COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.070   1.094   1.174  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.903   0.224   3.075  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.268  -1.191   1.163  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.067  -3.382   0.677  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.689  -4.812  -0.794  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.464  -6.016  -1.464  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.382  -7.036  -1.361  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.775  -5.707   0.076  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.020  -2.661  -0.245  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.277  -0.758  -1.650  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.614  -1.059  -1.728  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.794   1.970   0.251  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.575   3.308  -0.804  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.545   1.262   2.460  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.765  -1.001   2.437  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.859  -4.661  -0.017  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.532  -6.884  -0.597  1.00  0.00           C  
HETATM   18  C   UNL     1       0.004  -1.565  -0.380  1.00  0.00           C  
HETATM   19  C   UNL     1       0.670   0.412  -1.721  1.00  0.00           C  
HETATM   20  C   UNL     1       0.321   1.620  -1.147  1.00  0.00           C  
HETATM   21  C   UNL     1       1.191   2.695  -1.212  1.00  0.00           C  
HETATM   22  C   UNL     1       2.410   2.561  -1.852  1.00  0.00           C  
HETATM   23  C   UNL     1       2.759   1.351  -2.427  1.00  0.00           C  
HETATM   24  C   UNL     1       1.891   0.275  -2.356  1.00  0.00           C  
HETATM   25  C   UNL     1       2.420  -1.436  -0.089  1.00  0.00           C  
HETATM   26  C   UNL     1       3.797  -2.042  -0.174  1.00  0.00           C  
HETATM   27  C   UNL     1       6.297   0.605   0.241  1.00  0.00           C  
HETATM   28  C   UNL     1       7.185   1.709  -0.273  1.00  0.00           C  
HETATM   29  C   UNL     1       6.218   0.196   1.553  1.00  0.00           C  
HETATM   30  C   UNL     1       5.234  -0.900   1.602  1.00  0.00           C  
HETATM   31  C   UNL     1       5.155  -1.303   2.893  1.00  0.00           C  
HETATM   32  C   UNL     1       6.024  -0.542   3.691  1.00  0.00           C  
HETATM   33  C   UNL     1       6.682   0.369   2.930  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.929  -0.141   0.517  1.00  0.00           C  
HETATM   35  F   UNL     1       0.848   3.876  -0.651  1.00  0.00           F  
HETATM   36  F   UNL     1       3.949   1.218  -3.053  1.00  0.00           F  
HETATM   37  F   UNL     1       8.066   1.191  -1.229  1.00  0.00           F  
HETATM   38  F   UNL     1       6.397   2.707  -0.857  1.00  0.00           F  
HETATM   39  N   UNL     1      -3.527  -0.010  -0.709  1.00  0.00           N  
HETATM   40  N   UNL     1      -4.046   1.283  -0.832  1.00  0.00           N  
HETATM   41  N   UNL     1      -4.152   3.300   0.486  1.00  0.00           N  
HETATM   42  N   UNL     1      -2.118  -2.429   0.524  1.00  0.00           N  
HETATM   43  N   UNL     1      -0.811  -3.781  -0.869  1.00  0.00           N  
HETATM   44  N   UNL     1       1.343  -2.154  -0.463  1.00  0.00           N  
HETATM   45  N   UNL     1       4.789  -1.067   0.286  1.00  0.00           N  
HETATM   46  N   UNL     1       5.456  -0.128  -0.511  1.00  0.00           N  
HETATM   47  O   UNL     1      -4.211   3.964  -1.855  1.00  0.00           O  
HETATM   48  O   UNL     1      -5.139   5.445  -0.103  1.00  0.00           O  
HETATM   49  O   UNL     1      -4.056  -3.185   1.358  1.00  0.00           O  
HETATM   50  O   UNL     1       2.281  -0.301   0.315  1.00  0.00           O  
HETATM   51  S   UNL     1      -4.975   4.153  -0.671  1.00  0.00           S  
HETATM   52 CL   UNL     1      -2.707   2.787   3.273  1.00  0.00          Cl  
HETATM   53  H   UNL     1      -1.499   0.358   4.068  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.573  -6.147  -2.062  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.206  -7.967  -1.880  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.671  -5.594   0.669  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.135  -1.394  -2.523  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.304  -0.393  -1.628  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.528  -1.635  -1.579  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.629  -0.604  -2.718  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.751  -1.720  -1.644  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.082   3.336   0.160  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.188   3.808  -1.553  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.414   2.271  -1.100  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.255  -1.811   2.937  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.240  -7.696  -0.527  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.051  -0.908   0.488  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.631   1.724  -0.648  1.00  0.00           H  
HETATM   69  H   UNL     1       3.089   3.399  -1.904  1.00  0.00           H  
HETATM   70  H   UNL     1       2.165  -0.671  -2.800  1.00  0.00           H  
HETATM   71  H   UNL     1       3.842  -2.931   0.456  1.00  0.00           H  
HETATM   72  H   UNL     1       4.010  -2.318  -1.207  1.00  0.00           H  
HETATM   73  H   UNL     1       7.754   2.132   0.554  1.00  0.00           H  
HETATM   74  H   UNL     1       4.517  -2.095   3.256  1.00  0.00           H  
HETATM   75  H   UNL     1       6.151  -0.663   4.756  1.00  0.00           H  
HETATM   76  H   UNL     1       7.411   1.087   3.275  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.919   3.724   1.327  1.00  0.00           H  
HETATM   78  H   UNL     1       1.454  -3.062  -0.786  1.00  0.00           H  
HETATM   79  H   UNL     1       5.329  -0.021  -1.467  1.00  0.00           H  
CONECT    1   14   14   34   12                                       
CONECT    2   15   15   14   53                                       
CONECT    3   15   42   34   34                                       
CONECT    4   49   49   16   42                                       
CONECT    5   16   16    6   43                                       
CONECT    6    7    7    5   54                                       
CONECT    7   17    6    6   55                                       
CONECT    8   17   17   16   56                                       
CONECT    9   42   43   43   18                                       
CONECT   10   18   19   57   58                                       
CONECT   11   39   59   60   61                                       
CONECT   12    1   40   40   41                                       
CONECT   13   51   62   63   64                                       
CONECT   14    2   52    1    1                                       
CONECT   15    2    2    3   65                                       
CONECT   16    8    4    5    5                                       
CONECT   17    8    8    7   66                                       
CONECT   18    9   10   44   67                                       
CONECT   19   10   20   20   24                                       
CONECT   20   19   19   21   68                                       
CONECT   21   20   35   22   22                                       
CONECT   22   21   21   23   69                                       
CONECT   23   24   24   22   36                                       
CONECT   24   19   23   23   70                                       
CONECT   25   44   50   50   26                                       
CONECT   26   25   45   71   72                                       
CONECT   27   46   29   29   28                                       
CONECT   28   27   38   37   73                                       
CONECT   29   30   27   27   33                                       
CONECT   30   45   31   31   29                                       
CONECT   31   30   30   32   74                                       
CONECT   32   31   33   33   75                                       
CONECT   33   29   32   32   76                                       
CONECT   34    3    3    1   39                                       
CONECT   35   21                                                      
CONECT   36   23                                                      
CONECT   37   28                                                      
CONECT   38   28                                                      
CONECT   39   34   11   40                                            
CONECT   40   39   12   12                                            
CONECT   41   12   51   77                                            
CONECT   42    4    3    9                                            
CONECT   43    5    9    9                                            
CONECT   44   18   25   78                                            
CONECT   45   26   46   30                                            
CONECT   46   45   27   79                                            
CONECT   47   51   51                                                 
CONECT   48   51   51                                                 
CONECT   49    4    4                                                 
CONECT   50   25   25                                                 
CONECT   51   13   41   47   47                                       
CONECT   51   48   48                                                 
CONECT   52   14                                                      
CONECT   53    2                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   41                                                      
CONECT   78   44                                                      
CONECT   79   46                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
