COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.925  -2.906   1.411  1.00  0.00           N  
HETATM    2  N   UNL     1       0.454  -8.447  -1.582  1.00  0.00           N  
HETATM    3  C   UNL     1     -11.283  -1.049   0.506  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.951  -0.697   0.426  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.587   0.520  -0.148  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.158   0.903  -0.236  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.567   2.439  -0.876  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.952   0.387   0.173  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.755  -1.969   1.540  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.386  -2.224   1.819  1.00  0.00           C  
HETATM   11  C   UNL     1       2.170  -4.165   0.694  1.00  0.00           C  
HETATM   12  C   UNL     1       0.450  -7.362  -2.574  1.00  0.00           C  
HETATM   13  C   UNL     1       0.659  -9.750  -2.228  1.00  0.00           C  
HETATM   14  C   UNL     1       1.470  -8.206  -0.548  1.00  0.00           C  
HETATM   15  C   UNL     1       3.132  -2.465   2.131  1.00  0.00           C  
HETATM   16  C   UNL     1       2.824   0.011   2.070  1.00  0.00           C  
HETATM   17  C   UNL     1       3.995   1.378   0.476  1.00  0.00           C  
HETATM   18  F   UNL     1      10.302   0.803  -0.342  1.00  0.00           F  
HETATM   19  C   UNL     1       9.086   1.386  -0.424  1.00  0.00           C  
HETATM   20  C   UNL     1       8.341   1.593   0.727  1.00  0.00           C  
HETATM   21  C   UNL     1       7.099   2.188   0.650  1.00  0.00           C  
HETATM   22  C   UNL     1       8.591   1.781  -1.657  1.00  0.00           C  
HETATM   23  C   UNL     1       7.351   2.377  -1.746  1.00  0.00           C  
HETATM   24  C   UNL     1       6.593   2.583  -0.591  1.00  0.00           C  
HETATM   25  C   UNL     1       5.264   3.220  -0.680  1.00  0.00           C  
HETATM   26  S   UNL     1       4.960   4.783  -1.419  1.00  0.00           S  
HETATM   27  C   UNL     1       3.243   4.697  -1.079  1.00  0.00           C  
HETATM   28  C   UNL     1       2.933   3.491  -0.455  1.00  0.00           C  
HETATM   29  C   UNL     1       4.127   2.678  -0.207  1.00  0.00           C  
HETATM   30  C   UNL     1       3.045   1.241   1.492  1.00  0.00           C  
HETATM   31  C   UNL     1       4.750   0.273   0.083  1.00  0.00           C  
HETATM   32  C   UNL     1       5.831   0.423  -0.956  1.00  0.00           C  
HETATM   33  C   UNL     1       4.499  -0.964   0.653  1.00  0.00           C  
HETATM   34 CL   UNL     1       5.421  -2.349   0.157  1.00  0.00          Cl  
HETATM   35  C   UNL     1       3.516  -1.098   1.617  1.00  0.00           C  
HETATM   36  C   UNL     1       0.966  -4.490  -0.192  1.00  0.00           C  
HETATM   37  N   UNL     1       1.171  -5.794  -0.838  1.00  0.00           N  
HETATM   38  C   UNL     1       1.175  -6.878   0.154  1.00  0.00           C  
HETATM   39  C   UNL     1       0.155  -6.034  -1.872  1.00  0.00           C  
HETATM   40  C   UNL     1       0.783  -3.034   2.321  1.00  0.00           C  
HETATM   41  C   UNL     1       1.576   3.200  -0.179  1.00  0.00           C  
HETATM   42  N   UNL     1       0.660   4.115  -0.457  1.00  0.00           N  
HETATM   43  C   UNL     1       1.007   5.269  -0.999  1.00  0.00           C  
HETATM   44  N   UNL     1       2.248   5.567  -1.308  1.00  0.00           N  
HETATM   45  O   UNL     1       1.222   2.010   0.354  1.00  0.00           O  
HETATM   46  C   UNL     1      -0.036   1.905   1.015  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.593   3.285   1.249  1.00  0.00           C  
HETATM   48  O   UNL     1      -0.181   4.005   2.305  1.00  0.00           O  
HETATM   49  O   UNL     1      -1.411   3.745   0.487  1.00  0.00           O  
HETATM   50  C   UNL     1      -1.019   1.101   0.162  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.261  -0.247   0.790  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.182  -0.999   1.217  1.00  0.00           C  
HETATM   53  C   UNL     1      -1.673  -2.711   1.975  1.00  0.00           C  
HETATM   54  C   UNL     1      -2.550  -0.731   0.945  1.00  0.00           C  
HETATM   55  O   UNL     1      -3.610   0.002   0.515  1.00  0.00           O  
HETATM   56  C   UNL     1      -4.910  -0.561   0.707  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.576   1.595  -0.396  1.00  0.00           C  
HETATM   58  N   UNL     1      -7.832   2.067  -0.781  1.00  0.00           N  
HETATM   59  N   UNL     1      -7.235   0.075   0.236  1.00  0.00           N  
HETATM   60  C   UNL     1     -10.576   1.377  -0.641  1.00  0.00           C  
HETATM   61  O   UNL     1     -10.231   2.564  -1.202  1.00  0.00           O  
HETATM   62  C   UNL     1     -11.295   3.388  -1.684  1.00  0.00           C  
HETATM   63  C   UNL     1     -12.259  -0.199   0.018  1.00  0.00           C  
HETATM   64  C   UNL     1     -11.910   1.010  -0.554  1.00  0.00           C  
HETATM   65  H   UNL     1     -11.564  -1.994   0.947  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.192  -1.363   0.808  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.308   3.386  -1.324  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.758  -2.352   1.662  1.00  0.00           H  
HETATM   69  H   UNL     1       3.060  -4.062   0.073  1.00  0.00           H  
HETATM   70  H   UNL     1       2.320  -4.970   1.413  1.00  0.00           H  
HETATM   71  H   UNL     1       1.425  -7.309  -3.059  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.318  -7.557  -3.322  1.00  0.00           H  
HETATM   73  H   UNL     1       1.616  -9.750  -2.750  1.00  0.00           H  
HETATM   74  H   UNL     1       0.658 -10.535  -1.472  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.144  -9.932  -2.942  1.00  0.00           H  
HETATM   76  H   UNL     1       1.444  -9.016   0.182  1.00  0.00           H  
HETATM   77  H   UNL     1       2.456  -8.163  -1.009  1.00  0.00           H  
HETATM   78  H   UNL     1       2.924  -2.412   3.199  1.00  0.00           H  
HETATM   79  H   UNL     1       3.945  -3.168   1.950  1.00  0.00           H  
HETATM   80  H   UNL     1       2.111  -0.088   2.875  1.00  0.00           H  
HETATM   81  H   UNL     1       8.733   1.288   1.685  1.00  0.00           H  
HETATM   82  H   UNL     1       6.519   2.349   1.546  1.00  0.00           H  
HETATM   83  H   UNL     1       9.178   1.621  -2.549  1.00  0.00           H  
HETATM   84  H   UNL     1       6.966   2.683  -2.708  1.00  0.00           H  
HETATM   85  H   UNL     1       2.484   2.102   1.825  1.00  0.00           H  
HETATM   86  H   UNL     1       6.789   0.586  -0.462  1.00  0.00           H  
HETATM   87  H   UNL     1       5.883  -0.482  -1.560  1.00  0.00           H  
HETATM   88  H   UNL     1       5.603   1.275  -1.596  1.00  0.00           H  
HETATM   89  H   UNL     1       0.064  -4.526   0.420  1.00  0.00           H  
HETATM   90  H   UNL     1       0.857  -3.720  -0.955  1.00  0.00           H  
HETATM   91  H   UNL     1       0.200  -6.931   0.639  1.00  0.00           H  
HETATM   92  H   UNL     1       1.943  -6.684   0.902  1.00  0.00           H  
HETATM   93  H   UNL     1       0.180  -5.224  -2.602  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.831  -6.078  -1.411  1.00  0.00           H  
HETATM   95  H   UNL     1       0.491  -4.082   2.387  1.00  0.00           H  
HETATM   96  H   UNL     1       1.069  -2.678   3.310  1.00  0.00           H  
HETATM   97  H   UNL     1       0.235   5.999  -1.196  1.00  0.00           H  
HETATM   98  H   UNL     1       0.100   1.403   1.973  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.566   4.885   2.413  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.963   1.642   0.090  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.604   0.964  -0.837  1.00  0.00           H  
HETATM  102  H   UNL     1       0.823  -0.626   1.079  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.832  -3.673   2.439  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.080  -0.727   1.771  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.976  -1.511   0.176  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.535   1.872  -0.465  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.883   4.304  -2.107  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.851   2.851  -2.452  1.00  0.00           H  
HETATM  109  H   UNL     1     -11.963   3.637  -0.859  1.00  0.00           H  
HETATM  110  H   UNL     1     -13.300  -0.481   0.083  1.00  0.00           H  
HETATM  111  H   UNL     1     -12.677   1.669  -0.933  1.00  0.00           H  
CONECT    1   15   40   11                                            
CONECT    2   14   12   13                                            
CONECT    3   63   63    4   65                                       
CONECT    4    3    5    5   66                                       
CONECT    5    4    4   60    6                                       
CONECT    6    5   59   59   58                                       
CONECT    7   58   58   57   67                                       
CONECT    8   59   56   57   57                                       
CONECT    9   53   53   54   68                                       
CONECT   10   53   52   52   40                                       
CONECT   11    1   36   69   70                                       
CONECT   12   39    2   71   72                                       
CONECT   13    2   73   74   75                                       
CONECT   14   38    2   76   77                                       
CONECT   15   35    1   78   79                                       
CONECT   16   30   30   35   80                                       
CONECT   17   29   31   31   30                                       
CONECT   18   19                                                      
CONECT   19   20   18   22   22                                       
CONECT   20   21   21   19   81                                       
CONECT   21   20   20   24   82                                       
CONECT   22   19   19   23   83                                       
CONECT   23   24   24   22   84                                       
CONECT   24   21   25   23   23                                       
CONECT   25   26   24   29   29                                       
CONECT   26   27   25                                                 
CONECT   27   26   44   44   28                                       
CONECT   28   27   29   41   41                                       
CONECT   29   25   25   28   17                                       
CONECT   30   17   16   16   85                                       
CONECT   31   32   17   17   33                                       
CONECT   32   31   86   87   88                                       
CONECT   33   31   34   35   35                                       
CONECT   34   33                                                      
CONECT   35   33   33   16   15                                       
CONECT   36   11   37   89   90                                       
CONECT   37   36   38   39                                            
CONECT   38   37   14   91   92                                       
CONECT   39   37   12   93   94                                       
CONECT   40   10    1   95   96                                       
CONECT   41   28   28   42   45                                       
CONECT   42   43   43   41                                            
CONECT   43   44   42   42   97                                       
CONECT   44   27   27   43                                            
CONECT   45   41   46                                                 
CONECT   46   45   47   50   98                                       
CONECT   47   46   49   49   48                                       
CONECT   48   47   99                                                 
CONECT   49   47   47                                                 
CONECT   50   46   51  100  101                                       
CONECT   51   54   54   52   50                                       
CONECT   52   10   10   51  102                                       
CONECT   53    9    9   10  103                                       
CONECT   54    9   55   51   51                                       
CONECT   55   56   54                                                 
CONECT   56    8   55  104  105                                       
CONECT   57    8    8    7  106                                       
CONECT   58    6    7    7                                            
CONECT   59    6    6    8                                            
CONECT   60   64   64    5   61                                       
CONECT   61   60   62                                                 
CONECT   62   61  107  108  109                                       
CONECT   63    3    3   64  110                                       
CONECT   64   63   60   60  111                                       
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    7                                                      
CONECT   68    9                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   43                                                      
CONECT   98   46                                                      
CONECT   99   48                                                      
CONECT  100   50                                                      
CONECT  101   50                                                      
CONECT  102   52                                                      
CONECT  103   53                                                      
CONECT  104   56                                                      
CONECT  105   56                                                      
CONECT  106   57                                                      
CONECT  107   62                                                      
CONECT  108   62                                                      
CONECT  109   62                                                      
CONECT  110   63                                                      
CONECT  111   64                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
