COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.858   1.642   0.204  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.360   4.779   0.919  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.131   5.581   0.100  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.251   5.279  -1.249  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.596   4.173  -1.771  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.827   3.374  -0.947  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.709   3.677   0.397  1.00  0.00           C  
HETATM    8  C   UNL     1       5.025   0.734   0.479  1.00  0.00           C  
HETATM    9  C   UNL     1       5.771  -1.333   0.008  1.00  0.00           C  
HETATM   10  C   UNL     1       6.482  -2.487  -0.304  1.00  0.00           C  
HETATM   11  C   UNL     1       5.823  -3.694  -0.395  1.00  0.00           C  
HETATM   12  C   UNL     1       4.454  -3.771  -0.179  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.535   0.853  -0.607  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.223  -1.947   0.440  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.876   1.259  -0.249  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.727  -0.575  -0.041  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.139   0.511   0.951  1.00  0.00           C  
HETATM   18  O   UNL     1       0.170  -1.299   0.063  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.861   1.289   0.957  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.593   1.542   1.724  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.729  -2.546  -0.262  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.872   2.807   1.291  1.00  0.00           C  
HETATM   23  C   UNL     1       3.736  -2.650   0.128  1.00  0.00           C  
HETATM   24  C   UNL     1       4.383  -1.417   0.226  1.00  0.00           C  
HETATM   25  C   UNL     1       3.938  -0.054   0.529  1.00  0.00           C  
HETATM   26  C   UNL     1       2.529   0.380   0.838  1.00  0.00           C  
HETATM   27  C   UNL     1       2.516  -0.534  -2.524  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.480  -2.187  -2.991  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.485  -4.667   1.821  1.00  0.00           C  
HETATM   30  N   UNL     1       6.129  -0.013   0.169  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.775  -4.491   1.817  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.274  -3.000  -0.067  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.003  -3.694  -1.116  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.059  -4.137   0.538  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.091  -5.125  -0.063  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.647  -4.830   0.314  1.00  0.00           C  
HETATM   37  N   UNL     1       1.671  -0.422  -1.324  1.00  0.00           N  
HETATM   38  C   UNL     1      -1.136  -3.593  -0.386  1.00  0.00           C  
HETATM   39  C   UNL     1       0.517  -2.559  -1.892  1.00  0.00           C  
HETATM   40  C   UNL     1       0.775  -1.382  -0.992  1.00  0.00           C  
HETATM   41  C   UNL     1       1.816   0.762  -0.461  1.00  0.00           C  
HETATM   42  C   UNL     1       0.469   1.362  -0.159  1.00  0.00           C  
HETATM   43  O   UNL     1      -4.009   6.066  -2.057  1.00  0.00           O  
HETATM   44 BR   UNL     1       5.027   2.600   0.784  1.00  0.00          Br  
HETATM   45  N   UNL     1       0.392   2.461   0.624  1.00  0.00           N  
HETATM   46  O   UNL     1      -3.987   1.038   1.647  1.00  0.00           O  
HETATM   47  C   UNL     1      -6.617  -2.193  -0.144  1.00  0.00           C  
HETATM   48  H   UNL     1      -6.746   1.245  -0.289  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.152   2.416   0.913  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.188   2.068  -0.542  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.263   5.016   1.969  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.639   6.441   0.509  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.689   3.936  -2.821  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.318   2.513  -1.353  1.00  0.00           H  
HETATM   55  H   UNL     1       7.547  -2.437  -0.474  1.00  0.00           H  
HETATM   56  H   UNL     1       6.377  -4.588  -0.637  1.00  0.00           H  
HETATM   57  H   UNL     1       3.953  -4.724  -0.255  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.271  -1.940   1.523  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.644  -0.614  -0.136  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.173  -0.361  -1.013  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.832   0.086   1.682  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.838   1.620   2.793  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.931   0.676   1.610  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.635   3.395   2.196  1.00  0.00           H  
HETATM   65  H   UNL     1       2.671  -2.717   0.294  1.00  0.00           H  
HETATM   66  H   UNL     1       1.993  -0.438   1.319  1.00  0.00           H  
HETATM   67  H   UNL     1       2.552   1.241   1.506  1.00  0.00           H  
HETATM   68  H   UNL     1       3.441  -1.051  -2.270  1.00  0.00           H  
HETATM   69  H   UNL     1       1.985  -1.097  -3.292  1.00  0.00           H  
HETATM   70  H   UNL     1       2.748   0.463  -2.900  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.075  -1.369  -3.587  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.654  -3.052  -3.632  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.421  -1.876  -2.538  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.791  -5.586   2.321  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.442  -4.457   2.054  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.108  -3.841   2.166  1.00  0.00           H  
HETATM   77  H   UNL     1       7.029   0.336   0.076  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.442  -3.676   2.098  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.356  -5.402   1.668  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.045  -4.653   2.610  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.750  -2.815  -1.004  1.00  0.00           H  
HETATM   82  H   UNL     1       0.478  -4.546  -1.136  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.364  -6.127   0.287  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.197  -5.108  -1.152  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.024  -5.676  -0.013  1.00  0.00           H  
HETATM   86  H   UNL     1       1.456  -2.878  -2.361  1.00  0.00           H  
HETATM   87  H   UNL     1       2.425   1.502  -0.994  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.521   6.794  -2.466  1.00  0.00           H  
HETATM   89  H   UNL     1       1.170   3.036   0.735  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.563  -2.178  -1.232  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.983  -3.164   0.189  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.296  -1.412   0.197  1.00  0.00           H  
CONECT    1   17   48   49   50                                       
CONECT    2    7    7    3   51                                       
CONECT    3    2    4    4   52                                       
CONECT    4    3    3    5   43                                       
CONECT    5    6    6    4   53                                       
CONECT    6    7    5    5   54                                       
CONECT    7   22    2    2    6                                       
CONECT    8   44   25   25   30                                       
CONECT    9   30   24   10   10                                       
CONECT   10    9    9   11   55                                       
CONECT   11   12   12   10   56                                       
CONECT   12   23   11   11   57                                       
CONECT   13   42   42                                                 
CONECT   14   47   16   32   58                                       
CONECT   15   19   19                                                 
CONECT   16   14   17   59   60                                       
CONECT   17   46   16    1   61                                       
CONECT   18   40   40                                                 
CONECT   19   20   15   15   46                                       
CONECT   20   22   19   62   63                                       
CONECT   21   38   38                                                 
CONECT   22   20    7   45   64                                       
CONECT   23   24   24   12   65                                       
CONECT   24   25   23   23    9                                       
CONECT   25   26    8    8   24                                       
CONECT   26   41   25   66   67                                       
CONECT   27   37   68   69   70                                       
CONECT   28   39   71   72   73                                       
CONECT   29   36   74   75   76                                       
CONECT   30    8    9   77                                            
CONECT   31   34   78   79   80                                       
CONECT   32   14   34   34   81                                       
CONECT   33   39   38   82                                            
CONECT   34   32   32   31   35                                       
CONECT   35   34   36   83   84                                       
CONECT   36   29   38   35   85                                       
CONECT   37   27   41   40                                            
CONECT   38   33   21   21   36                                       
CONECT   39   28   40   33   86                                       
CONECT   40   37   39   18   18                                       
CONECT   41   42   26   37   87                                       
CONECT   42   13   13   45   41                                       
CONECT   43    4   88                                                 
CONECT   44    8                                                      
CONECT   45   22   42   89                                            
CONECT   46   19   17                                                 
CONECT   47   14   90   91   92                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   39                                                      
CONECT   87   41                                                      
CONECT   88   43                                                      
CONECT   89   45                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   47                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
