COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.732   1.109  -0.613  1.00  0.00           C  
HETATM    2  C   UNL     1       8.597  -0.883   0.502  1.00  0.00           C  
HETATM    3  C   UNL     1       4.444   0.428  -1.975  1.00  0.00           C  
HETATM    4  C   UNL     1       3.508   1.454  -2.659  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.185   3.904   0.644  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.384   3.598   0.567  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.319   2.931   1.466  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.687   3.785   0.626  1.00  0.00           C  
HETATM    9  C   UNL     1       6.352  -0.403   0.611  1.00  0.00           C  
HETATM   10  C   UNL     1       2.941   2.285  -1.492  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.455   4.553  -0.272  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.374   1.924   2.332  1.00  0.00           C  
HETATM   13  C   UNL     1       6.219  -1.317   1.670  1.00  0.00           C  
HETATM   14  C   UNL     1       1.414   2.191  -1.479  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.523   0.560   1.656  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.090  -3.723  -0.350  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.918  -3.095   0.029  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.962  -1.853   0.633  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.184  -1.237   0.859  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.359  -1.869   0.479  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.310  -3.111  -0.124  1.00  0.00           C  
HETATM   22  C   UNL     1       7.367  -2.001   2.104  1.00  0.00           C  
HETATM   23  C   UNL     1       0.855   3.117  -0.397  1.00  0.00           C  
HETATM   24  C   UNL     1       4.256  -0.475   1.293  1.00  0.00           C  
HETATM   25  N   UNL     1       8.521  -1.751   1.494  1.00  0.00           N  
HETATM   26  N   UNL     1       7.548  -0.220   0.062  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.611   3.026  -0.385  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.678   2.843   1.429  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.777   4.438  -0.269  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.838   5.422  -1.143  1.00  0.00           N  
HETATM   31  N   UNL     1       7.298  -2.913   3.143  1.00  0.00           N  
HETATM   32  N   UNL     1       4.916  -1.313   2.040  1.00  0.00           N  
HETATM   33  N   UNL     1       5.098   0.111   0.396  1.00  0.00           N  
HETATM   34  O   UNL     1       5.648   0.257  -2.724  1.00  0.00           O  
HETATM   35  O   UNL     1       4.248   2.287  -3.553  1.00  0.00           O  
HETATM   36  O   UNL     1       3.474   1.734  -0.276  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.601   3.506   0.547  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.230  -0.015   1.454  1.00  0.00           O  
HETATM   39 BR   UNL     1      -4.026  -5.419  -1.184  1.00  0.00          Br  
HETATM   40  H   UNL     1       5.519   1.856  -0.716  1.00  0.00           H  
HETATM   41  H   UNL     1       9.556  -0.707   0.037  1.00  0.00           H  
HETATM   42  H   UNL     1       3.937  -0.527  -1.833  1.00  0.00           H  
HETATM   43  H   UNL     1       2.704   0.943  -3.189  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.900   4.936   0.442  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.808   3.609   1.624  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.752   2.325   2.157  1.00  0.00           H  
HETATM   47  H   UNL     1       3.247   3.326  -1.595  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.361   2.323   2.566  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.799   1.813   3.251  1.00  0.00           H  
HETATM   50  H   UNL     1       1.024   2.492  -2.452  1.00  0.00           H  
HETATM   51  H   UNL     1       1.115   1.164  -1.269  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.118  -0.097   2.290  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.020   0.683   0.694  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.967  -3.575  -0.148  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.047  -1.363   0.929  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.311  -1.391   0.655  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.224  -3.603  -0.421  1.00  0.00           H  
HETATM   58  H   UNL     1       1.245   2.816   0.575  1.00  0.00           H  
HETATM   59  H   UNL     1       1.154   4.144  -0.607  1.00  0.00           H  
HETATM   60  H   UNL     1       3.198  -0.275   1.373  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.994   3.238  -1.295  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.872   5.506  -1.140  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.370   5.949  -1.760  1.00  0.00           H  
HETATM   64  H   UNL     1       6.450  -3.086   3.580  1.00  0.00           H  
HETATM   65  H   UNL     1       8.098  -3.378   3.433  1.00  0.00           H  
HETATM   66  H   UNL     1       5.520  -0.165  -3.585  1.00  0.00           H  
HETATM   67  H   UNL     1       4.676   1.807  -4.275  1.00  0.00           H  
CONECT    1   33    3   36   40                                       
CONECT    2   25   25   26   41                                       
CONECT    3   34    1    4   42                                       
CONECT    4   35    3   10   43                                       
CONECT    5   27    8   44   45                                       
CONECT    6   29   28   37   37                                       
CONECT    7    8    8   28   46                                       
CONECT    8    5   11    7    7                                       
CONECT    9   26   26   13   33                                       
CONECT   10   36    4   14   47                                       
CONECT   11   30    8   29   29                                       
CONECT   12   28   15   48   49                                       
CONECT   13   22   22    9   32                                       
CONECT   14   10   23   50   51                                       
CONECT   15   38   12   52   53                                       
CONECT   16   39   17   17   21                                       
CONECT   17   16   16   18   54                                       
CONECT   18   17   19   19   55                                       
CONECT   19   18   18   20   38                                       
CONECT   20   21   21   19   56                                       
CONECT   21   16   20   20   57                                       
CONECT   22   25   31   13   13                                       
CONECT   23   14   27   58   59                                       
CONECT   24   33   32   32   60                                       
CONECT   25    2    2   22                                            
CONECT   26    2    9    9                                            
CONECT   27   23    5   61                                            
CONECT   28    7    6   12                                            
CONECT   29   11   11    6                                            
CONECT   30   11   62   63                                            
CONECT   31   22   64   65                                            
CONECT   32   13   24   24                                            
CONECT   33    9    1   24                                            
CONECT   34    3   66                                                 
CONECT   35    4   67                                                 
CONECT   36    1   10                                                 
CONECT   37    6    6                                                 
CONECT   38   19   15                                                 
CONECT   39   16                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
