COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.054   0.098  -1.411  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.240   1.737  -0.555  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.971   3.099  -0.707  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.708   3.496  -1.100  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.084   1.168  -1.159  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.371   2.886  -1.749  1.00  0.00           C  
HETATM    7  C   UNL     1       0.535   3.409  -0.811  1.00  0.00           C  
HETATM    8  C   UNL     1       1.831   3.760  -1.224  1.00  0.00           C  
HETATM    9  C   UNL     1       2.208   3.588  -2.562  1.00  0.00           C  
HETATM   10  C   UNL     1       1.307   3.074  -3.468  1.00  0.00           C  
HETATM   11  C   UNL     1       0.027   2.719  -3.068  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.742   2.510  -1.331  1.00  0.00           C  
HETATM   13  C   UNL     1       2.519   4.265  -0.034  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.725   3.469   1.368  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.288  -0.519  -2.792  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.224  -1.549  -3.068  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.426  -2.866  -2.701  1.00  0.00           C  
HETATM   18  C   UNL     1       0.552  -3.814  -2.954  1.00  0.00           C  
HETATM   19  C   UNL     1       1.731  -3.442  -3.577  1.00  0.00           C  
HETATM   20  C   UNL     1       1.932  -2.123  -3.945  1.00  0.00           C  
HETATM   21  C   UNL     1       0.951  -1.178  -3.694  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.104  -1.709  -0.081  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.223  -2.779   0.974  1.00  0.00           C  
HETATM   24  C   UNL     1       3.069  -3.998   1.796  1.00  0.00           C  
HETATM   25  C   UNL     1       2.063  -3.119   1.964  1.00  0.00           C  
HETATM   26  C   UNL     1       2.675  -4.921   0.812  1.00  0.00           C  
HETATM   27  C   UNL     1       4.224  -3.679   2.713  1.00  0.00           C  
HETATM   28  C   UNL     1       3.827  -2.427   3.507  1.00  0.00           C  
HETATM   29  C   UNL     1       2.414  -2.089   3.010  1.00  0.00           C  
HETATM   30  C   UNL     1       4.986  -2.368   2.509  1.00  0.00           C  
HETATM   31  C   UNL     1       3.496  -6.080   0.309  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.546   1.316  -0.147  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.618   0.970   0.186  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.961   0.537   0.605  1.00  0.00           C  
HETATM   35  C   UNL     1       4.492   3.799   2.520  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.288   1.139   1.973  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.992   1.011  -0.421  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.716  -1.576   1.235  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.591   2.134   2.104  1.00  0.00           C  
HETATM   40  F   UNL     1       3.082  -1.758  -4.552  1.00  0.00           F  
HETATM   41  F   UNL     1       0.355  -5.101  -2.594  1.00  0.00           F  
HETATM   42  F   UNL     1       1.505  -2.152   4.071  1.00  0.00           F  
HETATM   43  F   UNL     1       2.399  -0.810   2.443  1.00  0.00           F  
HETATM   44  F   UNL     1       3.166  -6.341  -1.025  1.00  0.00           F  
HETATM   45  F   UNL     1       4.856  -5.762   0.398  1.00  0.00           F  
HETATM   46  F   UNL     1       0.556   2.157   2.905  1.00  0.00           F  
HETATM   47  F   UNL     1      -1.717   1.929   2.908  1.00  0.00           F  
HETATM   48  F   UNL     1      -0.488   1.096   1.172  1.00  0.00           F  
HETATM   49  F   UNL     1       3.230  -7.212   1.086  1.00  0.00           F  
HETATM   50  N   UNL     1      -3.299   0.828  -0.788  1.00  0.00           N  
HETATM   51  N   UNL     1       0.455   3.684   0.527  1.00  0.00           N  
HETATM   52  N   UNL     1       1.678   4.202   0.964  1.00  0.00           N  
HETATM   53  N   UNL     1       3.835   4.730   0.023  1.00  0.00           N  
HETATM   54  N   UNL     1       1.063  -3.467   1.118  1.00  0.00           N  
HETATM   55  N   UNL     1       1.475  -4.600   0.408  1.00  0.00           N  
HETATM   56  N   UNL     1      -1.170  -0.942  -0.386  1.00  0.00           N  
HETATM   57  O   UNL     1       0.950  -1.538  -0.655  1.00  0.00           O  
HETATM   58  O   UNL     1       3.500   6.205   1.930  1.00  0.00           O  
HETATM   59  O   UNL     1       5.782   5.678   1.133  1.00  0.00           O  
HETATM   60  O   UNL     1      -7.826  -1.811  -0.588  1.00  0.00           O  
HETATM   61  O   UNL     1      -7.135  -1.685   1.760  1.00  0.00           O  
HETATM   62  S   UNL     1       4.461   5.269   1.459  1.00  0.00           S  
HETATM   63  S   UNL     1      -8.005  -1.273   0.715  1.00  0.00           S  
HETATM   64 CL   UNL     1       3.808   4.021  -3.077  1.00  0.00          Cl  
HETATM   65  H   UNL     1      -0.058   0.536  -1.373  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.741   3.833  -0.520  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.471   4.542  -1.226  1.00  0.00           H  
HETATM   68  H   UNL     1       1.601   2.942  -4.499  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.666   2.313  -3.790  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.618   3.452   0.744  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.805   4.278   2.095  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.269  -0.994  -2.816  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.244   0.262  -3.551  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.346  -3.157  -2.215  1.00  0.00           H  
HETATM   75  H   UNL     1       2.494  -4.180  -3.774  1.00  0.00           H  
HETATM   76  H   UNL     1       1.107  -0.148  -3.982  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.500  -2.323   1.924  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.988  -3.497   0.679  1.00  0.00           H  
HETATM   79  H   UNL     1       4.721  -4.517   3.202  1.00  0.00           H  
HETATM   80  H   UNL     1       4.016  -2.341   4.577  1.00  0.00           H  
HETATM   81  H   UNL     1       5.996  -2.305   2.914  1.00  0.00           H  
HETATM   82  H   UNL     1       4.819  -1.830   1.576  1.00  0.00           H  
HETATM   83  H   UNL     1       3.479   3.413   2.636  1.00  0.00           H  
HETATM   84  H   UNL     1       5.121   3.034   2.063  1.00  0.00           H  
HETATM   85  H   UNL     1       4.894   4.064   3.497  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.261   2.227   1.907  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.282   0.818   2.283  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.553   0.801   2.704  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.759   0.581  -1.395  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.987   0.690  -0.111  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.966   2.098  -0.487  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.400  -1.176   0.486  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.880  -2.648   1.340  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.898  -1.084   2.191  1.00  0.00           H  
HETATM   95  H   UNL     1       4.382   4.737  -0.778  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.013  -1.079   0.074  1.00  0.00           H  
CONECT    1   56   15    5   65                                       
CONECT    2   50   32    3    3                                       
CONECT    3    2    2    4   66                                       
CONECT    4   12   12    3   67                                       
CONECT    5    1   50   50   12                                       
CONECT    6    7   12   11   11                                       
CONECT    7   51    8    8    6                                       
CONECT    8   13    7    7    9                                       
CONECT    9    8   64   10   10                                       
CONECT   10    9    9   11   68                                       
CONECT   11    6    6   10   69                                       
CONECT   12    5    6    4    4                                       
CONECT   13   53   52   52    8                                       
CONECT   14   51   39   70   71                                       
CONECT   15   16    1   72   73                                       
CONECT   16   21   21   17   15                                       
CONECT   17   18   18   16   74                                       
CONECT   18   19   41   17   17                                       
CONECT   19   20   20   18   75                                       
CONECT   20   40   19   19   21                                       
CONECT   21   20   16   16   76                                       
CONECT   22   23   57   57   56                                       
CONECT   23   54   22   77   78                                       
CONECT   24   27   26   25   25                                       
CONECT   25   24   24   29   54                                       
CONECT   26   31   24   55   55                                       
CONECT   27   30   28   24   79                                       
CONECT   28   30   27   29   80                                       
CONECT   29   28   43   25   42                                       
CONECT   30   27   28   81   82                                       
CONECT   31   45   44   26   49                                       
CONECT   32   33   33   33    2                                       
CONECT   33   34   32   32   32                                       
CONECT   34   37   33   63   36                                       
CONECT   35   62   83   84   85                                       
CONECT   36   34   86   87   88                                       
CONECT   37   34   89   90   91                                       
CONECT   38   63   92   93   94                                       
CONECT   39   14   48   46   47                                       
CONECT   40   20                                                      
CONECT   41   18                                                      
CONECT   42   29                                                      
CONECT   43   29                                                      
CONECT   44   31                                                      
CONECT   45   31                                                      
CONECT   46   39                                                      
CONECT   47   39                                                      
CONECT   48   39                                                      
CONECT   49   31                                                      
CONECT   50    5    5    2                                            
CONECT   51   52   14    7                                            
CONECT   52   13   13   51                                            
CONECT   53   62   13   95                                            
CONECT   54   25   55   23                                            
CONECT   55   26   26   54                                            
CONECT   56   22    1   96                                            
CONECT   57   22   22                                                 
CONECT   58   62   62                                                 
CONECT   59   62   62                                                 
CONECT   60   63   63                                                 
CONECT   61   63   63                                                 
CONECT   62   58   58   59   59                                       
CONECT   62   53   35                                                 
CONECT   63   61   61   34   60                                       
CONECT   63   60   38                                                 
CONECT   64    9                                                      
CONECT   65    1                                                      
CONECT   66    3                                                      
CONECT   67    4                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   19                                                      
CONECT   76   21                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   53                                                      
CONECT   96   56                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
