COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.151   0.433   0.325  1.00  0.00           C  
HETATM    2  C   UNL     1       1.664  -0.338   1.171  1.00  0.00           C  
HETATM    3  C   UNL     1       1.919   0.993  -0.808  1.00  0.00           C  
HETATM    4  C   UNL     1       1.131   2.000   1.221  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.289   1.685   0.827  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.065   0.875   1.636  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.366   0.583   1.279  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.897   1.105   0.102  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.111   1.920  -0.710  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.813   2.211  -0.341  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.295   0.794  -0.287  1.00  0.00           C  
HETATM   12  C   UNL     1       6.389  -0.133  -0.874  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.166   1.821  -0.647  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.465   1.526  -1.008  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.904   0.213  -1.013  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.045  -0.810  -0.656  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.740  -0.527  -0.299  1.00  0.00           C  
HETATM   18  C   UNL     1       7.096   0.120  -2.207  1.00  0.00           C  
HETATM   19  C   UNL     1       5.919  -1.590  -0.685  1.00  0.00           C  
HETATM   20  C   UNL     1       5.595  -1.871   0.789  1.00  0.00           C  
HETATM   21  C   UNL     1       4.672  -0.802   1.320  1.00  0.00           C  
HETATM   22  C   UNL     1       4.330   0.203   0.547  1.00  0.00           C  
HETATM   23  C   UNL     1       4.891   0.223  -0.886  1.00  0.00           C  
HETATM   24  C   UNL     1       4.692  -1.181  -1.518  1.00  0.00           C  
HETATM   25  C   UNL     1       3.417   1.295   1.041  1.00  0.00           C  
HETATM   26  N   UNL     1       2.033   0.988   0.656  1.00  0.00           N1+
HETATM   27 BR   UNL     1      -3.564  -1.928   0.180  1.00  0.00          Br  
HETATM   28  H   UNL     1       7.194   1.519   0.249  1.00  0.00           H  
HETATM   29  H   UNL     1       6.639   0.153   1.246  1.00  0.00           H  
HETATM   30  H   UNL     1       8.163   0.029   0.336  1.00  0.00           H  
HETATM   31  H   UNL     1       2.348  -1.086   0.770  1.00  0.00           H  
HETATM   32  H   UNL     1       1.727  -0.335   2.259  1.00  0.00           H  
HETATM   33  H   UNL     1       0.645  -0.576   0.866  1.00  0.00           H  
HETATM   34  H   UNL     1       0.892   0.765  -1.094  1.00  0.00           H  
HETATM   35  H   UNL     1       2.192   1.977  -1.190  1.00  0.00           H  
HETATM   36  H   UNL     1       2.588   0.242  -1.227  1.00  0.00           H  
HETATM   37  H   UNL     1       1.404   2.984   0.839  1.00  0.00           H  
HETATM   38  H   UNL     1       1.215   1.996   2.308  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.653   0.470   2.548  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.971  -0.050   1.912  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.517   2.328  -1.624  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.204   2.846  -0.966  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.825   2.845  -0.644  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.140   2.321  -1.287  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.921  -0.012  -1.296  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.393  -1.832  -0.660  1.00  0.00           H  
HETATM   47  H   UNL     1       8.137  -0.194  -2.132  1.00  0.00           H  
HETATM   48  H   UNL     1       6.602  -0.447  -2.995  1.00  0.00           H  
HETATM   49  H   UNL     1       7.054   1.184  -2.444  1.00  0.00           H  
HETATM   50  H   UNL     1       6.557  -2.343  -1.147  1.00  0.00           H  
HETATM   51  H   UNL     1       5.111  -2.844   0.875  1.00  0.00           H  
HETATM   52  H   UNL     1       6.518  -1.874   1.369  1.00  0.00           H  
HETATM   53  H   UNL     1       4.293  -0.863   2.330  1.00  0.00           H  
HETATM   54  H   UNL     1       4.597   1.088  -1.482  1.00  0.00           H  
HETATM   55  H   UNL     1       4.861  -1.208  -2.595  1.00  0.00           H  
HETATM   56  H   UNL     1       3.769  -1.675  -1.217  1.00  0.00           H  
HETATM   57  H   UNL     1       3.485   1.363   2.127  1.00  0.00           H  
HETATM   58  H   UNL     1       3.714   2.246   0.598  1.00  0.00           H  
CONECT    1   12   28   29   30                                       
CONECT    2   26   31   32   33                                       
CONECT    3   26   34   35   36                                       
CONECT    4   26    5   37   38                                       
CONECT    5    4   10   10    6                                       
CONECT    6    5    7    7   39                                       
CONECT    7    6    6    8   40                                       
CONECT    8    9    9    7   11                                       
CONECT    9   10    8    8   41                                       
CONECT   10    5    5    9   42                                       
CONECT   11    8   17   17   13                                       
CONECT   12   19   23   18    1                                       
CONECT   13   11   14   14   43                                       
CONECT   14   13   13   15   44                                       
CONECT   15   16   16   14   45                                       
CONECT   16   17   15   15   46                                       
CONECT   17   27   11   11   16                                       
CONECT   18   12   47   48   49                                       
CONECT   19   24   20   12   50                                       
CONECT   20   19   21   51   52                                       
CONECT   21   20   22   22   53                                       
CONECT   22   21   21   23   25                                       
CONECT   23   24   22   12   54                                       
CONECT   24   19   23   55   56                                       
CONECT   25   26   22   57   58                                       
CONECT   26    3    2   25    4                                       
CONECT   27   17                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
