COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1     -10.172  -2.812   0.195  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.130  -3.425   0.071  1.00  0.00           C  
HETATM    3  O   UNL     1      -9.106  -4.580  -0.620  1.00  0.00           O  
HETATM    4  C   UNL     1     -10.363  -5.034  -1.189  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.996  -2.945   0.620  1.00  0.00           N  
HETATM    6  C   UNL     1      -8.020  -1.685   1.367  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.398  -1.951   2.838  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.036  -2.045   3.570  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.192  -0.958   2.860  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.617  -1.054   1.380  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.664   0.342   0.757  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.699   1.145   1.428  1.00  0.00           C  
HETATM   13  N   UNL     1      -8.498   1.764   1.946  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.991   0.227  -0.710  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.411   1.339  -1.414  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.711   1.233  -2.761  1.00  0.00           C  
HETATM   17  F   UNL     1      -8.121   2.320  -3.450  1.00  0.00           F  
HETATM   18  C   UNL     1      -7.590   0.011  -3.402  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.169  -1.100  -2.696  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.865  -0.991  -1.352  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.304   1.022   0.924  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.388   2.466   0.423  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.010   3.122   0.537  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.251   0.268   0.107  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.905   0.987   0.230  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.039   2.364  -0.263  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.736   3.042  -0.289  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.831   2.366  -1.322  1.00  0.00           C  
HETATM   29  C   UNL     1       0.521   3.075  -1.519  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.018   1.187  -0.756  1.00  0.00           C  
HETATM   31  N   UNL     1       1.116   1.721  -1.542  1.00  0.00           N  
HETATM   32  C   UNL     1       2.300   1.681  -0.803  1.00  0.00           C  
HETATM   33  C   UNL     1       2.633   0.541  -0.082  1.00  0.00           C  
HETATM   34  C   UNL     1       3.805   0.505   0.648  1.00  0.00           C  
HETATM   35  C   UNL     1       3.151   2.779  -0.791  1.00  0.00           C  
HETATM   36  C   UNL     1       4.321   2.737  -0.059  1.00  0.00           C  
HETATM   37  C   UNL     1       4.647   1.602   0.662  1.00  0.00           C  
HETATM   38  S   UNL     1       6.141   1.552   1.595  1.00  0.00           S  
HETATM   39  O   UNL     1       6.410   2.914   1.899  1.00  0.00           O  
HETATM   40  O   UNL     1       5.879   0.609   2.625  1.00  0.00           O  
HETATM   41  C   UNL     1       7.377   0.903   0.436  1.00  0.00           C  
HETATM   42  C   UNL     1       7.303  -0.622   0.242  1.00  0.00           C  
HETATM   43  N   UNL     1       8.778  -0.599   0.298  1.00  0.00           N  
HETATM   44  C   UNL     1       8.755   0.655   1.075  1.00  0.00           C  
HETATM   45  C   UNL     1       9.754  -1.402  -0.172  1.00  0.00           C  
HETATM   46  O   UNL     1       9.468  -2.400  -0.799  1.00  0.00           O  
HETATM   47  C   UNL     1      11.199  -1.058   0.081  1.00  0.00           C  
HETATM   48  C   UNL     1      12.095  -2.123  -0.554  1.00  0.00           C  
HETATM   49  C   UNL     1      13.562  -1.775  -0.297  1.00  0.00           C  
HETATM   50  N   UNL     1      14.423  -2.797  -0.907  1.00  0.00           N  
HETATM   51  C   UNL     1      14.310  -2.775  -2.371  1.00  0.00           C  
HETATM   52  C   UNL     1      15.820  -2.631  -0.484  1.00  0.00           C  
HETATM   53  H   UNL     1     -10.205  -5.973  -1.718  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.090  -5.185  -0.391  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.739  -4.283  -1.885  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.164  -3.434   0.520  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.735  -0.998   0.915  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.988  -1.125   3.235  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.948  -2.888   2.928  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.150  -1.815   4.629  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.593  -3.032   3.435  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.425   0.029   3.261  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.128  -1.172   2.966  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.918  -1.685   0.831  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.505   2.292  -0.913  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.828  -0.074  -4.452  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.075  -2.053  -3.195  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.536  -1.860  -0.801  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.021   1.016   1.977  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.709   2.472  -0.618  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.105   3.020   1.029  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.063   4.146   0.167  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.695   3.128   1.580  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.155  -0.750   0.487  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.554   0.239  -0.939  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.596   1.003   1.275  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.157   0.460  -0.363  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.876   4.088  -0.559  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.273   2.979   0.696  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.346   2.138  -2.254  1.00  0.00           H  
HETATM   81  H   UNL     1       0.604   3.608  -2.466  1.00  0.00           H  
HETATM   82  H   UNL     1       0.831   3.676  -0.663  1.00  0.00           H  
HETATM   83  H   UNL     1       0.134   1.236   0.322  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.366   0.212  -1.094  1.00  0.00           H  
HETATM   85  H   UNL     1       1.976  -0.316  -0.092  1.00  0.00           H  
HETATM   86  H   UNL     1       4.064  -0.381   1.209  1.00  0.00           H  
HETATM   87  H   UNL     1       2.897   3.665  -1.354  1.00  0.00           H  
HETATM   88  H   UNL     1       4.983   3.590  -0.049  1.00  0.00           H  
HETATM   89  H   UNL     1       7.420   1.464  -0.498  1.00  0.00           H  
HETATM   90  H   UNL     1       6.840  -1.150   1.076  1.00  0.00           H  
HETATM   91  H   UNL     1       6.905  -0.923  -0.727  1.00  0.00           H  
HETATM   92  H   UNL     1       9.516   1.374   0.771  1.00  0.00           H  
HETATM   93  H   UNL     1       8.719   0.503   2.153  1.00  0.00           H  
HETATM   94  H   UNL     1      11.424  -0.086  -0.357  1.00  0.00           H  
HETATM   95  H   UNL     1      11.381  -1.024   1.155  1.00  0.00           H  
HETATM   96  H   UNL     1      11.870  -3.096  -0.116  1.00  0.00           H  
HETATM   97  H   UNL     1      11.913  -2.158  -1.628  1.00  0.00           H  
HETATM   98  H   UNL     1      13.787  -0.802  -0.735  1.00  0.00           H  
HETATM   99  H   UNL     1      13.745  -1.740   0.777  1.00  0.00           H  
HETATM  100  H   UNL     1      14.612  -1.796  -2.744  1.00  0.00           H  
HETATM  101  H   UNL     1      14.957  -3.542  -2.797  1.00  0.00           H  
HETATM  102  H   UNL     1      13.277  -2.971  -2.659  1.00  0.00           H  
HETATM  103  H   UNL     1      15.884  -2.721   0.601  1.00  0.00           H  
HETATM  104  H   UNL     1      16.435  -3.400  -0.950  1.00  0.00           H  
HETATM  105  H   UNL     1      16.177  -1.647  -0.788  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    5    3                                       
CONECT    3    2    4                                                 
CONECT    4    3   53   54   55                                       
CONECT    5    6    2   56                                            
CONECT    6   10    7    5   57                                       
CONECT    7    8    6   58   59                                       
CONECT    8    9    7   60   61                                       
CONECT    9    8   10   62   63                                       
CONECT   10    9   11    6   64                                       
CONECT   11   14   12   10   21                                       
CONECT   12   13   13   13   11                                       
CONECT   13   12   12   12                                            
CONECT   14   20   20   15   11                                       
CONECT   15   16   16   14   65                                       
CONECT   16   18   17   15   15                                       
CONECT   17   16                                                      
CONECT   18   19   19   16   66                                       
CONECT   19   18   18   20   67                                       
CONECT   20   19   14   14   68                                       
CONECT   21   11   22   24   69                                       
CONECT   22   21   23   70   71                                       
CONECT   23   22   26   72   73                                       
CONECT   24   21   25   74   75                                       
CONECT   25   24   26   76   77                                       
CONECT   26   23   25   27                                            
CONECT   27   26   28   78   79                                       
CONECT   28   27   30   29   80                                       
CONECT   29   28   31   81   82                                       
CONECT   30   28   31   83   84                                       
CONECT   31   30   29   32                                            
CONECT   32   33   33   31   35                                       
CONECT   33   32   32   34   85                                       
CONECT   34   33   37   37   86                                       
CONECT   35   32   36   36   87                                       
CONECT   36   37   35   35   88                                       
CONECT   37   34   34   36   38                                       
CONECT   38   37   40   40   39                                       
CONECT   38   39   41                                                 
CONECT   39   38   38                                                 
CONECT   40   38   38                                                 
CONECT   41   38   44   42   89                                       
CONECT   42   41   43   90   91                                       
CONECT   43   44   42   45                                            
CONECT   44   41   43   92   93                                       
CONECT   45   43   47   46   46                                       
CONECT   46   45   45                                                 
CONECT   47   45   48   94   95                                       
CONECT   48   47   49   96   97                                       
CONECT   49   48   50   98   99                                       
CONECT   50   49   52   51                                            
CONECT   51   50  100  101  102                                       
CONECT   52   50  103  104  105                                       
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   15                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   51                                                      
CONECT  103   52                                                      
CONECT  104   52                                                      
CONECT  105   52                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
