COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.581  -1.042   2.178  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.313   2.611   0.546  1.00  0.00           N  
HETATM    3  O   UNL     1       0.813   5.826   1.119  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.171   0.303   1.177  1.00  0.00           C  
HETATM    5  O   UNL     1       4.459  -1.781   0.584  1.00  0.00           O  
HETATM    6  O   UNL     1       2.356  -0.481   1.411  1.00  0.00           O  
HETATM    7  C   UNL     1       2.211  -0.990   0.320  1.00  0.00           C  
HETATM    8  C   UNL     1       3.336  -1.778  -0.300  1.00  0.00           C  
HETATM    9  C   UNL     1       5.566  -2.453   0.173  1.00  0.00           C  
HETATM   10  C   UNL     1       5.574  -3.091  -1.058  1.00  0.00           C  
HETATM   11  C   UNL     1       6.701  -3.773  -1.474  1.00  0.00           C  
HETATM   12  C   UNL     1       7.821  -3.820  -0.664  1.00  0.00           C  
HETATM   13  C   UNL     1       7.815  -3.184   0.564  1.00  0.00           C  
HETATM   14  C   UNL     1       6.693  -2.496   0.982  1.00  0.00           C  
HETATM   15  C   UNL     1       6.690  -1.798   2.317  1.00  0.00           C  
HETATM   16  C   UNL     1       5.582  -2.383   3.196  1.00  0.00           C  
HETATM   17  C   UNL     1       8.044  -2.000   3.001  1.00  0.00           C  
HETATM   18  C   UNL     1       6.441  -0.303   2.111  1.00  0.00           C  
HETATM   19  N   UNL     1       1.043  -0.852  -0.338  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.051  -0.086   0.264  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.253  -0.083  -0.682  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.796  -1.483  -0.809  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.023  -2.240   0.325  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.520  -3.525   0.214  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.793  -4.057  -1.036  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.283  -5.321  -1.147  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.493  -6.044   0.067  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.566  -3.295  -2.178  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.832  -3.812  -3.407  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.574  -2.972  -4.534  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.071  -2.006  -2.059  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.294   0.798  -0.147  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.560   0.420   0.248  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.235  -0.795   0.277  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.519  -0.855   0.734  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.191   2.148   0.055  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.991   2.962  -0.239  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.198   2.665  -1.349  1.00  0.00           C  
HETATM   39  C   UNL     1       0.920   3.426  -1.620  1.00  0.00           C  
HETATM   40  C   UNL     1       1.259   4.484  -0.794  1.00  0.00           C  
HETATM   41 BR   UNL     1       2.794   5.521  -1.174  1.00  0.00          Br  
HETATM   42  C   UNL     1       0.476   4.786   0.312  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.652   4.032   0.589  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.200   1.595   0.689  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.513   1.529   1.155  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.562   0.223   1.669  1.00  0.00           C  
HETATM   47  O   UNL     1      -8.129   1.227   2.054  1.00  0.00           O  
HETATM   48  N   UNL     1      -8.201  -0.963   1.691  1.00  0.00           N  
HETATM   49  H   UNL     1      -9.927  -2.074   2.121  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.620  -0.702   3.213  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.220  -0.409   1.563  1.00  0.00           H  
HETATM   52  H   UNL     1       0.421   6.670   0.858  1.00  0.00           H  
HETATM   53  H   UNL     1       3.621  -1.321  -1.247  1.00  0.00           H  
HETATM   54  H   UNL     1       3.009  -2.803  -0.474  1.00  0.00           H  
HETATM   55  H   UNL     1       4.700  -3.056  -1.691  1.00  0.00           H  
HETATM   56  H   UNL     1       6.708  -4.271  -2.433  1.00  0.00           H  
HETATM   57  H   UNL     1       8.701  -4.354  -0.991  1.00  0.00           H  
HETATM   58  H   UNL     1       8.691  -3.222   1.195  1.00  0.00           H  
HETATM   59  H   UNL     1       5.760  -3.448   3.343  1.00  0.00           H  
HETATM   60  H   UNL     1       5.580  -1.878   4.162  1.00  0.00           H  
HETATM   61  H   UNL     1       4.618  -2.239   2.708  1.00  0.00           H  
HETATM   62  H   UNL     1       8.833  -1.584   2.375  1.00  0.00           H  
HETATM   63  H   UNL     1       8.042  -1.495   3.967  1.00  0.00           H  
HETATM   64  H   UNL     1       8.221  -3.066   3.148  1.00  0.00           H  
HETATM   65  H   UNL     1       5.477  -0.159   1.623  1.00  0.00           H  
HETATM   66  H   UNL     1       6.439   0.202   3.077  1.00  0.00           H  
HETATM   67  H   UNL     1       7.230   0.114   1.485  1.00  0.00           H  
HETATM   68  H   UNL     1       0.927  -1.259  -1.211  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.336  -0.543   1.212  1.00  0.00           H  
HETATM   70  H   UNL     1       0.276   0.939   0.439  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.943   0.276  -1.663  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.810  -1.827   1.300  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.696  -4.115   1.102  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.547  -6.143   0.600  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.207  -5.507   0.692  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.885  -7.035  -0.163  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.178  -2.068  -4.459  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.518  -2.703  -4.552  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.829  -3.505  -5.450  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.897  -1.411  -2.943  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.741  -1.693  -0.062  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.037  -1.803   0.755  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.460   1.840  -1.994  1.00  0.00           H  
HETATM   84  H   UNL     1       1.533   3.195  -2.479  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.264   4.268   1.447  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.015   2.422   1.496  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.749  -1.764   1.384  1.00  0.00           H  
CONECT    1   48   49   50   51                                       
CONECT    2   44   36   36                                            
CONECT    3   42   52                                                 
CONECT    4   46   35   35   45                                       
CONECT    5    8    9                                                 
CONECT    6    7    7                                                 
CONECT    7    6    6   19    8                                       
CONECT    8    7    5   53   54                                       
CONECT    9    5   10   10   14                                       
CONECT   10    9    9   11   55                                       
CONECT   11   10   12   12   56                                       
CONECT   12   11   11   13   57                                       
CONECT   13   14   14   12   58                                       
CONECT   14    9   15   13   13                                       
CONECT   15   18   14   16   17                                       
CONECT   16   15   59   60   61                                       
CONECT   17   15   62   63   64                                       
CONECT   18   15   65   66   67                                       
CONECT   19   20    7   68                                            
CONECT   20   19   21   69   70                                       
CONECT   21   20   32   22   71                                       
CONECT   22   21   31   31   23                                       
CONECT   23   22   24   24   72                                       
CONECT   24   23   23   25   73                                       
CONECT   25   28   28   24   26                                       
CONECT   26   25   27                                                 
CONECT   27   26   74   75   76                                       
CONECT   28   31   29   25   25                                       
CONECT   29   30   28                                                 
CONECT   30   29   77   78   79                                       
CONECT   31   22   22   28   80                                       
CONECT   32   33   36   21                                            
CONECT   33   34   34   44   32                                       
CONECT   34   35   33   33   81                                       
CONECT   35    4    4   34   82                                       
CONECT   36    2    2   32   37                                       
CONECT   37   36   43   43   38                                       
CONECT   38   37   39   39   83                                       
CONECT   39   38   38   40   84                                       
CONECT   40   42   42   39   41                                       
CONECT   41   40                                                      
CONECT   42   43    3   40   40                                       
CONECT   43   37   37   42   85                                       
CONECT   44   45   45   33    2                                       
CONECT   45    4   44   44   86                                       
CONECT   46   47   47   48    4                                       
CONECT   47   46   46                                                 
CONECT   48    1   46   87                                            
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   43                                                      
CONECT   86   45                                                      
CONECT   87   48                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
