260   6.954   4.208  1.00  0.00           N1+
HETATM   32  N   UNL     1      20.304   6.832   2.926  1.00  0.00           N  
HETATM   33  N   UNL     1      20.190   7.201   5.214  1.00  0.00           N  
HETATM   34  N   UNL     1      22.399   6.560   1.734  1.00  0.00           N  
HETATM   35  O   UNL     1      22.458   5.248   8.554  1.00  0.00           O  
HETATM   36  O   UNL     1      21.807   9.821   7.198  1.00  0.00           O  
HETATM   37 BR   UNL     1      21.007   8.681  12.339  1.00  0.00          Br  
HETATM   38  H   UNL     1      21.800   6.143  10.949  1.00  0.00           H  
HETATM   39  H   UNL     1      21.209  10.212   9.777  1.00  0.00           H  
HETATM   40  H   UNL     1      22.434   6.197   6.583  1.00  0.00           H  
HETATM   41  H   UNL     1      17.737   6.936   2.904  1.00  0.00           H  
HETATM   42  H   UNL     1      17.620   6.296   4.579  1.00  0.00           H  
HETATM   43  H   UNL     1      17.695   8.068   4.298  1.00  0.00           H  
HETATM   44  H   UNL     1      25.936   7.060   5.870  1.00  0.00           H  
HETATM   45  H   UNL     1      25.217   8.194   7.064  1.00  0.00           H  
HETATM   46  H   UNL     1      25.140   6.422   7.348  1.00  0.00           H  
HETATM   47  H   UNL     1      24.411   6.335   2.308  1.00  0.00           H  
HETATM   48  H   UNL     1      24.151   6.792   0.591  1.00  0.00           H  
HETATM   49  H   UNL     1      22.469   5.855  -0.246  1.00  0.00           H  
HETATM   50  H   UNL     1      20.925   6.637   0.236  1.00  0.00           H  
HETATM   51  H   UNL     1      20.048   4.676   0.968  1.00  0.00           H  
HETATM   52  H   UNL     1      21.541   4.259   1.875  1.00  0.00           H  
HETATM   53  H   UNL     1      22.316   3.946  -0.789  1.00  0.00           H  
HETATM   54  H   UNL     1      20.616   3.364  -0.792  1.00  0.00           H  
HETATM   55  H   UNL     1      24.873   8.541   2.626  1.00  0.00           H  
HETATM   56  H   UNL     1      23.092   8.762   2.559  1.00  0.00           H  
HETATM   57  H   UNL     1      23.176   9.412   0.244  1.00  0.00           H  
HETATM   58  H   UNL     1      24.899   8.925   0.104  1.00  0.00           H  
HETATM   59  H   UNL     1      21.951   3.286   8.883  1.00  0.00           H  
HETATM   60  H   UNL     1      21.716   4.402  10.271  1.00  0.00           H  
HETATM   61  H   UNL     1      20.590   4.458   8.872  1.00  0.00           H  
HETATM   62  H   UNL     1      21.731  11.826   6.759  1.00  0.00           H  
HETATM   63  H   UNL     1      20.777  11.297   8.186  1.00  0.00           H  
HETATM   64  H   UNL     1      22.568  11.387   8.287  1.00  0.00           H  
CONECT    1   31   31   33   10                                       
CONECT    2    3    3   10   14                                       
CONECT    3   31    2    2                                            
CONECT    4    9    9    5   38                                       
CONECT    5    6    6    4   37                                       
CONECT    6    7    5    5   39                                       
CONECT    7   36    8    8    6                                       
CONECT    8   10    7    7    9                                       
CONECT    9    8   35    4    4                                       
CONECT   10    1    2    8   40                                       
CONECT   11   34   32   32   31                                       
CONECT   12   32   13   33   33                                       
CONECT   13   12   41   42   43                                       
CONECT   14    2   44   45   46                                       
CONECT   15   34   20   47   48                                       
CONECT   16   17   34   49   50                                       
CONECT   17   18   16   51   52                                       
CONECT   18   19   17   53   54                                       
CONECT   19   25   18   26   27                                       
CONECT   20   21   15   55   56                                       
CONECT   21   22   20   57   58                                       
CONECT   22   29   21   28   30                                       
CONECT   23   35   59   60   61                                       
CONECT   24   36   62   63   64                                       
CONECT   25   19                                                      
CONECT   26   19                                                      
CONECT   27   19                                                      
CONECT   28   22                                                      
CONECT   29   22                                                      
CONECT   30   22                                                      
CONECT   31   11    3    1    1                                       
CONECT   32   11   11   12                                            
CONECT   33   12   12    1                                            
CONECT   34   16   15   11                                            
CONECT   35    9   23                                                 
CONECT   36   24    7                                                 
CONECT   37    5                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
