COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.555   2.326   0.463  1.00  0.00           C  
HETATM    2 CL   UNL     1       9.654  -2.066   0.079  1.00  0.00          Cl  
HETATM    3  C   UNL     1       8.055  -1.752   0.678  1.00  0.00           C  
HETATM    4  C   UNL     1       7.125  -1.119  -0.130  1.00  0.00           C  
HETATM    5 CL   UNL     1       7.557  -0.640  -1.742  1.00  0.00          Cl  
HETATM    6  C   UNL     1       7.707  -2.138   1.960  1.00  0.00           C  
HETATM    7  C   UNL     1       6.434  -1.888   2.436  1.00  0.00           C  
HETATM    8  C   UNL     1       5.507  -1.252   1.631  1.00  0.00           C  
HETATM    9  C   UNL     1       5.851  -0.870   0.348  1.00  0.00           C  
HETATM   10  C   UNL     1       4.838  -0.181  -0.530  1.00  0.00           C  
HETATM   11  N   UNL     1       3.523  -0.795  -0.332  1.00  0.00           N  
HETATM   12  C   UNL     1       3.411  -2.244  -0.148  1.00  0.00           C  
HETATM   13  C   UNL     1       2.613  -2.744   1.058  1.00  0.00           C  
HETATM   14  C   UNL     1       2.033  -2.878  -0.352  1.00  0.00           C  
HETATM   15  C   UNL     1       2.415  -0.027  -0.320  1.00  0.00           C  
HETATM   16  O   UNL     1       1.329  -0.529  -0.099  1.00  0.00           O  
HETATM   17  C   UNL     1       2.519   1.411  -0.573  1.00  0.00           C  
HETATM   18  C   UNL     1       3.872   2.003  -0.876  1.00  0.00           C  
HETATM   19  N   UNL     1       3.694   3.265  -1.613  1.00  0.00           N  
HETATM   20  C   UNL     1       2.829   4.180  -0.861  1.00  0.00           C  
HETATM   21  C   UNL     1       1.409   3.634  -0.809  1.00  0.00           C  
HETATM   22  N   UNL     1       3.645   3.184   1.239  1.00  0.00           N  
HETATM   23  C   UNL     1       3.384   4.443   0.531  1.00  0.00           C  
HETATM   24  C   UNL     1       1.411   2.159  -0.528  1.00  0.00           C  
HETATM   25  C   UNL     1       0.136   1.507  -0.186  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.533   1.846   0.994  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.727   1.231   1.306  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.414   0.548  -1.043  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.609  -0.058  -0.716  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.263   0.280   0.456  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.568  -0.388   0.805  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.727   0.420   0.219  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.052  -0.258   0.574  1.00  0.00           C  
HETATM   34  O   UNL     1      -7.135   0.497   0.026  1.00  0.00           O  
HETATM   35  C   UNL     1      -8.391   0.028   0.251  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.094   0.435   1.378  1.00  0.00           C  
HETATM   37  F   UNL     1      -8.530   1.298   2.251  1.00  0.00           F  
HETATM   38  C   UNL     1      -8.974  -0.854  -0.646  1.00  0.00           C  
HETATM   39 CL   UNL     1      -8.101  -1.361  -2.059  1.00  0.00          Cl  
HETATM   40  C   UNL     1     -10.254  -1.330  -0.414  1.00  0.00           C  
HETATM   41  F   UNL     1     -10.824  -2.189  -1.288  1.00  0.00           F  
HETATM   42  C   UNL     1     -10.950  -0.927   0.712  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.372  -0.043   1.605  1.00  0.00           C  
HETATM   44  H   UNL     1       4.749   1.404   1.010  1.00  0.00           H  
HETATM   45  H   UNL     1       5.492   2.852   0.281  1.00  0.00           H  
HETATM   46  H   UNL     1       8.431  -2.635   2.589  1.00  0.00           H  
HETATM   47  H   UNL     1       6.163  -2.190   3.437  1.00  0.00           H  
HETATM   48  H   UNL     1       4.512  -1.057   2.004  1.00  0.00           H  
HETATM   49  H   UNL     1       4.788   0.876  -0.267  1.00  0.00           H  
HETATM   50  H   UNL     1       5.133  -0.283  -1.574  1.00  0.00           H  
HETATM   51  H   UNL     1       4.282  -2.825  -0.451  1.00  0.00           H  
HETATM   52  H   UNL     1       2.959  -3.654   1.548  1.00  0.00           H  
HETATM   53  H   UNL     1       2.171  -1.994   1.714  1.00  0.00           H  
HETATM   54  H   UNL     1       1.210  -2.217  -0.622  1.00  0.00           H  
HETATM   55  H   UNL     1       1.998  -3.876  -0.788  1.00  0.00           H  
HETATM   56  H   UNL     1       4.474   1.297  -1.447  1.00  0.00           H  
HETATM   57  H   UNL     1       4.585   3.694  -1.816  1.00  0.00           H  
HETATM   58  H   UNL     1       2.795   5.129  -1.396  1.00  0.00           H  
HETATM   59  H   UNL     1       0.855   4.148  -0.024  1.00  0.00           H  
HETATM   60  H   UNL     1       0.921   3.814  -1.768  1.00  0.00           H  
HETATM   61  H   UNL     1       2.784   2.702   1.448  1.00  0.00           H  
HETATM   62  H   UNL     1       4.314   5.005   0.446  1.00  0.00           H  
HETATM   63  H   UNL     1       2.662   5.030   1.099  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.116   2.588   1.658  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.245   1.492   2.217  1.00  0.00           H  
HETATM   66  H   UNL     1       0.095   0.284  -1.958  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.035  -0.799  -1.377  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.582  -1.397   0.392  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.672  -0.438   1.889  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.713   1.429   0.632  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.623   0.470  -0.865  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.066  -1.266   0.160  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.156  -0.308   1.658  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.948  -1.299   0.892  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.918   0.273   2.481  1.00  0.00           H  
CONECT    1   18   22   44   45                                       
CONECT    2    3                                                      
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5    9                                       
CONECT    5    4                                                      
CONECT    6    3    7    7   46                                       
CONECT    7    6    6    8   47                                       
CONECT    8    7    9    9   48                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   11   49   50                                       
CONECT   11   10   12   15                                            
CONECT   12   11   13   14   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   12   13   54   55                                       
CONECT   15   11   17   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   24   24   18                                       
CONECT   18    1   17   19   56                                       
CONECT   19   18   20   57                                            
CONECT   20   19   21   23   58                                       
CONECT   21   20   24   59   60                                       
CONECT   22    1   23   61                                            
CONECT   23   20   22   62   63                                       
CONECT   24   17   17   21   25                                       
CONECT   25   24   28   28   26                                       
CONECT   26   25   27   27   64                                       
CONECT   27   26   26   30   65                                       
CONECT   28   25   25   29   66                                       
CONECT   29   28   30   30   67                                       
CONECT   30   27   29   29   31                                       
CONECT   31   30   32   68   69                                       
CONECT   32   31   33   70   71                                       
CONECT   33   32   34   72   73                                       
CONECT   34   33   35                                                 
CONECT   35   34   38   38   36                                       
CONECT   36   35   43   43   37                                       
CONECT   37   36                                                      
CONECT   38   35   35   39   40                                       
CONECT   39   38                                                      
CONECT   40   38   41   42   42                                       
CONECT   41   40                                                      
CONECT   42   40   40   43   74                                       
CONECT   43   36   36   42   75                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   42                                                      
CONECT   75   43                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
