COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.408   1.755  -0.440  1.00  0.00           C  
HETATM    2  C   UNL     1       8.453   0.874   0.368  1.00  0.00           C  
HETATM    3  C   UNL     1       7.631   0.030  -0.572  1.00  0.00           C  
HETATM    4  O   UNL     1       7.793   0.124  -1.770  1.00  0.00           O  
HETATM    5  N   UNL     1       6.716  -0.829  -0.080  1.00  0.00           N  
HETATM    6  C   UNL     1       5.754  -1.788  -0.644  1.00  0.00           C  
HETATM    7  C   UNL     1       4.894  -1.581   0.610  1.00  0.00           C  
HETATM    8  C   UNL     1       6.244  -1.224   1.255  1.00  0.00           C  
HETATM    9  N   UNL     1       3.955  -0.460   0.521  1.00  0.00           N  
HETATM   10  C   UNL     1       2.629  -0.694   0.467  1.00  0.00           C  
HETATM   11  O   UNL     1       2.213  -1.833   0.491  1.00  0.00           O  
HETATM   12  C   UNL     1       1.663   0.459   0.375  1.00  0.00           C  
HETATM   13  O   UNL     1       0.326  -0.042   0.330  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.675   0.875   0.247  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.376   2.227   0.209  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.394   3.158   0.124  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.713   2.744   0.077  1.00  0.00           C  
HETATM   18 BR   UNL     1      -4.100   4.025  -0.039  1.00  0.00          Br  
HETATM   19  C   UNL     1      -3.020   1.396   0.114  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.003   0.456   0.193  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.311  -0.909   0.230  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.470  -1.353  -0.296  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.201  -0.585  -0.890  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.850  -2.770  -0.149  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.986  -3.370  -0.623  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.854  -4.715  -0.213  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.830  -5.835  -0.468  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.724  -4.799   0.429  1.00  0.00           N  
HETATM   29  O   UNL     1      -3.148  -3.737   0.472  1.00  0.00           O  
HETATM   30  H   UNL     1      10.002   2.365   0.240  1.00  0.00           H  
HETATM   31  H   UNL     1      10.069   1.124  -1.034  1.00  0.00           H  
HETATM   32  H   UNL     1       8.833   2.403  -1.102  1.00  0.00           H  
HETATM   33  H   UNL     1       9.028   0.227   1.030  1.00  0.00           H  
HETATM   34  H   UNL     1       7.792   1.505   0.962  1.00  0.00           H  
HETATM   35  H   UNL     1       5.278  -1.438  -1.560  1.00  0.00           H  
HETATM   36  H   UNL     1       6.153  -2.799  -0.736  1.00  0.00           H  
HETATM   37  H   UNL     1       4.441  -2.493   0.998  1.00  0.00           H  
HETATM   38  H   UNL     1       6.770  -2.085   1.665  1.00  0.00           H  
HETATM   39  H   UNL     1       6.182  -0.393   1.958  1.00  0.00           H  
HETATM   40  H   UNL     1       4.288   0.451   0.502  1.00  0.00           H  
HETATM   41  H   UNL     1       1.781   1.102   1.248  1.00  0.00           H  
HETATM   42  H   UNL     1       1.867   1.033  -0.529  1.00  0.00           H  
HETATM   43  H   UNL     1       0.653   2.553   0.246  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.159   4.212   0.094  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.050   1.076   0.077  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.690  -1.535   0.634  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.794  -2.920  -1.179  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.581  -6.325  -1.409  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.773  -6.558   0.345  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.840  -5.430  -0.525  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3   33   34                                       
CONECT    3    5    2    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    8    6    3                                            
CONECT    6    7    5   35   36                                       
CONECT    7    8    9    6   37                                       
CONECT    8    7    5   38   39                                       
CONECT    9    7   10   40                                            
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   41   42                                       
CONECT   13   14   12                                                 
CONECT   14   20   13   15   15                                       
CONECT   15   14   14   16   43                                       
CONECT   16   17   17   15   44                                       
CONECT   17   19   18   16   16                                       
CONECT   18   17                                                      
CONECT   19   20   20   17   45                                       
CONECT   20   21   19   19   14                                       
CONECT   21   22   20   46                                            
CONECT   22   24   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   29   25   25   22                                       
CONECT   25   26   24   24   47                                       
CONECT   26   27   28   28   25                                       
CONECT   27   26   48   49   50                                       
CONECT   28   26   26   29                                            
CONECT   29   28   24                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
