COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.761  -1.883   1.323  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.613  -1.547   1.107  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.602  -2.129   1.782  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.887  -3.165   2.777  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.682  -4.057   2.932  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.847  -5.422   3.076  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.742  -6.240   3.218  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.472  -5.694   3.217  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.308  -4.329   3.073  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.412  -3.511   2.926  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.211  -2.507   4.120  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.325  -0.505   0.097  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.371   0.093  -0.607  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.102   1.071  -1.554  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.151   1.669  -2.257  1.00  0.00           N  
HETATM   16  S   UNL     1      -7.352   3.312  -2.205  1.00  0.00           S  
HETATM   17  O   UNL     1      -6.659   3.713  -1.032  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.501   3.919  -3.688  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.756   3.497  -2.326  1.00  0.00           O  
HETATM   20  C   UNL     1      -8.073   0.842  -3.039  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.793   1.457  -1.804  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.010  -0.116  -0.147  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.742   0.862  -1.103  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.347   1.274  -1.370  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.115   2.130  -2.200  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.334   0.699  -0.693  1.00  0.00           N  
HETATM   27  C   UNL     1       0.049   1.106  -0.958  1.00  0.00           C  
HETATM   28  C   UNL     1       0.385   2.342  -0.121  1.00  0.00           C  
HETATM   29  O   UNL     1       0.350   2.002   1.266  1.00  0.00           O  
HETATM   30  C   UNL     1       0.628   2.994   2.152  1.00  0.00           C  
HETATM   31  C   UNL     1       0.613   2.734   3.514  1.00  0.00           C  
HETATM   32  C   UNL     1       0.896   3.745   4.415  1.00  0.00           C  
HETATM   33  F   UNL     1       0.881   3.491   5.742  1.00  0.00           F  
HETATM   34  C   UNL     1       1.196   5.017   3.957  1.00  0.00           C  
HETATM   35  C   UNL     1       1.211   5.279   2.598  1.00  0.00           C  
HETATM   36  F   UNL     1       1.504   6.520   2.153  1.00  0.00           F  
HETATM   37  C   UNL     1       0.933   4.268   1.694  1.00  0.00           C  
HETATM   38  C   UNL     1       0.997  -0.035  -0.586  1.00  0.00           C  
HETATM   39  O   UNL     1       0.849  -0.344   0.801  1.00  0.00           O  
HETATM   40  C   UNL     1       0.661  -1.271  -1.423  1.00  0.00           C  
HETATM   41  C   UNL     1       1.663  -2.385  -1.114  1.00  0.00           C  
HETATM   42  O   UNL     1       1.253  -3.589  -1.764  1.00  0.00           O  
HETATM   43  C   UNL     1       0.340  -4.380  -1.001  1.00  0.00           C  
HETATM   44  C   UNL     1       0.066  -5.694  -1.735  1.00  0.00           C  
HETATM   45  O   UNL     1       1.269  -6.463  -1.801  1.00  0.00           O  
HETATM   46  C   UNL     1       1.122  -7.716  -2.470  1.00  0.00           C  
HETATM   47  C   UNL     1       3.028  -1.984  -1.612  1.00  0.00           C  
HETATM   48  O   UNL     1       3.494  -2.515  -2.598  1.00  0.00           O  
HETATM   49  N   UNL     1       3.731  -1.036  -0.962  1.00  0.00           N  
HETATM   50  C   UNL     1       5.008  -0.567  -1.508  1.00  0.00           C  
HETATM   51  C   UNL     1       4.748   0.537  -2.534  1.00  0.00           C  
HETATM   52  C   UNL     1       3.824   0.006  -3.632  1.00  0.00           C  
HETATM   53  C   UNL     1       4.086   1.731  -1.844  1.00  0.00           C  
HETATM   54  C   UNL     1       5.862  -0.024  -0.391  1.00  0.00           C  
HETATM   55  O   UNL     1       5.356   0.277   0.669  1.00  0.00           O  
HETATM   56  N   UNL     1       7.189   0.127  -0.571  1.00  0.00           N  
HETATM   57  C   UNL     1       8.003   0.753   0.474  1.00  0.00           C  
HETATM   58  C   UNL     1       9.442   0.801   0.028  1.00  0.00           C  
HETATM   59  C   UNL     1       9.913   1.895  -0.673  1.00  0.00           C  
HETATM   60  C   UNL     1      11.233   1.939  -1.081  1.00  0.00           C  
HETATM   61  C   UNL     1      10.293  -0.248   0.325  1.00  0.00           C  
HETATM   62  C   UNL     1      11.613  -0.204  -0.083  1.00  0.00           C  
HETATM   63  C   UNL     1      12.082   0.888  -0.789  1.00  0.00           C  
HETATM   64  H   UNL     1      -3.686  -1.861   1.609  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.739  -3.760   2.449  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.839  -5.850   3.076  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.870  -7.307   3.331  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.609  -6.333   3.329  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.316  -3.902   3.072  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.284  -2.445   2.810  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.082  -1.862   4.008  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.423  -3.279   4.861  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.358  -1.913   4.449  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.391  -0.205  -0.414  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.958   3.480  -4.575  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.584   5.004  -3.735  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.449   3.636  -3.644  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.910   0.536  -2.411  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.446   1.416  -3.887  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.549  -0.043  -3.402  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.586   2.218  -2.541  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.199  -0.575   0.399  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.519   0.015  -0.031  1.00  0.00           H  
HETATM   84  H   UNL     1       0.161   1.342  -2.016  1.00  0.00           H  
HETATM   85  H   UNL     1       1.381   2.698  -0.383  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.345   3.126  -0.321  1.00  0.00           H  
HETATM   87  H   UNL     1       0.379   1.742   3.872  1.00  0.00           H  
HETATM   88  H   UNL     1       1.417   5.805   4.661  1.00  0.00           H  
HETATM   89  H   UNL     1       0.950   4.471   0.634  1.00  0.00           H  
HETATM   90  H   UNL     1       2.025   0.268  -0.783  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.043  -0.623   1.049  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.346  -1.611  -1.180  1.00  0.00           H  
HETATM   93  H   UNL     1       0.714  -1.018  -2.482  1.00  0.00           H  
HETATM   94  H   UNL     1       1.703  -2.549  -0.037  1.00  0.00           H  
HETATM   95  H   UNL     1       0.773  -4.593  -0.024  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.595  -3.833  -0.873  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.697  -6.258  -1.199  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.283  -5.479  -2.745  1.00  0.00           H  
HETATM   99  H   UNL     1       0.381  -8.322  -1.949  1.00  0.00           H  
HETATM  100  H   UNL     1       0.794  -7.544  -3.496  1.00  0.00           H  
HETATM  101  H   UNL     1       2.078  -8.239  -2.478  1.00  0.00           H  
HETATM  102  H   UNL     1       3.393  -0.664  -0.132  1.00  0.00           H  
HETATM  103  H   UNL     1       5.524  -1.398  -1.989  1.00  0.00           H  
HETATM  104  H   UNL     1       5.694   0.852  -2.976  1.00  0.00           H  
HETATM  105  H   UNL     1       2.839  -0.196  -3.212  1.00  0.00           H  
HETATM  106  H   UNL     1       3.736   0.749  -4.424  1.00  0.00           H  
HETATM  107  H   UNL     1       4.239  -0.915  -4.042  1.00  0.00           H  
HETATM  108  H   UNL     1       4.744   2.109  -1.062  1.00  0.00           H  
HETATM  109  H   UNL     1       3.901   2.517  -2.575  1.00  0.00           H  
HETATM  110  H   UNL     1       3.140   1.416  -1.402  1.00  0.00           H  
HETATM  111  H   UNL     1       7.606  -0.180  -1.392  1.00  0.00           H  
HETATM  112  H   UNL     1       7.645   1.767   0.654  1.00  0.00           H  
HETATM  113  H   UNL     1       7.926   0.172   1.392  1.00  0.00           H  
HETATM  114  H   UNL     1       9.250   2.717  -0.901  1.00  0.00           H  
HETATM  115  H   UNL     1      11.601   2.794  -1.629  1.00  0.00           H  
HETATM  116  H   UNL     1       9.926  -1.101   0.877  1.00  0.00           H  
HETATM  117  H   UNL     1      12.277  -1.023   0.149  1.00  0.00           H  
HETATM  118  H   UNL     1      13.113   0.922  -1.108  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   64                                            
CONECT    4    3    5   11   65                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   66                                       
CONECT    7    6    8    8   67                                       
CONECT    8    7    7    9   68                                       
CONECT    9    8   10   10   69                                       
CONECT   10    5    9    9   70                                       
CONECT   11    4   71   72   73                                       
CONECT   12    2   13   13   22                                       
CONECT   13   12   12   14   74                                       
CONECT   14   13   15   21   21                                       
CONECT   15   14   16   20                                            
CONECT   16   15   17   17   18                                       
CONECT   16   19   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   75   76   77                                       
CONECT   19   16   16                                                 
CONECT   20   15   78   79   80                                       
CONECT   21   14   14   23   81                                       
CONECT   22   12   23   23   82                                       
CONECT   23   21   22   22   24                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   83                                            
CONECT   27   26   28   38   84                                       
CONECT   28   27   29   85   86                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   31   37                                       
CONECT   31   30   30   32   87                                       
CONECT   32   31   33   34   34                                       
CONECT   33   32                                                      
CONECT   34   32   32   35   88                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35                                                      
CONECT   37   30   35   35   89                                       
CONECT   38   27   39   40   90                                       
CONECT   39   38   91                                                 
CONECT   40   38   41   92   93                                       
CONECT   41   40   42   47   94                                       
CONECT   42   41   43                                                 
CONECT   43   42   44   95   96                                       
CONECT   44   43   45   97   98                                       
CONECT   45   44   46                                                 
CONECT   46   45   99  100  101                                       
CONECT   47   41   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   50  102                                            
CONECT   50   49   51   54  103                                       
CONECT   51   50   52   53  104                                       
CONECT   52   51  105  106  107                                       
CONECT   53   51  108  109  110                                       
CONECT   54   50   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   54   57  111                                            
CONECT   57   56   58  112  113                                       
CONECT   58   57   59   59   61                                       
CONECT   59   58   58   60  114                                       
CONECT   60   59   63   63  115                                       
CONECT   61   58   62   62  116                                       
CONECT   62   61   61   63  117                                       
CONECT   63   60   60   62  118                                       
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   11                                                      
CONECT   74   13                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   31                                                      
CONECT   88   34                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   52                                                      
CONECT  106   52                                                      
CONECT  107   52                                                      
CONECT  108   53                                                      
CONECT  109   53                                                      
CONECT  110   53                                                      
CONECT  111   56                                                      
CONECT  112   57                                                      
CONECT  113   57                                                      
CONECT  114   59                                                      
CONECT  115   60                                                      
CONECT  116   61                                                      
CONECT  117   62                                                      
CONECT  118   63                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
