COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.508   1.600  -2.331  1.00  0.00           O  
HETATM    2  N   UNL     1       2.755  -0.044  -2.474  1.00  0.00           N  
HETATM    3  O   UNL     1       1.569  -0.013  -2.709  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.088   1.357  -1.294  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.261  -0.071  -0.845  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.617  -1.010  -1.868  1.00  0.00           C  
HETATM    7  C   UNL     1       1.774  -1.366  -1.037  1.00  0.00           C  
HETATM    8  C   UNL     1       3.023  -0.838  -1.467  1.00  0.00           C  
HETATM    9  C   UNL     1       4.360  -1.129  -0.893  1.00  0.00           C  
HETATM   10  C   UNL     1       4.480  -2.009   0.183  1.00  0.00           C  
HETATM   11  C   UNL     1       5.720  -2.279   0.717  1.00  0.00           C  
HETATM   12  C   UNL     1       6.857  -1.673   0.182  1.00  0.00           C  
HETATM   13  C   UNL     1       6.737  -0.794  -0.894  1.00  0.00           C  
HETATM   14  C   UNL     1       5.496  -0.528  -1.431  1.00  0.00           C  
HETATM   15  C   UNL     1       0.875  -0.799  -1.873  1.00  0.00           C  
HETATM   16 CL   UNL     1      11.989  -0.882   0.102  1.00  0.00          Cl  
HETATM   17  C   UNL     1      10.571  -1.633   0.764  1.00  0.00           C  
HETATM   18  C   UNL     1       9.329  -1.359   0.224  1.00  0.00           C  
HETATM   19  C   UNL     1      10.687  -2.510   1.829  1.00  0.00           C  
HETATM   20  C   UNL     1       9.561  -3.112   2.361  1.00  0.00           C  
HETATM   21  C   UNL     1       8.315  -2.841   1.833  1.00  0.00           C  
HETATM   22  C   UNL     1       8.193  -1.963   0.757  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.752  -0.392  -0.726  1.00  0.00           C  
HETATM   24  P   UNL     1      -2.971  -1.907   0.264  1.00  0.00           P  
HETATM   25  O   UNL     1      -2.414  -1.660   1.754  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.222  -3.019  -0.364  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.733  -2.332   0.339  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.286  -3.157  -0.622  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.629  -3.480  -0.566  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.419  -2.978   0.453  1.00  0.00           C  
HETATM   31 BR   UNL     1      -9.255  -3.421   0.532  1.00  0.00          Br  
HETATM   32  C   UNL     1      -6.864  -2.152   1.415  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.520  -1.834   1.360  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.579   2.363  -0.545  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.412   3.751  -0.982  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.461   4.665   0.216  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.620   4.202   1.325  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.537   4.120  -1.951  1.00  0.00           C  
HETATM   39  N   UNL     1      -1.328   5.996   0.054  1.00  0.00           N  
HETATM   40  C   UNL     1      -1.376   6.884   1.218  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.816   8.258   0.784  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.065   8.475  -0.383  1.00  0.00           O  
HETATM   43  C   UNL     1       0.014   6.970   1.852  1.00  0.00           C  
HETATM   44  N   UNL     1      -1.933   9.247   1.693  1.00  0.00           N  
HETATM   45  H   UNL     1      -0.781  -0.207   0.125  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.837  -2.043  -1.601  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.018  -0.796  -2.859  1.00  0.00           H  
HETATM   48  H   UNL     1       1.587  -2.058  -0.229  1.00  0.00           H  
HETATM   49  H   UNL     1       3.600  -2.478   0.597  1.00  0.00           H  
HETATM   50  H   UNL     1       5.813  -2.960   1.550  1.00  0.00           H  
HETATM   51  H   UNL     1       7.617  -0.324  -1.309  1.00  0.00           H  
HETATM   52  H   UNL     1       5.404   0.150  -2.267  1.00  0.00           H  
HETATM   53  H   UNL     1       9.240  -0.678  -0.609  1.00  0.00           H  
HETATM   54  H   UNL     1      11.660  -2.725   2.245  1.00  0.00           H  
HETATM   55  H   UNL     1       9.657  -3.796   3.191  1.00  0.00           H  
HETATM   56  H   UNL     1       7.437  -3.312   2.249  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.264   0.437  -0.239  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.171  -0.544  -1.721  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.860  -0.943   2.227  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.670  -3.548  -1.418  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.062  -4.124  -1.317  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.481  -1.760   2.210  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.086  -1.193   2.114  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.044   2.168   0.285  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.450   3.861  -1.483  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.412   5.153  -2.276  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.501   3.460  -2.817  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.498   4.011  -1.450  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.200   6.366  -0.833  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.083   6.489   1.947  1.00  0.00           H  
HETATM   71  H   UNL     1       0.722   7.365   1.122  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.021   7.630   2.718  1.00  0.00           H  
HETATM   73  H   UNL     1       0.333   5.976   2.165  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.733   9.074   2.626  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.216  10.131   1.413  1.00  0.00           H  
CONECT    1    4    4                                                 
CONECT    2    8    8    3                                            
CONECT    3    2   15                                                 
CONECT    4    1    1   34    5                                       
CONECT    5    4    6   23   45                                       
CONECT    6   15    5   46   47                                       
CONECT    7    8   15   15   48                                       
CONECT    8    9    2    2    7                                       
CONECT    9   10    8   14   14                                       
CONECT   10   11   11    9   49                                       
CONECT   11   10   10   12   50                                       
CONECT   12   11   22   13   13                                       
CONECT   13   12   12   14   51                                       
CONECT   14    9    9   13   52                                       
CONECT   15    3    7    7    6                                       
CONECT   16   17                                                      
CONECT   17   16   19   19   18                                       
CONECT   18   17   22   22   53                                       
CONECT   19   17   17   20   54                                       
CONECT   20   19   21   21   55                                       
CONECT   21   20   20   22   56                                       
CONECT   22   18   18   21   12                                       
CONECT   23    5   24   57   58                                       
CONECT   24   23   26   26   25                                       
CONECT   24   27                                                      
CONECT   25   24   59                                                 
CONECT   26   24   24                                                 
CONECT   27   24   33   33   28                                       
CONECT   28   27   29   29   60                                       
CONECT   29   28   28   30   61                                       
CONECT   30   32   32   29   31                                       
CONECT   31   30                                                      
CONECT   32   33   30   30   62                                       
CONECT   33   27   27   32   63                                       
CONECT   34   35    4   64                                            
CONECT   35   36   38   34   65                                       
CONECT   36   39   37   37   35                                       
CONECT   37   36   36                                                 
CONECT   38   35   66   67   68                                       
CONECT   39   40   36   69                                            
CONECT   40   43   41   39   70                                       
CONECT   41   42   42   40   44                                       
CONECT   42   41   41                                                 
CONECT   43   40   71   72   73                                       
CONECT   44   41   74   75                                            
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   43                                                      
CONECT   72   43                                                      
CONECT   73   43                                                      
CONECT   74   44                                                      
CONECT   75   44                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
