COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.874   1.093  -1.550  1.00  0.00           N  
HETATM    2  N   UNL     1      -0.526   3.458  -1.656  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.646   0.109   0.946  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.943   0.650   0.650  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.972   0.762  -0.445  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.764   0.530  -1.762  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.973   0.745  -2.433  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.498   0.179   1.609  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.523  -0.190   2.694  1.00  0.00           C  
HETATM   10  C   UNL     1       0.465   2.684  -1.245  1.00  0.00           C  
HETATM   11  C   UNL     1       1.741   4.681  -0.820  1.00  0.00           C  
HETATM   12  C   UNL     1       3.856   3.574   0.039  1.00  0.00           C  
HETATM   13  C   UNL     1       5.178   3.215   0.565  1.00  0.00           C  
HETATM   14  C   UNL     1       6.162   4.089   0.923  1.00  0.00           C  
HETATM   15  C   UNL     1       6.881   2.018   1.268  1.00  0.00           C  
HETATM   16  C   UNL     1       2.723   0.560   1.002  1.00  0.00           C  
HETATM   17  C   UNL     1       2.888  -0.805   1.110  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.913   0.809  -1.714  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.689   0.256   0.087  1.00  0.00           O  
HETATM   20  S   UNL     1       3.307   5.217  -0.230  1.00  0.00           S  
HETATM   21  C   UNL     1      -1.201  -0.516  -1.006  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.266   1.110  -0.288  1.00  0.00           N  
HETATM   23  O   UNL     1       0.332   1.336  -1.250  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.399  -0.266   0.467  1.00  0.00           C  
HETATM   25  O   UNL     1       5.630   1.962   0.784  1.00  0.00           O  
HETATM   26  N   UNL     1       0.684   5.379  -1.254  1.00  0.00           N  
HETATM   27  O   UNL     1       3.571  -2.875   0.153  1.00  0.00           O  
HETATM   28  N   UNL     1       2.874  -5.610  -0.480  1.00  0.00           N  
HETATM   29  O   UNL     1      -1.926   0.179  -3.875  1.00  0.00           O  
HETATM   30  N   UNL     1       0.820  -7.559  -0.784  1.00  0.00           N  
HETATM   31  O   UNL     1       0.206   0.752  -3.787  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.920   1.448   0.979  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.825   0.339   2.302  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.763   0.189   3.173  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.340  -0.409   1.341  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.409   4.774  -1.657  1.00  0.00           C  
HETATM   37  C   UNL     1       1.668   3.286  -0.799  1.00  0.00           C  
HETATM   38  C   UNL     1       2.892   2.676  -0.303  1.00  0.00           C  
HETATM   39  C   UNL     1       7.249   3.315   1.369  1.00  0.00           C  
HETATM   40  C   UNL     1       3.073   1.213  -0.181  1.00  0.00           C  
HETATM   41  C   UNL     1       2.158   1.345   2.158  1.00  0.00           C  
HETATM   42  C   UNL     1       3.409  -1.529   0.044  1.00  0.00           C  
HETATM   43  C   UNL     1       4.111  -3.557  -0.980  1.00  0.00           C  
HETATM   44  C   UNL     1       4.219  -5.052  -0.672  1.00  0.00           C  
HETATM   45  C   UNL     1       2.185  -5.779  -1.767  1.00  0.00           C  
HETATM   46  C   UNL     1       0.762  -6.287  -1.518  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.525  -8.117  -0.592  1.00  0.00           C  
HETATM   48  C   UNL     1       1.509  -7.389   0.503  1.00  0.00           C  
HETATM   49  C   UNL     1       2.931  -6.882   0.255  1.00  0.00           C  
HETATM   50  C   UNL     1       3.764  -0.883  -1.132  1.00  0.00           C  
HETATM   51  C   UNL     1       3.596   0.481  -1.249  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.836   0.578  -3.201  1.00  0.00           C  
HETATM   53 CL   UNL     1       2.446  -1.619   2.578  1.00  0.00          Cl  
HETATM   54  F   UNL     1      -7.466  -0.735   1.845  1.00  0.00           F  
HETATM   55  F   UNL     1      -9.123   0.502   2.818  1.00  0.00           F  
HETATM   56  F   UNL     1      -9.434  -0.389   0.738  1.00  0.00           F  
HETATM   57  F   UNL     1       7.645   0.955   1.601  1.00  0.00           F  
HETATM   58  H   UNL     1      -4.832   1.615   1.144  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.265  -0.095   1.377  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.830   0.233  -2.215  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.134   0.641  -3.495  1.00  0.00           H  
HETATM   62  H   UNL     1       0.306  -0.307   3.376  1.00  0.00           H  
HETATM   63  H   UNL     1       6.116   5.167   0.873  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.711   1.519  -1.497  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.104  -0.962  -1.423  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.361  -1.195  -1.149  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.828   0.043  -4.828  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.724   2.161   0.794  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.191   1.891   1.658  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.794   0.636   2.677  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.905   0.359   4.230  1.00  0.00           H  
HETATM   72  H   UNL     1       0.631  -0.701   0.969  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.240   5.372  -2.001  1.00  0.00           H  
HETATM   74  H   UNL     1       8.198   3.687   1.728  1.00  0.00           H  
HETATM   75  H   UNL     1       2.971   1.678   2.803  1.00  0.00           H  
HETATM   76  H   UNL     1       1.617   2.212   1.779  1.00  0.00           H  
HETATM   77  H   UNL     1       1.478   0.713   2.729  1.00  0.00           H  
HETATM   78  H   UNL     1       3.457  -3.410  -1.839  1.00  0.00           H  
HETATM   79  H   UNL     1       5.101  -3.160  -1.205  1.00  0.00           H  
HETATM   80  H   UNL     1       4.804  -5.194   0.237  1.00  0.00           H  
HETATM   81  H   UNL     1       4.708  -5.560  -1.503  1.00  0.00           H  
HETATM   82  H   UNL     1       2.144  -4.822  -2.286  1.00  0.00           H  
HETATM   83  H   UNL     1       2.727  -6.501  -2.377  1.00  0.00           H  
HETATM   84  H   UNL     1       0.259  -6.441  -2.473  1.00  0.00           H  
HETATM   85  H   UNL     1       0.212  -5.552  -0.931  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.987  -8.295  -1.563  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.453  -9.058  -0.046  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.133  -7.413  -0.024  1.00  0.00           H  
HETATM   89  H   UNL     1       0.966  -6.667   1.114  1.00  0.00           H  
HETATM   90  H   UNL     1       1.549  -8.347   1.022  1.00  0.00           H  
HETATM   91  H   UNL     1       3.482  -7.616  -0.333  1.00  0.00           H  
HETATM   92  H   UNL     1       3.434  -6.728   1.209  1.00  0.00           H  
HETATM   93  H   UNL     1       4.168  -1.449  -1.957  1.00  0.00           H  
HETATM   94  H   UNL     1       3.873   0.984  -2.164  1.00  0.00           H  
CONECT    1    7    7   22                                            
CONECT    2   10   10   36                                            
CONECT    3   24   19   33   33                                       
CONECT    4   19    5   58   59                                       
CONECT    5    6    6   22    4                                       
CONECT    6    7    5    5   60                                       
CONECT    7    6    1    1   61                                       
CONECT    8   32   54   56   55                                       
CONECT    9   35   34   34   62                                       
CONECT   10   23    2    2   37                                       
CONECT   11   37   37   26   20                                       
CONECT   12   38   38   13   20                                       
CONECT   13   14   14   12   25                                       
CONECT   14   39   13   13   63                                       
CONECT   15   39   39   25   57                                       
CONECT   16   17   17   40   41                                       
CONECT   17   42   53   16   16                                       
CONECT   18   21   52   23   64                                       
CONECT   19    3    4                                                 
CONECT   20   12   11                                                 
CONECT   21   24   18   65   66                                       
CONECT   22    1    5   32                                            
CONECT   23   18   10                                                 
CONECT   24   21   35   35    3                                       
CONECT   25   13   15                                                 
CONECT   26   36   36   11                                            
CONECT   27   43   42                                                 
CONECT   28   49   44   45                                            
CONECT   29   52   67                                                 
CONECT   30   48   47   46                                            
CONECT   31   52   52                                                 
CONECT   32   22    8   68   69                                       
CONECT   33    3    3   34   70                                       
CONECT   34    9    9   33   71                                       
CONECT   35   24   24    9   72                                       
CONECT   36    2   26   26   73                                       
CONECT   37   10   38   11   11                                       
CONECT   38   40   37   12   12                                       
CONECT   39   14   15   15   74                                       
CONECT   40   51   51   16   38                                       
CONECT   41   16   75   76   77                                       
CONECT   42   27   50   50   17                                       
CONECT   43   44   27   78   79                                       
CONECT   44   28   43   80   81                                       
CONECT   45   28   46   82   83                                       
CONECT   46   30   45   84   85                                       
CONECT   47   30   86   87   88                                       
CONECT   48   49   30   89   90                                       
CONECT   49   48   28   91   92                                       
CONECT   50   42   42   51   93                                       
CONECT   51   50   40   40   94                                       
CONECT   52   31   31   29   18                                       
CONECT   53   17                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57   15                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    9                                                      
CONECT   63   14                                                      
CONECT   64   18                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   29                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
CONECT   90   48                                                      
CONECT   91   49                                                      
CONECT   92   49                                                      
CONECT   93   50                                                      
CONECT   94   51                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
