COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.632   2.598  -0.599  1.00  0.00           N  
HETATM    2  N   UNL     1     -10.603  -2.251   0.086  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.990   2.418  -1.212  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.860   3.571  -1.950  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.890   3.976  -2.789  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.904   1.940  -0.284  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.809   4.059  -0.631  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.649   2.238   0.307  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.405  -3.483   1.597  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.223  -4.566   2.453  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.387  -5.400   1.862  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.612   2.201   1.243  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.198   2.598   1.336  1.00  0.00           C  
HETATM   14  C   UNL     1       2.880   2.454   0.254  1.00  0.00           C  
HETATM   15  C   UNL     1       3.997   0.512   1.099  1.00  0.00           C  
HETATM   16  C   UNL     1       4.026   0.992  -1.256  1.00  0.00           C  
HETATM   17  C   UNL     1       5.529  -1.831   0.709  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.048   3.230  -2.894  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.189   2.069  -2.161  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.161   1.656  -1.316  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.618   4.422  -1.877  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.306   0.414  -0.528  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.410   0.054   0.209  1.00  0.00           O  
HETATM   24  N   UNL     1      -9.433  -0.318  -0.628  1.00  0.00           N  
HETATM   25  C   UNL     1      -9.569  -1.482   0.110  1.00  0.00           C  
HETATM   26  S   UNL     1      -8.357  -2.119   1.213  1.00  0.00           S  
HETATM   27  C   UNL     1     -10.588  -3.351   0.863  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.209  -5.519   2.584  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.583  -4.340   1.014  1.00  0.00           C  
HETATM   30  S   UNL     1      -3.873   1.137   1.663  1.00  0.00           S  
HETATM   31  C   UNL     1      -2.185   1.348   2.120  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.424   2.654   0.283  1.00  0.00           N  
HETATM   33  O   UNL     1       0.501   2.153   2.226  1.00  0.00           O  
HETATM   34  N   UNL     1       0.322   3.453   0.433  1.00  0.00           N  
HETATM   35  S   UNL     1       1.913   3.899   0.537  1.00  0.00           S  
HETATM   36  O   UNL     1       2.138   4.274   1.889  1.00  0.00           O  
HETATM   37  O   UNL     1       2.159   4.767  -0.561  1.00  0.00           O  
HETATM   38  C   UNL     1       3.244   1.648   1.318  1.00  0.00           C  
HETATM   39  C   UNL     1       4.389   0.178  -0.191  1.00  0.00           C  
HETATM   40  C   UNL     1       3.269   2.124  -1.031  1.00  0.00           C  
HETATM   41  N   UNL     1       5.147  -0.974  -0.416  1.00  0.00           N  
HETATM   42  C   UNL     1       5.772  -3.255   0.205  1.00  0.00           C  
HETATM   43  S   UNL     1       4.254  -3.895  -0.554  1.00  0.00           S  
HETATM   44  C   UNL     1       4.720  -5.516  -1.066  1.00  0.00           C  
HETATM   45  C   UNL     1       6.008  -5.978  -0.826  1.00  0.00           C  
HETATM   46  C   UNL     1       6.370  -7.249  -1.228  1.00  0.00           C  
HETATM   47  C   UNL     1       5.451  -8.061  -1.868  1.00  0.00           C  
HETATM   48  C   UNL     1       4.168  -7.604  -2.109  1.00  0.00           C  
HETATM   49  C   UNL     1       3.798  -6.337  -1.704  1.00  0.00           C  
HETATM   50  C   UNL     1       6.809  -1.291   1.349  1.00  0.00           C  
HETATM   51  C   UNL     1       6.532   0.083   1.963  1.00  0.00           C  
HETATM   52  N   UNL     1       7.761   0.601   2.578  1.00  0.00           N  
HETATM   53  C   UNL     1       8.158  -0.217   3.734  1.00  0.00           C  
HETATM   54  C   UNL     1       9.472   0.321   4.306  1.00  0.00           C  
HETATM   55  O   UNL     1       9.307   1.699   4.650  1.00  0.00           O  
HETATM   56  C   UNL     1       8.921   2.526   3.548  1.00  0.00           C  
HETATM   57  C   UNL     1       7.602   2.010   2.968  1.00  0.00           C  
HETATM   58  S   UNL     1       4.522   0.573  -2.895  1.00  0.00           S  
HETATM   59  O   UNL     1       4.122  -0.782  -3.046  1.00  0.00           O  
HETATM   60  O   UNL     1       3.959   1.597  -3.703  1.00  0.00           O  
HETATM   61  C   UNL     1       6.331   0.704  -2.868  1.00  0.00           C  
HETATM   62  F   UNL     1       6.839   0.390  -4.133  1.00  0.00           F  
HETATM   63  F   UNL     1       6.699   2.011  -2.529  1.00  0.00           F  
HETATM   64  F   UNL     1       6.849  -0.187  -1.922  1.00  0.00           F  
HETATM   65  H   UNL     1      -7.785   4.884  -3.365  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.787   0.862  -0.392  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.183   2.170   0.745  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.346   4.383   0.261  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.835   4.545  -0.673  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.305  -4.660   3.016  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.157  -6.150   1.968  1.00  0.00           H  
HETATM   72  H   UNL     1       4.277  -0.119   1.930  1.00  0.00           H  
HETATM   73  H   UNL     1       4.728  -1.839   1.448  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.842   3.555  -3.549  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.093   1.484  -2.242  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.010   4.251  -2.765  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.902   5.473  -1.831  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.149  -0.031  -1.216  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.064  -6.358   3.249  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.506  -4.261   0.458  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.693   0.879   2.960  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.236   3.807  -0.277  1.00  0.00           H  
HETATM   83  H   UNL     1       2.938   1.908   2.321  1.00  0.00           H  
HETATM   84  H   UNL     1       2.979   2.753  -1.860  1.00  0.00           H  
HETATM   85  H   UNL     1       5.420  -1.206  -1.317  1.00  0.00           H  
HETATM   86  H   UNL     1       6.573  -3.247  -0.534  1.00  0.00           H  
HETATM   87  H   UNL     1       6.056  -3.893   1.042  1.00  0.00           H  
HETATM   88  H   UNL     1       6.726  -5.345  -0.327  1.00  0.00           H  
HETATM   89  H   UNL     1       7.371  -7.609  -1.043  1.00  0.00           H  
HETATM   90  H   UNL     1       5.737  -9.054  -2.182  1.00  0.00           H  
HETATM   91  H   UNL     1       3.454  -8.241  -2.609  1.00  0.00           H  
HETATM   92  H   UNL     1       2.794  -5.982  -1.887  1.00  0.00           H  
HETATM   93  H   UNL     1       7.143  -1.977   2.128  1.00  0.00           H  
HETATM   94  H   UNL     1       7.585  -1.200   0.589  1.00  0.00           H  
HETATM   95  H   UNL     1       6.199   0.768   1.184  1.00  0.00           H  
HETATM   96  H   UNL     1       5.756  -0.009   2.723  1.00  0.00           H  
HETATM   97  H   UNL     1       7.381  -0.169   4.497  1.00  0.00           H  
HETATM   98  H   UNL     1       8.295  -1.251   3.417  1.00  0.00           H  
HETATM   99  H   UNL     1       9.740  -0.247   5.197  1.00  0.00           H  
HETATM  100  H   UNL     1      10.261   0.224   3.560  1.00  0.00           H  
HETATM  101  H   UNL     1       8.792   3.552   3.891  1.00  0.00           H  
HETATM  102  H   UNL     1       9.695   2.493   2.781  1.00  0.00           H  
HETATM  103  H   UNL     1       7.333   2.601   2.093  1.00  0.00           H  
HETATM  104  H   UNL     1       6.817   2.093   3.719  1.00  0.00           H  
CONECT    1    7    6    8                                            
CONECT    2   25   25   27                                            
CONECT    3    4    4   20    6                                       
CONECT    4    5   21    3    3                                       
CONECT    5   18   18    4   65                                       
CONECT    6    3    1   66   67                                       
CONECT    7   21    1   68   69                                       
CONECT    8    1   32   32   30                                       
CONECT    9   27   26   10   10                                       
CONECT   10    9    9   28   70                                       
CONECT   11   29   28   28   71                                       
CONECT   12   32   13   31   31                                       
CONECT   13   33   33   12   34                                       
CONECT   14   38   35   40   40                                       
CONECT   15   38   38   39   72                                       
CONECT   16   39   39   40   58                                       
CONECT   17   42   50   41   73                                       
CONECT   18    5    5   19   74                                       
CONECT   19   18   20   20   75                                       
CONECT   20   19   19    3   22                                       
CONECT   21    7    4   76   77                                       
CONECT   22   20   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   78                                            
CONECT   25   24    2    2   26                                       
CONECT   26   25    9                                                 
CONECT   27    2   29   29    9                                       
CONECT   28   11   11   10   79                                       
CONECT   29   27   27   11   80                                       
CONECT   30    8   31                                                 
CONECT   31   12   12   30   81                                       
CONECT   32    8    8   12                                            
CONECT   33   13   13                                                 
CONECT   34   13   35   82                                            
CONECT   35   36   36   34   14                                       
CONECT   35   37   37                                                 
CONECT   36   35   35                                                 
CONECT   37   35   35                                                 
CONECT   38   15   15   14   83                                       
CONECT   39   15   41   16   16                                       
CONECT   40   14   14   16   84                                       
CONECT   41   17   39   85                                            
CONECT   42   17   43   86   87                                       
CONECT   43   42   44                                                 
CONECT   44   45   43   49   49                                       
CONECT   45   46   46   44   88                                       
CONECT   46   45   45   47   89                                       
CONECT   47   46   48   48   90                                       
CONECT   48   47   47   49   91                                       
CONECT   49   44   44   48   92                                       
CONECT   50   17   51   93   94                                       
CONECT   51   52   50   95   96                                       
CONECT   52   53   51   57                                            
CONECT   53   54   52   97   98                                       
CONECT   54   53   55   99  100                                       
CONECT   55   54   56                                                 
CONECT   56   55   57  101  102                                       
CONECT   57   52   56  103  104                                       
CONECT   58   16   59   59   61                                       
CONECT   58   60   60                                                 
CONECT   59   58   58                                                 
CONECT   60   58   58                                                 
CONECT   61   58   62   63   64                                       
CONECT   62   61                                                      
CONECT   63   61                                                      
CONECT   64   61                                                      
CONECT   65    5                                                      
CONECT   66    6                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    7                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   24                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   31                                                      
CONECT   82   34                                                      
CONECT   83   38                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   42                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   48                                                      
CONECT   92   49                                                      
CONECT   93   50                                                      
CONECT   94   50                                                      
CONECT   95   51                                                      
CONECT   96   51                                                      
CONECT   97   53                                                      
CONECT   98   53                                                      
CONECT   99   54                                                      
CONECT  100   54                                                      
CONECT  101   56                                                      
CONECT  102   56                                                      
CONECT  103   57                                                      
CONECT  104   57                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
