COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       1.445  -2.810   0.087  1.00  0.00          Cl  
HETATM    2  C   UNL     1       2.493  -1.578   0.716  1.00  0.00           C  
HETATM    3  C   UNL     1       3.734  -1.369   0.145  1.00  0.00           C  
HETATM    4  C   UNL     1       4.572  -0.383   0.649  1.00  0.00           C  
HETATM    5  N   UNL     1       5.826  -0.169   0.074  1.00  0.00           N  
HETATM    6  C   UNL     1       6.542   0.916   0.760  1.00  0.00           C  
HETATM    7  C   UNL     1       7.939   1.066   0.153  1.00  0.00           C  
HETATM    8  C   UNL     1       5.706   0.111  -1.364  1.00  0.00           C  
HETATM    9  C   UNL     1       7.103   0.260  -1.971  1.00  0.00           C  
HETATM   10  N   UNL     1       7.819   1.345  -1.285  1.00  0.00           N  
HETATM   11  C   UNL     1       9.138   1.570  -1.890  1.00  0.00           C  
HETATM   12  C   UNL     1       8.962   2.099  -3.315  1.00  0.00           C  
HETATM   13  C   UNL     1       4.159   0.391   1.727  1.00  0.00           C  
HETATM   14  C   UNL     1       2.918   0.177   2.293  1.00  0.00           C  
HETATM   15  C   UNL     1       2.083  -0.801   1.786  1.00  0.00           C  
HETATM   16  S   UNL     1       0.497  -1.066   2.507  1.00  0.00           S  
HETATM   17  O   UNL     1       0.354  -2.479   2.532  1.00  0.00           O  
HETATM   18  O   UNL     1       0.530  -0.312   3.711  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.666  -0.328   1.326  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.864  -1.248   0.095  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.101  -0.281   1.914  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.992  -0.306   0.655  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.406   1.097   0.292  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.082   1.567  -0.777  1.00  0.00           O  
HETATM   25  N   UNL     1      -4.137   1.828   1.156  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.540   3.192   0.804  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.368   3.971   1.827  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.027   3.446   0.550  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.549   3.968  -0.025  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.304   3.677   0.026  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.193  -0.889  -0.433  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.606  -1.064  -1.704  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.835  -1.486  -2.540  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.027  -0.738  -2.086  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.109  -1.477  -1.297  1.00  0.00           C  
HETATM   36  F   UNL     1      -5.215  -0.921  -0.017  1.00  0.00           F  
HETATM   37  F   UNL     1      -6.335  -1.357  -1.960  1.00  0.00           F  
HETATM   38  F   UNL     1      -4.767  -2.830  -1.190  1.00  0.00           F  
HETATM   39  C   UNL     1      -4.311  -0.433  -3.558  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.329   0.696  -2.525  1.00  0.00           C  
HETATM   41  H   UNL     1      -3.890   4.771  -0.663  1.00  0.00           H  
HETATM   42  H   UNL     1       2.597   0.779   3.131  1.00  0.00           H  
HETATM   43  H   UNL     1       4.808   1.158   2.121  1.00  0.00           H  
HETATM   44  H   UNL     1       4.052  -1.972  -0.693  1.00  0.00           H  
HETATM   45  H   UNL     1       5.991   1.849   0.638  1.00  0.00           H  
HETATM   46  H   UNL     1       6.629   0.681   1.820  1.00  0.00           H  
HETATM   47  H   UNL     1       5.184  -0.713  -1.852  1.00  0.00           H  
HETATM   48  H   UNL     1       5.145   1.034  -1.510  1.00  0.00           H  
HETATM   49  H   UNL     1       8.461   1.889   0.641  1.00  0.00           H  
HETATM   50  H   UNL     1       8.499   0.142   0.298  1.00  0.00           H  
HETATM   51  H   UNL     1       7.654  -0.673  -1.850  1.00  0.00           H  
HETATM   52  H   UNL     1       7.015   0.496  -3.032  1.00  0.00           H  
HETATM   53  H   UNL     1       9.690   2.300  -1.297  1.00  0.00           H  
HETATM   54  H   UNL     1       9.691   0.631  -1.916  1.00  0.00           H  
HETATM   55  H   UNL     1       8.410   3.038  -3.289  1.00  0.00           H  
HETATM   56  H   UNL     1       9.941   2.266  -3.764  1.00  0.00           H  
HETATM   57  H   UNL     1       8.411   1.369  -3.908  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.334   0.665   1.023  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.094  -1.054  -0.651  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.847  -2.295   0.397  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.290  -1.154   2.539  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.256   0.639   2.478  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.875  -0.918   0.838  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.396   1.452   2.012  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.614   3.469   2.763  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.197   5.045   1.901  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.289   4.175  -0.217  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.706   2.599   0.645  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.667   4.177  -0.507  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.470  -0.469  -4.251  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.268  -0.759  -3.964  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.298   1.113  -2.252  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.500   1.404  -2.538  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3   15   15                                       
CONECT    3    2    4    4   44                                       
CONECT    4    3    3    5   13                                       
CONECT    5    4    6    8                                            
CONECT    6    5    7   45   46                                       
CONECT    7    6   10   49   50                                       
CONECT    8    5    9   47   48                                       
CONECT    9    8   10   51   52                                       
CONECT   10    7    9   11                                            
CONECT   11   10   12   53   54                                       
CONECT   12   11   55   56   57                                       
CONECT   13    4   14   14   43                                       
CONECT   14   13   13   15   42                                       
CONECT   15    2    2   14   16                                       
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   20   21   58                                       
CONECT   20   19   31   59   60                                       
CONECT   21   19   22   61   62                                       
CONECT   22   21   23   31   63                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   64                                            
CONECT   26   25   27   28   29                                       
CONECT   27   26   28   65   66                                       
CONECT   28   26   27   67   68                                       
CONECT   29   26   30   30   41                                       
CONECT   30   29   29   69                                            
CONECT   31   20   22   32                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35   39   40                                       
CONECT   35   34   36   37   38                                       
CONECT   36   35                                                      
CONECT   37   35                                                      
CONECT   38   35                                                      
CONECT   39   34   40   70   71                                       
CONECT   40   34   39   72   73                                       
CONECT   41   29                                                      
CONECT   42   14                                                      
CONECT   43   13                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
