COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.962   2.702  -2.869  1.00  0.00           C  
HETATM    2  C   UNL     1       5.605   2.961  -2.697  1.00  0.00           C  
HETATM    3  C   UNL     1       5.272   2.631  -1.419  1.00  0.00           C  
HETATM    4  C   UNL     1       3.898   2.755  -0.814  1.00  0.00           C  
HETATM    5  C   UNL     1       3.079   1.505  -1.146  1.00  0.00           C  
HETATM    6  C   UNL     1       1.705   1.630  -0.541  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.496   0.832  -0.094  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.375  -0.386  -0.385  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.001  -2.324  -0.493  1.00  0.00           C  
HETATM   10  C   UNL     1       0.357  -1.930  -1.774  1.00  0.00           C  
HETATM   11  C   UNL     1       1.190  -2.724  -2.541  1.00  0.00           C  
HETATM   12  C   UNL     1       1.672  -3.918  -2.037  1.00  0.00           C  
HETATM   13  C   UNL     1       1.317  -4.324  -0.746  1.00  0.00           C  
HETATM   14  C   UNL     1       1.829  -5.596  -0.203  1.00  0.00           C  
HETATM   15  B   UNL     1       6.602   1.669   0.625  1.00  0.00           B1-
HETATM   16  C   UNL     1      11.522   0.741  -0.053  1.00  0.00           C  
HETATM   17  C   UNL     1      10.176   0.840   0.617  1.00  0.00           C  
HETATM   18  C   UNL     1       9.878   0.500   1.905  1.00  0.00           C  
HETATM   19  C   UNL     1       8.518   0.755   2.093  1.00  0.00           C  
HETATM   20  C   UNL     1       7.754   0.524   3.372  1.00  0.00           C  
HETATM   21  C   UNL     1       8.972   1.305   0.035  1.00  0.00           C  
HETATM   22  C   UNL     1       8.700   1.778  -1.249  1.00  0.00           C  
HETATM   23  C   UNL     1       7.438   2.205  -1.656  1.00  0.00           C  
HETATM   24  C   UNL     1       0.480  -3.515   0.028  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.765  -0.139   0.142  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.878   0.296   0.239  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.265   0.621  -0.174  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.346   0.081   0.520  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.635   0.387   0.131  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.854   1.229  -0.944  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.263   1.555  -1.367  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.785   1.768  -1.636  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.492   1.474  -1.253  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.442   0.094   1.508  1.00  0.00           C  
HETATM   35  F   UNL     1       2.484  -4.691  -2.790  1.00  0.00           F  
HETATM   36  F   UNL     1       0.131  -3.899   1.276  1.00  0.00           F  
HETATM   37  F   UNL     1     -10.295   2.832  -1.936  1.00  0.00           F  
HETATM   38  F   UNL     1     -10.698   0.614  -2.307  1.00  0.00           F  
HETATM   39  F   UNL     1     -11.105   1.521  -0.250  1.00  0.00           F  
HETATM   40  F   UNL     1       5.765   0.606   0.836  1.00  0.00           F  
HETATM   41  F   UNL     1       6.241   2.664   1.495  1.00  0.00           F  
HETATM   42  N   UNL     1       8.011   1.230   0.978  1.00  0.00           N1+
HETATM   43  N   UNL     1       1.133  -6.736  -0.385  1.00  0.00           N  
HETATM   44  N   UNL     1      -3.809   0.141  -0.583  1.00  0.00           N  
HETATM   45  N   UNL     1       6.366   2.174  -0.784  1.00  0.00           N  
HETATM   46  O   UNL     1       1.410   2.617   0.090  1.00  0.00           O  
HETATM   47  O   UNL     1       0.808   0.644  -0.704  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.821  -1.537   0.255  1.00  0.00           O  
HETATM   49  O   UNL     1       2.879  -5.617   0.411  1.00  0.00           O  
HETATM   50  O   UNL     1      -3.125  -0.178   1.433  1.00  0.00           O  
HETATM   51 BR   UNL     1      -5.485   0.178   3.083  1.00  0.00          Br  
HETATM   52  H   UNL     1       7.536   2.854  -3.771  1.00  0.00           H  
HETATM   53  H   UNL     1       4.935   3.356  -3.446  1.00  0.00           H  
HETATM   54  H   UNL     1       3.985   2.856   0.267  1.00  0.00           H  
HETATM   55  H   UNL     1       3.399   3.634  -1.222  1.00  0.00           H  
HETATM   56  H   UNL     1       2.993   1.405  -2.228  1.00  0.00           H  
HETATM   57  H   UNL     1       3.578   0.626  -0.738  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.965   1.726  -0.506  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.380   0.947   0.984  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.419  -0.553  -1.461  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.016  -0.999  -2.174  1.00  0.00           H  
HETATM   62  H   UNL     1       1.464  -2.411  -3.538  1.00  0.00           H  
HETATM   63  H   UNL     1      12.252   0.347   0.654  1.00  0.00           H  
HETATM   64  H   UNL     1      11.452   0.075  -0.912  1.00  0.00           H  
HETATM   65  H   UNL     1      11.836   1.731  -0.386  1.00  0.00           H  
HETATM   66  H   UNL     1      10.565   0.108   2.640  1.00  0.00           H  
HETATM   67  H   UNL     1       8.428   0.125   4.130  1.00  0.00           H  
HETATM   68  H   UNL     1       7.334   1.467   3.720  1.00  0.00           H  
HETATM   69  H   UNL     1       6.949  -0.188   3.190  1.00  0.00           H  
HETATM   70  H   UNL     1       9.509   1.815  -1.964  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.176  -0.577   1.359  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.473  -0.032   0.668  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.962   2.425  -2.475  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.658   1.895  -1.794  1.00  0.00           H  
HETATM   75  H   UNL     1       0.296  -6.720  -0.874  1.00  0.00           H  
HETATM   76  H   UNL     1       1.470  -7.573  -0.028  1.00  0.00           H  
CONECT    1    2   23   23   52                                       
CONECT    2    1    3    3   53                                       
CONECT    3    2    2    4   45                                       
CONECT    4    5    3   54   55                                       
CONECT    5    6    4   56   57                                       
CONECT    6   47    5   46   46                                       
CONECT    7    8   47   58   59                                       
CONECT    8   25   48    7   60                                       
CONECT    9   24   24   10   48                                       
CONECT   10   11   11    9   61                                       
CONECT   11   12   10   10   62                                       
CONECT   12   35   13   13   11                                       
CONECT   13   14   12   12   24                                       
CONECT   14   49   49   13   43                                       
CONECT   15   45   40   41   42                                       
CONECT   16   17   63   64   65                                       
CONECT   17   21   16   18   18                                       
CONECT   18   17   17   19   66                                       
CONECT   19   42   42   18   20                                       
CONECT   20   19   67   68   69                                       
CONECT   21   22   22   42   17                                       
CONECT   22   23   21   21   70                                       
CONECT   23    1    1   45   22                                       
CONECT   24   13   36    9    9                                       
CONECT   25   44   44    8   50                                       
CONECT   26   27   44   34   34                                       
CONECT   27   33   33   28   26                                       
CONECT   28   29   29   27   71                                       
CONECT   29   30   28   28   72                                       
CONECT   30   31   32   32   29                                       
CONECT   31   39   37   30   38                                       
CONECT   32   30   30   33   73                                       
CONECT   33   32   27   27   74                                       
CONECT   34   26   26   50   51                                       
CONECT   35   12                                                      
CONECT   36   24                                                      
CONECT   37   31                                                      
CONECT   38   31                                                      
CONECT   39   31                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15   21   19   19                                       
CONECT   43   14   75   76                                            
CONECT   44   26   25   25                                            
CONECT   45    3   23   15                                            
CONECT   46    6    6                                                 
CONECT   47    7    6                                                 
CONECT   48    9    8                                                 
CONECT   49   14   14                                                 
CONECT   50   34   25                                                 
CONECT   51   34                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   22                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
