COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.329  -0.895   1.815  1.00  0.00           O  
HETATM    2  N   UNL     1      -2.673  -4.278   1.477  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.830  -3.502   1.863  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.660  -0.580   0.853  1.00  0.00           C  
HETATM    5  C   UNL     1       0.450  -1.483   0.380  1.00  0.00           C  
HETATM    6  C   UNL     1       0.521  -2.718   1.280  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.956  -4.466   0.139  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.267  -4.939   0.421  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.024  -5.972  -0.329  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.449  -6.593  -1.436  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.157  -7.554  -2.130  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.434  -7.900  -1.728  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.010  -7.287  -0.630  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.308  -6.330   0.075  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.729  -3.542   1.100  1.00  0.00           C  
HETATM   16  C   UNL     1       1.781  -0.730   0.443  1.00  0.00           C  
HETATM   17  P   UNL     1       3.025  -1.611  -0.557  1.00  0.00           P  
HETATM   18  O   UNL     1       3.301  -3.061   0.086  1.00  0.00           O  
HETATM   19  O   UNL     1       2.523  -1.772  -1.940  1.00  0.00           O  
HETATM   20  C   UNL     1       4.567  -0.657  -0.581  1.00  0.00           C  
HETATM   21  C   UNL     1       5.532  -0.878   0.385  1.00  0.00           C  
HETATM   22  C   UNL     1       6.710  -0.155   0.363  1.00  0.00           C  
HETATM   23  C   UNL     1       6.923   0.790  -0.624  1.00  0.00           C  
HETATM   24 BR   UNL     1       8.535   1.779  -0.654  1.00  0.00          Br  
HETATM   25  C   UNL     1       5.958   1.011  -1.590  1.00  0.00           C  
HETATM   26  C   UNL     1       4.780   0.287  -1.568  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.910   0.576   0.207  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.990   1.453   0.667  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.473   2.300  -0.483  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.965   2.182  -1.578  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.469   2.360   1.784  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.095   1.508   2.999  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.582   2.401   4.100  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.523   3.596   3.930  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.192   1.870   5.268  1.00  0.00           O  
HETATM   36  N   UNL     1      -3.469   3.188  -0.294  1.00  0.00           N  
HETATM   37  C   UNL     1      -3.939   4.010  -1.411  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.067   5.233  -1.536  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.144   5.401  -0.767  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.385   4.439  -1.156  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.290   3.205  -1.153  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.714   3.628  -0.902  1.00  0.00           C  
HETATM   43  O   UNL     1      -7.979   4.796  -0.741  1.00  0.00           O  
HETATM   44  O   UNL     1      -8.689   2.706  -0.856  1.00  0.00           O  
HETATM   45  N   UNL     1      -3.313   6.141  -2.502  1.00  0.00           N  
HETATM   46  H   UNL     1       0.255  -1.791  -0.647  1.00  0.00           H  
HETATM   47  H   UNL     1       1.392  -3.316   1.009  1.00  0.00           H  
HETATM   48  H   UNL     1       0.604  -2.406   2.321  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.295  -4.773  -0.658  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.452  -6.323  -1.750  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.713  -8.035  -2.988  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.984  -8.653  -2.274  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.007  -7.561  -0.320  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.757  -5.855   0.935  1.00  0.00           H  
HETATM   55  H   UNL     1       1.646   0.278   0.050  1.00  0.00           H  
HETATM   56  H   UNL     1       2.119  -0.675   1.477  1.00  0.00           H  
HETATM   57  H   UNL     1       3.642  -3.032   0.990  1.00  0.00           H  
HETATM   58  H   UNL     1       5.365  -1.615   1.156  1.00  0.00           H  
HETATM   59  H   UNL     1       7.463  -0.327   1.118  1.00  0.00           H  
HETATM   60  H   UNL     1       6.124   1.749  -2.361  1.00  0.00           H  
HETATM   61  H   UNL     1       4.029   0.457  -2.324  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.375   0.827  -0.562  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.814   0.848   1.044  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.590   2.900   1.434  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.245   3.072   2.065  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.974   0.969   3.349  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.319   0.796   2.718  1.00  0.00           H  
HETATM   68  H   UNL     1       0.129   2.482   5.944  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.875   3.282   0.582  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.888   3.433  -2.334  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.451   4.940  -0.190  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.705   5.123  -1.942  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.224   2.705  -2.119  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.969   2.522  -0.367  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.587   3.025  -0.692  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.051   6.006  -3.117  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.751   6.928  -2.582  1.00  0.00           H  
CONECT    1    4    4                                                 
CONECT    2    3    8    8                                            
CONECT    3   15    2                                                 
CONECT    4    5   27    1    1                                       
CONECT    5   16    6    4   46                                       
CONECT    6    5   15   47   48                                       
CONECT    7   15   15    8   49                                       
CONECT    8    7    9    2    2                                       
CONECT    9   10    8   14   14                                       
CONECT   10   11   11    9   50                                       
CONECT   11   10   10   12   51                                       
CONECT   12   11   13   13   52                                       
CONECT   13   12   12   14   53                                       
CONECT   14    9    9   13   54                                       
CONECT   15    6    7    7    3                                       
CONECT   16   17    5   55   56                                       
CONECT   17   20   19   19   18                                       
CONECT   17   16                                                      
CONECT   18   17   57                                                 
CONECT   19   17   17                                                 
CONECT   20   21   21   26   17                                       
CONECT   21   22   20   20   58                                       
CONECT   22   23   23   21   59                                       
CONECT   23   24   22   22   25                                       
CONECT   24   23                                                      
CONECT   25   23   26   26   60                                       
CONECT   26   25   25   20   61                                       
CONECT   27    4   28   62                                            
CONECT   28   27   31   29   63                                       
CONECT   29   28   30   30   36                                       
CONECT   30   29   29                                                 
CONECT   31   32   28   64   65                                       
CONECT   32   33   31   66   67                                       
CONECT   33   34   34   35   32                                       
CONECT   34   33   33                                                 
CONECT   35   33   68                                                 
CONECT   36   29   37   69                                            
CONECT   37   36   38   40   70                                       
CONECT   38   45   37   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   37   41   71   72                                       
CONECT   41   40   42   73   74                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   75                                                 
CONECT   45   38   76   77                                            
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   44                                                      
CONECT   76   45                                                      
CONECT   77   45                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
