COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.516   1.754  -0.237  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.721   3.289   1.783  1.00  0.00           C  
HETATM    3  C   UNL     1       4.149  -3.382  -0.040  1.00  0.00           C  
HETATM    4  C   UNL     1       5.239  -3.690  -0.825  1.00  0.00           C  
HETATM    5  C   UNL     1       4.255  -2.649  -2.618  1.00  0.00           C  
HETATM    6  C   UNL     1       5.016  -4.916   1.705  1.00  0.00           C  
HETATM    7  C   UNL     1       6.415  -4.448  -0.273  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.922   0.047  -2.013  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.307  -1.329  -2.290  1.00  0.00           C  
HETATM   10  C   UNL     1       1.003  -1.383  -1.490  1.00  0.00           C  
HETATM   11  C   UNL     1       1.167   0.007  -0.862  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.336  -0.112  -1.518  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.687   0.301  -1.623  1.00  0.00           C  
HETATM   14  C   UNL     1       0.380   2.320   0.832  1.00  0.00           C  
HETATM   15  C   UNL     1       2.788   2.646   1.013  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.262   3.576   1.427  1.00  0.00           C  
HETATM   17  C   UNL     1       3.151  -2.341  -1.830  1.00  0.00           C  
HETATM   18  C   UNL     1       4.085  -3.783   1.408  1.00  0.00           C  
HETATM   19  C   UNL     1       6.046  -5.212   0.959  1.00  0.00           C  
HETATM   20  C   UNL     1       5.685  -6.747   3.061  1.00  0.00           C  
HETATM   21  C   UNL     1       4.290  -2.231  -4.066  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.784  -0.654  -0.467  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.574  -2.945   0.948  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.113  -3.829   2.074  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.993  -2.318   2.279  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.482  -2.710  -0.261  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.451   1.624  -1.532  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.240   1.878  -0.275  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.761   2.697   0.633  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.433   3.368   0.401  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.046   4.193   1.630  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.931   0.525  -2.481  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.559   4.548   1.556  1.00  0.00           C  
HETATM   34  C   UNL     1       4.105   3.103   0.441  1.00  0.00           C  
HETATM   35  C   UNL     1       3.381   5.393   0.026  1.00  0.00           C  
HETATM   36  C   UNL     1       4.779   1.946  -0.325  1.00  0.00           C  
HETATM   37  C   UNL     1       6.288   2.118  -0.021  1.00  0.00           C  
HETATM   38  C   UNL     1       6.290   2.565   1.462  1.00  0.00           C  
HETATM   39  C   UNL     1       5.064   3.497   1.578  1.00  0.00           C  
HETATM   40  C   UNL     1       2.538   7.611  -0.227  1.00  0.00           C  
HETATM   41  N   UNL     1      -0.120   0.696  -0.972  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.367   0.353  -2.293  1.00  0.00           N  
HETATM   43  N   UNL     1       1.678   2.665   0.248  1.00  0.00           N  
HETATM   44  N   UNL     1       3.129  -2.711  -0.560  1.00  0.00           N  
HETATM   45  N   UNL     1       5.265  -3.315  -2.098  1.00  0.00           N  
HETATM   46  N   UNL     1      -4.575  -1.971  -0.660  1.00  0.00           N  
HETATM   47  N   UNL     1       3.894   4.243  -0.455  1.00  0.00           N  
HETATM   48  O   UNL     1      -2.559  -0.643  -0.451  1.00  0.00           O  
HETATM   49  O   UNL     1      -1.605   2.250  -0.435  1.00  0.00           O  
HETATM   50  O   UNL     1       2.726   2.261   2.161  1.00  0.00           O  
HETATM   51  O   UNL     1       2.101  -1.664  -2.360  1.00  0.00           O  
HETATM   52  O   UNL     1       4.778  -5.673   2.805  1.00  0.00           O  
HETATM   53  O   UNL     1      -5.049  -0.238   0.642  1.00  0.00           O  
HETATM   54  O   UNL     1      -4.043  -2.488   1.657  1.00  0.00           O  
HETATM   55  O   UNL     1      -4.468  -4.302   0.030  1.00  0.00           O  
HETATM   56  O   UNL     1       3.185   5.518   1.218  1.00  0.00           O  
HETATM   57  O   UNL     1       3.087   6.402  -0.815  1.00  0.00           O  
HETATM   58  S   UNL     1      -4.799  -3.037   0.587  1.00  0.00           S  
HETATM   59  H   UNL     1      -2.098   2.483   1.153  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.788   2.992   2.830  1.00  0.00           H  
HETATM   61  H   UNL     1       6.776  -5.145  -1.030  1.00  0.00           H  
HETATM   62  H   UNL     1       7.211  -3.744  -0.031  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.911   0.651  -2.919  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.983  -2.116  -1.956  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.101  -1.440  -3.355  1.00  0.00           H  
HETATM   66  H   UNL     1       0.937  -2.143  -0.711  1.00  0.00           H  
HETATM   67  H   UNL     1       1.446  -0.091   0.188  1.00  0.00           H  
HETATM   68  H   UNL     1       1.934   0.567  -1.397  1.00  0.00           H  
HETATM   69  H   UNL     1       0.521   1.578   1.618  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.219   4.385   0.697  1.00  0.00           H  
HETATM   71  H   UNL     1       0.281   3.869   2.326  1.00  0.00           H  
HETATM   72  H   UNL     1       4.355  -2.928   2.027  1.00  0.00           H  
HETATM   73  H   UNL     1       3.066  -4.087   1.648  1.00  0.00           H  
HETATM   74  H   UNL     1       6.665  -6.048   1.249  1.00  0.00           H  
HETATM   75  H   UNL     1       6.692  -6.350   3.192  1.00  0.00           H  
HETATM   76  H   UNL     1       5.381  -7.271   3.968  1.00  0.00           H  
HETATM   77  H   UNL     1       5.675  -7.441   2.220  1.00  0.00           H  
HETATM   78  H   UNL     1       4.737  -1.241  -4.148  1.00  0.00           H  
HETATM   79  H   UNL     1       4.883  -2.947  -4.636  1.00  0.00           H  
HETATM   80  H   UNL     1       3.274  -2.205  -4.462  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.114  -4.243   1.954  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.400  -4.466   2.598  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.202  -1.960   2.938  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.916  -1.737   2.293  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.405  -2.230   0.065  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.972  -2.066  -0.979  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.716  -3.665  -0.731  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.984   2.503  -1.978  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.190   1.392  -0.120  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.316   2.885   1.539  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.671   2.610   0.220  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.504   4.023  -0.467  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.638   5.108   1.654  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.237   3.612   2.532  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.783   0.684  -3.550  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.836  -0.017  -2.207  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.323   5.285   2.323  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.333   4.962   0.573  1.00  0.00           H  
HETATM   99  H   UNL     1       4.422   0.985   0.045  1.00  0.00           H  
HETATM  100  H   UNL     1       4.590   2.036  -1.395  1.00  0.00           H  
HETATM  101  H   UNL     1       6.816   1.171  -0.139  1.00  0.00           H  
HETATM  102  H   UNL     1       6.726   2.885  -0.660  1.00  0.00           H  
HETATM  103  H   UNL     1       6.177   1.704   2.120  1.00  0.00           H  
HETATM  104  H   UNL     1       7.206   3.108   1.696  1.00  0.00           H  
HETATM  105  H   UNL     1       5.373   4.536   1.462  1.00  0.00           H  
HETATM  106  H   UNL     1       4.579   3.357   2.543  1.00  0.00           H  
HETATM  107  H   UNL     1       1.605   7.375   0.285  1.00  0.00           H  
HETATM  108  H   UNL     1       3.250   8.024   0.487  1.00  0.00           H  
HETATM  109  H   UNL     1       2.346   8.342  -1.013  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.244   0.686  -3.195  1.00  0.00           H  
HETATM  111  H   UNL     1       1.739   2.908  -0.689  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.294  -2.295  -1.531  1.00  0.00           H  
HETATM  113  H   UNL     1       4.123   4.170  -1.395  1.00  0.00           H  
CONECT    1   49   49   14   41                                       
CONECT    2   16   33   59   60                                       
CONECT    3    4    4   44   18                                       
CONECT    4   45    7    3    3                                       
CONECT    5   21   45   45   17                                       
CONECT    6   19   19   18   52                                       
CONECT    7    4   19   61   62                                       
CONECT    8   12   41    9   63                                       
CONECT    9    8   10   64   65                                       
CONECT   10   51    9   11   66                                       
CONECT   11   41   10   67   68                                       
CONECT   12   42    8   48   48                                       
CONECT   13   32   27   42   22                                       
CONECT   14   43    1   16   69                                       
CONECT   15   34   43   50   50                                       
CONECT   16   14    2   70   71                                       
CONECT   17    5   51   44   44                                       
CONECT   18    3    6   72   73                                       
CONECT   19    7    6    6   74                                       
CONECT   20   52   75   76   77                                       
CONECT   21    5   78   79   80                                       
CONECT   22   13   53   53   46                                       
CONECT   23   58   25   24   26                                       
CONECT   24   25   23   81   82                                       
CONECT   25   23   24   83   84                                       
CONECT   26   23   85   86   87                                       
CONECT   27   32   13   28   88                                       
CONECT   28   27   29   29   89                                       
CONECT   29   28   28   30   90                                       
CONECT   30   29   31   91   92                                       
CONECT   31   30   33   93   94                                       
CONECT   32   27   13   95   96                                       
CONECT   33   31    2   97   98                                       
CONECT   34   36   39   47   15                                       
CONECT   35   47   56   56   57                                       
CONECT   36   37   34   99  100                                       
CONECT   37   38   36  101  102                                       
CONECT   38   37   39  103  104                                       
CONECT   39   38   34  105  106                                       
CONECT   40   57  107  108  109                                       
CONECT   41    1    8   11                                            
CONECT   42   13   12  110                                            
CONECT   43   15   14  111                                            
CONECT   44   17   17    3                                            
CONECT   45    5    5    4                                            
CONECT   46   22   58  112                                            
CONECT   47   34   35  113                                            
CONECT   48   12   12                                                 
CONECT   49    1    1                                                 
CONECT   50   15   15                                                 
CONECT   51   17   10                                                 
CONECT   52    6   20                                                 
CONECT   53   22   22                                                 
CONECT   54   58   58                                                 
CONECT   55   58   58                                                 
CONECT   56   35   35                                                 
CONECT   57   35   40                                                 
CONECT   58   55   55   46   54                                       
CONECT   58   54   23                                                 
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   14                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   36                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   37                                                      
CONECT  103   38                                                      
CONECT  104   38                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   42                                                      
CONECT  111   43                                                      
CONECT  112   46                                                      
CONECT  113   47                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
