COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.637  -1.982   0.156  1.00  0.00           C  
HETATM    2  C   UNL     1       4.199  -0.037  -0.124  1.00  0.00           C  
HETATM    3  C   UNL     1       0.698   0.794  -2.618  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.663   1.320  -2.996  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.869   0.944  -3.854  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.165   2.285  -3.680  1.00  0.00           C  
HETATM    7  C   UNL     1       9.297   3.974  -0.672  1.00  0.00           C  
HETATM    8  C   UNL     1       8.943   2.971   0.427  1.00  0.00           C  
HETATM    9  C   UNL     1       7.817   2.055  -0.060  1.00  0.00           C  
HETATM   10  C   UNL     1       8.736   0.252   1.266  1.00  0.00           C  
HETATM   11  C   UNL     1       9.852   1.186   1.740  1.00  0.00           C  
HETATM   12  C   UNL     1      11.130   0.377   1.973  1.00  0.00           C  
HETATM   13  C   UNL     1       6.477   0.224   0.586  1.00  0.00           C  
HETATM   14  C   UNL     1       6.661  -1.158   0.529  1.00  0.00           C  
HETATM   15  C   UNL     1       4.397  -1.436  -0.178  1.00  0.00           C  
HETATM   16  C   UNL     1       5.252   0.788   0.265  1.00  0.00           C  
HETATM   17  C   UNL     1       2.002  -0.301  -0.816  1.00  0.00           C  
HETATM   18  C   UNL     1       0.681   0.338  -1.158  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.617   0.463  -3.511  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.208   3.144  -3.170  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.958   2.659  -2.823  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.798   1.917  -0.036  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.028   3.107   0.859  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.463   4.165   0.555  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.617   4.913  -0.060  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.534   3.316   1.672  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.522   2.774   2.677  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.817   1.274   2.691  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.737   1.844   3.613  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.292   1.909   3.097  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.297   2.836   1.906  1.00  0.00           C  
HETATM   32  C   UNL     1       0.996  -2.412  -1.295  1.00  0.00           C  
HETATM   33  C   UNL     1       0.795  -2.695  -2.633  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.301  -3.445  -3.039  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.200  -3.917  -2.125  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.019  -3.645  -0.763  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.763  -3.994   0.448  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.170  -3.414   2.570  1.00  0.00           C  
HETATM   39  C   UNL     1       0.962  -2.082   1.879  1.00  0.00           C  
HETATM   40  C   UNL     1       0.091  -2.891  -0.343  1.00  0.00           C  
HETATM   41  C   UNL     1       3.267  -2.277  -0.591  1.00  0.00           C  
HETATM   42  F   UNL     1      -3.803   0.104  -4.352  1.00  0.00           F  
HETATM   43  F   UNL     1      -2.496   4.453  -3.000  1.00  0.00           F  
HETATM   44  F   UNL     1      -6.591   4.002  -0.482  1.00  0.00           F  
HETATM   45  F   UNL     1      -6.169   5.781   0.888  1.00  0.00           F  
HETATM   46  F   UNL     1      -2.450   2.413   4.093  1.00  0.00           F  
HETATM   47  F   UNL     1      -2.866   0.634   2.709  1.00  0.00           F  
HETATM   48  N   UNL     1       7.534   1.045   0.969  1.00  0.00           N  
HETATM   49  N   UNL     1       2.981   0.469  -0.447  1.00  0.00           N  
HETATM   50  N   UNL     1       0.457   1.495  -0.288  1.00  0.00           N  
HETATM   51  N   UNL     1      -2.466   3.362   0.974  1.00  0.00           N  
HETATM   52  N   UNL     1      -3.224   4.191   0.140  1.00  0.00           N  
HETATM   53  N   UNL     1       2.105  -1.655  -0.895  1.00  0.00           N  
HETATM   54  N   UNL     1      -2.941  -4.742   0.506  1.00  0.00           N  
HETATM   55  N   UNL     1      -1.125  -3.479   1.466  1.00  0.00           N  
HETATM   56  N   UNL     1       0.006  -2.787   1.021  1.00  0.00           N  
HETATM   57  O   UNL     1      10.092   2.180   0.740  1.00  0.00           O  
HETATM   58  O   UNL     1      -1.742   1.338  -0.530  1.00  0.00           O  
HETATM   59  O   UNL     1      -2.607  -5.567   2.771  1.00  0.00           O  
HETATM   60  O   UNL     1      -4.793  -5.838   1.644  1.00  0.00           O  
HETATM   61  O   UNL     1       3.372  -3.488  -0.658  1.00  0.00           O  
HETATM   62  S   UNL     1      -3.658  -5.047   1.968  1.00  0.00           S  
HETATM   63 CL   UNL     1      -2.564  -4.853  -2.651  1.00  0.00          Cl  
HETATM   64  H   UNL     1       5.788  -3.050   0.115  1.00  0.00           H  
HETATM   65  H   UNL     1       0.952  -0.050  -3.260  1.00  0.00           H  
HETATM   66  H   UNL     1       1.440   1.582  -2.744  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.142   2.661  -3.947  1.00  0.00           H  
HETATM   68  H   UNL     1       8.419   4.575  -0.913  1.00  0.00           H  
HETATM   69  H   UNL     1      10.099   4.626  -0.325  1.00  0.00           H  
HETATM   70  H   UNL     1       9.625   3.438  -1.562  1.00  0.00           H  
HETATM   71  H   UNL     1       8.616   3.507   1.318  1.00  0.00           H  
HETATM   72  H   UNL     1       6.920   2.647  -0.246  1.00  0.00           H  
HETATM   73  H   UNL     1       8.123   1.561  -0.982  1.00  0.00           H  
HETATM   74  H   UNL     1       9.057  -0.272   0.366  1.00  0.00           H  
HETATM   75  H   UNL     1       8.510  -0.472   2.048  1.00  0.00           H  
HETATM   76  H   UNL     1       9.552   1.670   2.669  1.00  0.00           H  
HETATM   77  H   UNL     1      11.430  -0.105   1.042  1.00  0.00           H  
HETATM   78  H   UNL     1      11.925   1.042   2.310  1.00  0.00           H  
HETATM   79  H   UNL     1      10.945  -0.383   2.732  1.00  0.00           H  
HETATM   80  H   UNL     1       7.622  -1.581   0.782  1.00  0.00           H  
HETATM   81  H   UNL     1       5.117   1.858   0.311  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.121  -0.386  -1.013  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.385  -0.584  -3.646  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.213   3.328  -2.416  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.615   2.903   1.847  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.536   3.982   0.434  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.262   5.488  -0.916  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.262   3.470   3.071  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.751   0.950   3.151  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.488   0.688   1.833  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.898   1.847   4.691  1.00  0.00           H  
HETATM   92  H   UNL     1       1.495  -2.329  -3.369  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.445  -3.657  -4.088  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.295  -2.773   2.671  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.867  -2.967   1.860  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.657  -3.520   3.539  1.00  0.00           H  
HETATM   97  H   UNL     1       1.757  -2.766   2.176  1.00  0.00           H  
HETATM   98  H   UNL     1       1.390  -1.242   1.332  1.00  0.00           H  
HETATM   99  H   UNL     1       0.449  -1.713   2.768  1.00  0.00           H  
HETATM  100  H   UNL     1       1.213   1.958   0.107  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.340  -5.083  -0.310  1.00  0.00           H  
CONECT    1   15   15   14   64                                       
CONECT    2   49   16   16   15                                       
CONECT    3    4   18   65   66                                       
CONECT    4   19   19   21    3                                       
CONECT    5   42    6    6   19                                       
CONECT    6    5    5   20   67                                       
CONECT    7    8   68   69   70                                       
CONECT    8   57    9    7   71                                       
CONECT    9   48    8   72   73                                       
CONECT   10   11   48   74   75                                       
CONECT   11   12   10   57   76                                       
CONECT   12   11   77   78   79                                       
CONECT   13   16   48   14   14                                       
CONECT   14   13   13    1   80                                       
CONECT   15    2   41    1    1                                       
CONECT   16    2    2   13   81                                       
CONECT   17   18   49   49   53                                       
CONECT   18   50    3   17   82                                       
CONECT   19    5    4    4   83                                       
CONECT   20    6   43   21   21                                       
CONECT   21   20   20    4   84                                       
CONECT   22   23   58   58   50                                       
CONECT   23   51   22   85   86                                       
CONECT   24   25   26   52   52                                       
CONECT   25   45   44   24   87                                       
CONECT   26   27   24   31   31                                       
CONECT   27   28   29   26   88                                       
CONECT   28   27   29   89   90                                       
CONECT   29   28   27   30   91                                       
CONECT   30   29   47   31   46                                       
CONECT   31   26   26   30   51                                       
CONECT   32   40   53   33   33                                       
CONECT   33   32   32   34   92                                       
CONECT   34   35   35   33   93                                       
CONECT   35   36   63   34   34                                       
CONECT   36   37   40   40   35                                       
CONECT   37   54   55   55   36                                       
CONECT   38   62   94   95   96                                       
CONECT   39   56   97   98   99                                       
CONECT   40   56   36   36   32                                       
CONECT   41   53   15   61   61                                       
CONECT   42    5                                                      
CONECT   43   20                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   30                                                      
CONECT   47   30                                                      
CONECT   48   10   13    9                                            
CONECT   49   17   17    2                                            
CONECT   50   22   18  100                                            
CONECT   51   31   52   23                                            
CONECT   52   24   24   51                                            
CONECT   53   17   32   41                                            
CONECT   54   62   37  101                                            
CONECT   55   37   37   56                                            
CONECT   56   55   39   40                                            
CONECT   57   11    8                                                 
CONECT   58   22   22                                                 
CONECT   59   62   62                                                 
CONECT   60   62   62                                                 
CONECT   61   41   41                                                 
CONECT   62   60   60   59   59                                       
CONECT   62   54   38                                                 
CONECT   63   35                                                      
CONECT   64    1                                                      
CONECT   65    3                                                      
CONECT   66    3                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    8                                                      
CONECT   72    9                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   12                                                      
CONECT   80   14                                                      
CONECT   81   16                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   21                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   25                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   50                                                      
CONECT  101   54                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
