COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.163  -0.491  -0.750  1.00  0.00           N  
HETATM    2  C   UNL     1       1.157  -0.422  -0.658  1.00  0.00           C  
HETATM    3  C   UNL     1       3.155   0.921  -0.546  1.00  0.00           C  
HETATM    4  C   UNL     1       5.156   0.200   0.565  1.00  0.00           C  
HETATM    5  C   UNL     1       7.647   1.600   1.544  1.00  0.00           C  
HETATM    6  C   UNL     1       9.158   1.658   1.775  1.00  0.00           C  
HETATM    7  C   UNL     1       9.546   0.027   0.025  1.00  0.00           C  
HETATM    8  C   UNL     1       5.255   1.964  -1.056  1.00  0.00           C  
HETATM    9  C   UNL     1       3.890   1.862  -1.256  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.872   2.824   2.157  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.502   1.349   2.327  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.029   1.148   1.966  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.734   0.930   3.780  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.909   0.724  -0.819  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.178  -0.419  -0.527  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.907  -0.581  -1.059  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.786  -1.662  -0.671  1.00  0.00           C  
HETATM   18  C   UNL     1       3.793   0.089   0.365  1.00  0.00           C  
HETATM   19  C   UNL     1       5.886   1.137  -0.142  1.00  0.00           C  
HETATM   20  C   UNL     1       7.372   1.254   0.078  1.00  0.00           C  
HETATM   21  C   UNL     1       9.234  -0.701   2.313  1.00  0.00           C  
HETATM   22  C   UNL     1       8.046  -0.079  -0.258  1.00  0.00           C  
HETATM   23  C   UNL     1       1.344  -2.705  -0.398  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.030  -2.822  -0.488  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.696  -4.170  -0.392  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.369   0.401  -1.882  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.098   1.538  -2.171  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.365   1.703  -1.643  1.00  0.00           C  
HETATM   29  F   UNL     1       5.971   2.879  -1.746  1.00  0.00           F  
HETATM   30  F   UNL     1      -1.407  -4.423  -1.570  1.00  0.00           F  
HETATM   31  F   UNL     1       0.276  -5.159  -0.212  1.00  0.00           F  
HETATM   32  F   UNL     1      -1.577  -4.178   0.695  1.00  0.00           F  
HETATM   33  N   UNL     1      -6.192   0.889  -0.289  1.00  0.00           N  
HETATM   34  N   UNL     1      -2.168  -1.732  -0.767  1.00  0.00           N  
HETATM   35  N   UNL     1       1.776   0.815  -0.745  1.00  0.00           N  
HETATM   36  N   UNL     1       9.756   0.359   1.440  1.00  0.00           N  
HETATM   37  N   UNL     1       1.899  -1.505  -0.485  1.00  0.00           N  
HETATM   38  O   UNL     1      -6.085  -1.011   1.228  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.910   0.649   1.416  1.00  0.00           O  
HETATM   40  S   UNL     1      -6.536   0.337   1.233  1.00  0.00           S  
HETATM   41 CL   UNL     1      -5.277   3.134  -2.009  1.00  0.00          Cl  
HETATM   42  H   UNL     1       5.650  -0.444   1.277  1.00  0.00           H  
HETATM   43  H   UNL     1       7.209   0.836   2.187  1.00  0.00           H  
HETATM   44  H   UNL     1       7.205   2.569   1.778  1.00  0.00           H  
HETATM   45  H   UNL     1       9.593   2.432   1.143  1.00  0.00           H  
HETATM   46  H   UNL     1       9.357   1.890   2.822  1.00  0.00           H  
HETATM   47  H   UNL     1      10.027  -0.925  -0.200  1.00  0.00           H  
HETATM   48  H   UNL     1       9.979   0.809  -0.599  1.00  0.00           H  
HETATM   49  H   UNL     1       3.396   2.513  -1.962  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.922   2.967   2.414  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.251   3.433   2.814  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.707   3.123   1.122  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.864   1.447   0.931  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.408   1.757   2.623  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.766   0.098   2.088  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.470  -0.121   3.901  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.112   1.538   4.437  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.783   1.073   4.037  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.598  -1.180   0.113  1.00  0.00           H  
HETATM   60  H   UNL     1       3.224  -0.643   0.919  1.00  0.00           H  
HETATM   61  H   UNL     1       7.774   2.039  -0.563  1.00  0.00           H  
HETATM   62  H   UNL     1       8.153  -0.772   2.191  1.00  0.00           H  
HETATM   63  H   UNL     1       9.693  -1.652   2.043  1.00  0.00           H  
HETATM   64  H   UNL     1       9.469  -0.466   3.351  1.00  0.00           H  
HETATM   65  H   UNL     1       7.890  -0.310  -1.312  1.00  0.00           H  
HETATM   66  H   UNL     1       7.615  -0.870   0.356  1.00  0.00           H  
HETATM   67  H   UNL     1       1.958  -3.582  -0.256  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.379   0.275  -2.296  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.678   2.300  -2.811  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.880   1.327  -0.814  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.621  -2.578  -0.631  1.00  0.00           H  
HETATM   72  H   UNL     1       1.252   1.607  -0.943  1.00  0.00           H  
CONECT    1    2    2   17                                            
CONECT    2   35    1    1   37                                       
CONECT    3   18   18    9   35                                       
CONECT    4   19   19   18   42                                       
CONECT    5    6   20   43   44                                       
CONECT    6   36    5   45   46                                       
CONECT    7   36   22   47   48                                       
CONECT    8   19   29    9    9                                       
CONECT    9    8    8    3   49                                       
CONECT   10   11   50   51   52                                       
CONECT   11   13   12   40   10                                       
CONECT   12   11   53   54   55                                       
CONECT   13   11   56   57   58                                       
CONECT   14   33   15   15   28                                       
CONECT   15   14   14   16   59                                       
CONECT   16   15   26   26   34                                       
CONECT   17    1   34   24   24                                       
CONECT   18    4    3    3   60                                       
CONECT   19   20    4    4    8                                       
CONECT   20    5   22   19   61                                       
CONECT   21   36   62   63   64                                       
CONECT   22    7   20   65   66                                       
CONECT   23   37   37   24   67                                       
CONECT   24   17   17   23   25                                       
CONECT   25   24   30   31   32                                       
CONECT   26   16   16   27   68                                       
CONECT   27   28   28   26   69                                       
CONECT   28   41   14   27   27                                       
CONECT   29    8                                                      
CONECT   30   25                                                      
CONECT   31   25                                                      
CONECT   32   25                                                      
CONECT   33   40   14   70                                            
CONECT   34   16   17   71                                            
CONECT   35    3    2   72                                            
CONECT   36   21    6    7                                            
CONECT   37    2   23   23                                            
CONECT   38   40   40                                                 
CONECT   39   40   40                                                 
CONECT   40   39   39   11   38                                       
CONECT   40   38   33                                                 
CONECT   41   28                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
