COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.261   0.174  -0.798  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.715  -0.255  -2.092  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.808  -1.545  -2.526  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.347  -1.050  -1.181  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.722   0.308  -0.855  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.635   1.426  -0.351  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.152   1.181  -0.064  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.778   3.198   1.196  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.464   2.831   1.416  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.062   1.528   1.202  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.982   0.576   0.764  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.306   0.944   0.543  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.704   2.255   0.765  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.281  -1.630  -2.454  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.210   4.622   1.431  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.549  -0.824   0.528  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.297  -2.585  -0.030  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.301  -1.232   0.036  1.00  0.00           C  
HETATM   19  C   UNL     1       0.867  -0.364  -0.366  1.00  0.00           C  
HETATM   20  C   UNL     1       1.828  -2.511  -1.294  1.00  0.00           C  
HETATM   21  C   UNL     1       0.871  -3.413  -0.504  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.917  -4.424   0.487  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.555  -4.981   1.865  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.996  -6.443   1.956  1.00  0.00           C  
HETATM   25  C   UNL     1       3.239  -0.924  -0.068  1.00  0.00           C  
HETATM   26  C   UNL     1       4.411  -1.848  -0.274  1.00  0.00           C  
HETATM   27  C   UNL     1       5.658  -1.243   0.374  1.00  0.00           C  
HETATM   28  C   UNL     1       6.037   0.050  -0.354  1.00  0.00           C  
HETATM   29  C   UNL     1       7.318   0.618   0.259  1.00  0.00           C  
HETATM   30  C   UNL     1       8.078  -1.600   0.870  1.00  0.00           C  
HETATM   31  C   UNL     1       6.820  -2.235   0.275  1.00  0.00           C  
HETATM   32  C   UNL     1       9.679   0.195   0.591  1.00  0.00           C  
HETATM   33  C   UNL     1      10.226   1.143  -0.478  1.00  0.00           C  
HETATM   34  C   UNL     1      10.564   0.348  -1.740  1.00  0.00           C  
HETATM   35  C   UNL     1      11.111   1.296  -2.809  1.00  0.00           C  
HETATM   36  C   UNL     1      12.374   1.982  -2.284  1.00  0.00           C  
HETATM   37  C   UNL     1      12.035   2.777  -1.022  1.00  0.00           C  
HETATM   38  C   UNL     1      11.488   1.829   0.047  1.00  0.00           C  
HETATM   39  F   UNL     1     -10.180  -0.652  -3.537  1.00  0.00           F  
HETATM   40  F   UNL     1      -4.211   4.651   2.409  1.00  0.00           F  
HETATM   41  F   UNL     1      -2.114   5.377   1.864  1.00  0.00           F  
HETATM   42  F   UNL     1      -3.707   5.162   0.240  1.00  0.00           F  
HETATM   43  N   UNL     1      -2.267  -1.907   0.750  1.00  0.00           N  
HETATM   44  N   UNL     1      -1.494  -3.024   0.400  1.00  0.00           N  
HETATM   45  N   UNL     1       2.027  -1.254  -0.557  1.00  0.00           N  
HETATM   46  N   UNL     1       8.400  -0.368   0.138  1.00  0.00           N  
HETATM   47  O   UNL     1      -1.658  -6.963   3.244  1.00  0.00           O  
HETATM   48  O   UNL     1       3.385   0.116   0.538  1.00  0.00           O  
HETATM   49  S   UNL     1      -5.379   2.726   0.487  1.00  0.00           S  
HETATM   50  H   UNL     1      -7.993   0.467  -2.860  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.629  -0.315  -2.026  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.219  -2.532  -2.742  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.431  -0.947  -1.240  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.091  -1.766  -0.400  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.093   0.657   0.108  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.990   1.027  -1.630  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.734   2.180  -1.132  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.127   1.776   0.556  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.053   0.426   0.717  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.659   0.831  -0.971  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.749   3.566   1.755  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.034   1.245   1.374  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.022   0.210   0.204  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.888  -1.941  -3.422  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.992  -2.355  -1.694  1.00  0.00           H  
HETATM   66  H   UNL     1       0.641   0.155  -1.297  1.00  0.00           H  
HETATM   67  H   UNL     1       1.080   0.360   0.420  1.00  0.00           H  
HETATM   68  H   UNL     1       2.786  -3.016  -1.418  1.00  0.00           H  
HETATM   69  H   UNL     1       1.401  -2.295  -2.273  1.00  0.00           H  
HETATM   70  H   UNL     1       1.393  -3.834   0.355  1.00  0.00           H  
HETATM   71  H   UNL     1       0.513  -4.217  -1.147  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.411  -5.005  -0.284  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.995  -4.488   0.342  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.476  -4.917   2.011  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.061  -4.400   2.637  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.074  -6.507   1.811  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.490  -7.024   1.185  1.00  0.00           H  
HETATM   78  H   UNL     1       4.197  -2.815   0.183  1.00  0.00           H  
HETATM   79  H   UNL     1       4.585  -1.982  -1.342  1.00  0.00           H  
HETATM   80  H   UNL     1       5.454  -1.025   1.423  1.00  0.00           H  
HETATM   81  H   UNL     1       6.202  -0.163  -1.411  1.00  0.00           H  
HETATM   82  H   UNL     1       5.230   0.776  -0.251  1.00  0.00           H  
HETATM   83  H   UNL     1       7.599   1.531  -0.267  1.00  0.00           H  
HETATM   84  H   UNL     1       7.148   0.844   1.312  1.00  0.00           H  
HETATM   85  H   UNL     1       7.905  -1.365   1.920  1.00  0.00           H  
HETATM   86  H   UNL     1       8.911  -2.299   0.787  1.00  0.00           H  
HETATM   87  H   UNL     1       6.573  -3.141   0.828  1.00  0.00           H  
HETATM   88  H   UNL     1       6.997  -2.484  -0.772  1.00  0.00           H  
HETATM   89  H   UNL     1      10.391  -0.612   0.760  1.00  0.00           H  
HETATM   90  H   UNL     1       9.525   0.744   1.520  1.00  0.00           H  
HETATM   91  H   UNL     1       9.474   1.897  -0.714  1.00  0.00           H  
HETATM   92  H   UNL     1      11.316  -0.406  -1.504  1.00  0.00           H  
HETATM   93  H   UNL     1       9.665  -0.141  -2.114  1.00  0.00           H  
HETATM   94  H   UNL     1      11.353   0.729  -3.708  1.00  0.00           H  
HETATM   95  H   UNL     1      10.360   2.049  -3.045  1.00  0.00           H  
HETATM   96  H   UNL     1      13.126   1.228  -2.048  1.00  0.00           H  
HETATM   97  H   UNL     1      12.764   2.657  -3.046  1.00  0.00           H  
HETATM   98  H   UNL     1      12.935   3.266  -0.648  1.00  0.00           H  
HETATM   99  H   UNL     1      11.284   3.531  -1.258  1.00  0.00           H  
HETATM  100  H   UNL     1      11.247   2.396   0.946  1.00  0.00           H  
HETATM  101  H   UNL     1      12.240   1.076   0.283  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.909  -7.888   3.372  1.00  0.00           H  
CONECT    1    2    5    6                                            
CONECT    2   14    1   50   51                                       
CONECT    3   14    4   39   52                                       
CONECT    4    3    5   53   54                                       
CONECT    5    4    1   55   56                                       
CONECT    6    1    7   57   58                                       
CONECT    7    6   49   59   60                                       
CONECT    8   13   13    9   15                                       
CONECT    9   10   10    8   61                                       
CONECT   10   11    9    9   62                                       
CONECT   11   16   12   12   10                                       
CONECT   12   11   11   13   63                                       
CONECT   13   12   49    8    8                                       
CONECT   14    3    2   64   65                                       
CONECT   15    8   41   40   42                                       
CONECT   16   43   43   18   11                                       
CONECT   17   21   44   18   18                                       
CONECT   18   17   17   19   16                                       
CONECT   19   45   18   66   67                                       
CONECT   20   21   45   68   69                                       
CONECT   21   20   17   70   71                                       
CONECT   22   23   44   72   73                                       
CONECT   23   24   22   74   75                                       
CONECT   24   47   23   76   77                                       
CONECT   25   26   45   48   48                                       
CONECT   26   27   25   78   79                                       
CONECT   27   28   31   26   80                                       
CONECT   28   29   27   81   82                                       
CONECT   29   46   28   83   84                                       
CONECT   30   46   31   85   86                                       
CONECT   31   30   27   87   88                                       
CONECT   32   33   46   89   90                                       
CONECT   33   34   32   38   91                                       
CONECT   34   35   33   92   93                                       
CONECT   35   34   36   94   95                                       
CONECT   36   35   37   96   97                                       
CONECT   37   36   38   98   99                                       
CONECT   38   33   37  100  101                                       
CONECT   39    3                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   44   16   16                                            
CONECT   44   22   17   43                                            
CONECT   45   20   25   19                                            
CONECT   46   32   29   30                                            
CONECT   47   24  102                                                 
CONECT   48   25   25                                                 
CONECT   49    7   13                                                 
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   38                                                      
CONECT  102   47                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
