COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.928  -0.647  -1.947  1.00  0.00           C  
HETATM    2  C   UNL     1       5.396  -1.846  -1.111  1.00  0.00           C  
HETATM    3  C   UNL     1       6.650  -1.457  -0.339  1.00  0.00           C  
HETATM    4  C   UNL     1       6.522  -0.096   0.289  1.00  0.00           C  
HETATM    5  C   UNL     1       7.521   0.308   1.168  1.00  0.00           C  
HETATM    6  C   UNL     1       7.466   1.545   1.777  1.00  0.00           C  
HETATM    7 CL   UNL     1       8.725   2.037   2.866  1.00  0.00          Cl  
HETATM    8  C   UNL     1       6.403   2.392   1.517  1.00  0.00           C  
HETATM    9  C   UNL     1       5.410   1.995   0.645  1.00  0.00           C  
HETATM   10  C   UNL     1       5.475   0.757   0.021  1.00  0.00           C  
HETATM   11  C   UNL     1       4.397   0.411  -0.975  1.00  0.00           C  
HETATM   12  C   UNL     1       3.178  -0.172  -0.247  1.00  0.00           C  
HETATM   13  C   UNL     1       4.005   1.673  -1.737  1.00  0.00           C  
HETATM   14  O   UNL     1       3.062   1.388  -2.768  1.00  0.00           O  
HETATM   15  C   UNL     1       1.748   1.387  -2.413  1.00  0.00           C  
HETATM   16  C   UNL     1       0.880   2.370  -2.836  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.442   2.337  -2.427  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.894   1.325  -1.603  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.030   0.325  -1.191  1.00  0.00           C  
HETATM   20  C   UNL     1       1.294   0.343  -1.592  1.00  0.00           C  
HETATM   21  N   UNL     1       2.211  -0.609  -1.221  1.00  0.00           N  
HETATM   22  C   UNL     1       2.093  -1.965  -1.623  1.00  0.00           C  
HETATM   23  C   UNL     1       1.599  -2.905  -0.529  1.00  0.00           C  
HETATM   24  C   UNL     1       2.721  -3.741   0.098  1.00  0.00           C  
HETATM   25  C   UNL     1       2.062  -5.018  -0.429  1.00  0.00           C  
HETATM   26  C   UNL     1       0.974  -4.184  -1.102  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.430  -4.466  -0.569  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.758  -3.507   0.439  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.532  -3.966   1.773  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.031  -2.914   2.766  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.488  -2.777   2.644  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.183  -3.638   3.619  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.159  -2.479   3.863  1.00  0.00           C  
HETATM   34  F   UNL     1      -4.516  -2.302   5.204  1.00  0.00           F  
HETATM   35  F   UNL     1      -5.253  -2.458   2.990  1.00  0.00           F  
HETATM   36  C   UNL     1      -2.976  -1.614   3.408  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.424  -4.368  -1.698  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.650  -3.974  -1.459  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.644  -3.874  -2.587  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.626  -2.736  -2.304  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.041  -1.473  -2.817  1.00  0.00           N  
HETATM   42  C   UNL     1      -3.714  -1.265  -4.230  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.833  -0.517  -1.859  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.133  -0.725  -0.702  1.00  0.00           O  
HETATM   45  C   UNL     1      -3.224   0.798  -2.272  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.328   1.316  -1.144  1.00  0.00           C  
HETATM   47  O   UNL     1      -2.458   0.463  -0.005  1.00  0.00           O  
HETATM   48  C   UNL     1      -2.746   2.716  -0.774  1.00  0.00           C  
HETATM   49  O   UNL     1      -3.313   3.415  -1.587  1.00  0.00           O  
HETATM   50  N   UNL     1      -2.489   3.191   0.461  1.00  0.00           N  
HETATM   51  S   UNL     1      -2.948   4.729   0.869  1.00  0.00           S  
HETATM   52  O   UNL     1      -2.572   4.913   2.227  1.00  0.00           O  
HETATM   53  O   UNL     1      -2.500   5.573  -0.183  1.00  0.00           O  
HETATM   54  N   UNL     1      -4.603   4.773   0.831  1.00  0.00           N  
HETATM   55  C   UNL     1      -5.298   5.127  -0.408  1.00  0.00           C  
HETATM   56  C   UNL     1      -5.371   4.458   2.038  1.00  0.00           C  
HETATM   57  H   UNL     1       5.766  -0.242  -2.514  1.00  0.00           H  
HETATM   58  H   UNL     1       4.136  -0.957  -2.628  1.00  0.00           H  
HETATM   59  H   UNL     1       4.610  -2.131  -0.412  1.00  0.00           H  
HETATM   60  H   UNL     1       5.619  -2.685  -1.770  1.00  0.00           H  
HETATM   61  H   UNL     1       6.828  -2.194   0.444  1.00  0.00           H  
HETATM   62  H   UNL     1       7.500  -1.453  -1.021  1.00  0.00           H  
HETATM   63  H   UNL     1       8.349  -0.353   1.376  1.00  0.00           H  
HETATM   64  H   UNL     1       6.350   3.359   1.995  1.00  0.00           H  
HETATM   65  H   UNL     1       4.576   2.653   0.445  1.00  0.00           H  
HETATM   66  H   UNL     1       3.489  -1.019   0.364  1.00  0.00           H  
HETATM   67  H   UNL     1       2.733   0.593   0.389  1.00  0.00           H  
HETATM   68  H   UNL     1       3.566   2.389  -1.041  1.00  0.00           H  
HETATM   69  H   UNL     1       4.898   2.113  -2.182  1.00  0.00           H  
HETATM   70  H   UNL     1       1.229   3.161  -3.483  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.125   3.107  -2.754  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.390  -0.470  -0.555  1.00  0.00           H  
HETATM   73  H   UNL     1       1.400  -2.018  -2.463  1.00  0.00           H  
HETATM   74  H   UNL     1       3.069  -2.312  -1.962  1.00  0.00           H  
HETATM   75  H   UNL     1       0.971  -2.412   0.208  1.00  0.00           H  
HETATM   76  H   UNL     1       3.698  -3.549  -0.347  1.00  0.00           H  
HETATM   77  H   UNL     1       2.740  -3.687   1.186  1.00  0.00           H  
HETATM   78  H   UNL     1       2.686  -5.561  -1.139  1.00  0.00           H  
HETATM   79  H   UNL     1       1.679  -5.661   0.364  1.00  0.00           H  
HETATM   80  H   UNL     1       1.019  -4.220  -2.193  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.462  -5.468  -0.142  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.071  -4.900   1.933  1.00  0.00           H  
HETATM   83  H   UNL     1       0.535  -4.132   1.925  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.778  -3.223   3.780  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.556  -1.957   2.550  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.652  -4.513   3.169  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.576  -3.885   4.490  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.313  -1.321   4.222  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.269  -0.773   2.779  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.126  -4.621  -2.705  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.949  -3.722  -0.452  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.116  -3.675  -3.520  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.191  -4.813  -2.673  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.572  -2.934  -2.809  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.795  -2.656  -1.230  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.577  -0.843  -4.745  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.871  -0.578  -4.311  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.450  -2.219  -4.686  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.629   0.656  -3.174  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.017   1.520  -2.469  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.919   0.732   0.751  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.036   2.632   1.111  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.491   4.224  -0.988  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.244   5.614  -0.168  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.677   5.807  -0.992  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.542   5.370   2.609  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.329   4.022   1.755  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.814   3.746   2.648  1.00  0.00           H  
CONECT    1   11    2   57   58                                       
CONECT    2    3    1   59   60                                       
CONECT    3    4    2   61   62                                       
CONECT    4    5    3   10   10                                       
CONECT    5    6    6    4   63                                       
CONECT    6    7    5    5    8                                       
CONECT    7    6                                                      
CONECT    8    6    9    9   64                                       
CONECT    9    8    8   10   65                                       
CONECT   10    4    4    9   11                                       
CONECT   11   13   10    1   12                                       
CONECT   12   11   21   66   67                                       
CONECT   13   14   11   68   69                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   70                                       
CONECT   17   16   18   18   71                                       
CONECT   18   17   17   19   46                                       
CONECT   19   20   20   18   72                                       
CONECT   20   15   21   19   19                                       
CONECT   21   12   20   22                                            
CONECT   22   21   23   73   74                                       
CONECT   23   22   24   26   75                                       
CONECT   24   23   25   76   77                                       
CONECT   25   24   26   78   79                                       
CONECT   26   23   25   27   80                                       
CONECT   27   26   37   28   81                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   82   83                                       
CONECT   30   29   31   84   85                                       
CONECT   31   32   30   36                                            
CONECT   32   31   33   86   87                                       
CONECT   33   35   32   36   34                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   31   33   88   89                                       
CONECT   37   27   38   38   90                                       
CONECT   38   37   37   39   91                                       
CONECT   39   40   38   92   93                                       
CONECT   40   41   39   94   95                                       
CONECT   41   43   40   42                                            
CONECT   42   41   96   97   98                                       
CONECT   43   45   44   44   41                                       
CONECT   44   43   43                                                 
CONECT   45   46   43   99  100                                       
CONECT   46   18   47   48   45                                       
CONECT   47   46  101                                                 
CONECT   48   49   49   46   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   51  102                                            
CONECT   51   53   53   50   52                                       
CONECT   51   52   54                                                 
CONECT   52   51   51                                                 
CONECT   53   51   51                                                 
CONECT   54   51   55   56                                            
CONECT   55   54  103  104  105                                       
CONECT   56   54  106  107  108                                       
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    5                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   19                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   47                                                      
CONECT  102   50                                                      
CONECT  103   55                                                      
CONECT  104   55                                                      
CONECT  105   55                                                      
CONECT  106   56                                                      
CONECT  107   56                                                      
CONECT  108   56                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
