COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      13.195   0.420   1.237  1.00  0.00           O  
HETATM    2  C   UNL     1      13.248   0.905   0.132  1.00  0.00           C  
HETATM    3  O   UNL     1      14.437   1.216  -0.408  1.00  0.00           O  
HETATM    4  C   UNL     1      11.980   1.156  -0.643  1.00  0.00           C  
HETATM    5  C   UNL     1      10.777   0.710   0.190  1.00  0.00           C  
HETATM    6  C   UNL     1       9.509   0.960  -0.584  1.00  0.00           C  
HETATM    7  O   UNL     1       9.562   1.448  -1.694  1.00  0.00           O  
HETATM    8  N   UNL     1       8.315   0.643  -0.044  1.00  0.00           N  
HETATM    9  C   UNL     1       7.082   0.887  -0.797  1.00  0.00           C  
HETATM   10  C   UNL     1       5.879   0.441   0.036  1.00  0.00           C  
HETATM   11  C   UNL     1       4.592   0.695  -0.750  1.00  0.00           C  
HETATM   12  C   UNL     1       3.388   0.249   0.083  1.00  0.00           C  
HETATM   13  C   UNL     1       2.101   0.503  -0.703  1.00  0.00           C  
HETATM   14  C   UNL     1       0.898   0.058   0.130  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.305   0.295  -0.604  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.466  -0.046  -0.006  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.456  -0.531   1.110  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.697   0.162  -0.677  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.843   0.703  -1.941  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.175   0.760  -2.282  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.840   1.210  -3.420  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.215   1.143  -3.482  1.00  0.00           C  
HETATM   23 CL   UNL     1      -7.040   1.704  -4.902  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -3.955  -0.149  -0.174  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.923   0.242  -1.209  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.315   0.182  -1.294  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.948   0.630  -2.418  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.257  -0.743   1.135  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.363  -2.084   1.432  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.192  -3.197   0.494  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.729  -3.540   0.382  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.171  -4.476   1.234  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.830  -4.791   1.132  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.044  -4.170   0.176  1.00  0.00           C  
HETATM   35 CL   UNL     1       1.641  -4.565   0.047  1.00  0.00          Cl  
HETATM   36  C   UNL     1      -0.603  -3.234  -0.676  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.946  -2.923  -0.576  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.651  -2.184   2.747  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.729  -0.991   3.270  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.489  -0.066   2.324  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.483   1.402   2.514  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.372   1.995   3.411  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.362   3.364   3.585  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.471   4.149   2.870  1.00  0.00           C  
HETATM   45  F   UNL     1      -4.466   5.489   3.044  1.00  0.00           F  
HETATM   46  C   UNL     1      -3.586   3.564   1.979  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.584   2.197   1.802  1.00  0.00           C  
HETATM   48  H   UNL     1      15.223   1.034   0.125  1.00  0.00           H  
HETATM   49  H   UNL     1      11.894   2.220  -0.865  1.00  0.00           H  
HETATM   50  H   UNL     1      12.006   0.591  -1.575  1.00  0.00           H  
HETATM   51  H   UNL     1      10.863  -0.354   0.412  1.00  0.00           H  
HETATM   52  H   UNL     1      10.751   1.275   1.122  1.00  0.00           H  
HETATM   53  H   UNL     1       8.273   0.253   0.843  1.00  0.00           H  
HETATM   54  H   UNL     1       6.996   1.950  -1.019  1.00  0.00           H  
HETATM   55  H   UNL     1       7.108   0.322  -1.729  1.00  0.00           H  
HETATM   56  H   UNL     1       5.965  -0.623   0.258  1.00  0.00           H  
HETATM   57  H   UNL     1       5.853   1.005   0.968  1.00  0.00           H  
HETATM   58  H   UNL     1       4.506   1.759  -0.972  1.00  0.00           H  
HETATM   59  H   UNL     1       4.617   0.130  -1.682  1.00  0.00           H  
HETATM   60  H   UNL     1       3.474  -0.815   0.305  1.00  0.00           H  
HETATM   61  H   UNL     1       3.363   0.814   1.015  1.00  0.00           H  
HETATM   62  H   UNL     1       2.015   1.567  -0.925  1.00  0.00           H  
HETATM   63  H   UNL     1       2.127  -0.061  -1.635  1.00  0.00           H  
HETATM   64  H   UNL     1       0.984  -1.006   0.352  1.00  0.00           H  
HETATM   65  H   UNL     1       0.872   0.622   1.062  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.112   0.999  -2.507  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.280   1.611  -4.251  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.890  -0.223  -0.474  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.025   0.583  -2.482  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.742  -4.065   0.857  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.574  -2.908  -0.485  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.784  -4.960   1.979  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.394  -5.521   1.797  1.00  0.00           H  
HETATM   74  H   UNL     1       0.009  -2.749  -1.422  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.383  -2.196  -1.243  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.796  -3.109   3.284  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.067   1.385   3.968  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.050   3.824   4.279  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.894   4.181   1.424  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.893   1.742   1.107  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   48                                                 
CONECT    4    2    5   49   50                                       
CONECT    5    4    6   51   52                                       
CONECT    6    5    8    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   53                                            
CONECT    9    8   10   54   55                                       
CONECT   10    9   11   56   57                                       
CONECT   11   10   12   58   59                                       
CONECT   12   11   13   60   61                                       
CONECT   13   12   14   62   63                                       
CONECT   14   13   15   64   65                                       
CONECT   15   14   16                                                 
CONECT   16   15   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   24   24   16   19                                       
CONECT   19   18   20   66                                            
CONECT   20   25   19   21   21                                       
CONECT   21   20   20   22   67                                       
CONECT   22   27   27   21   23                                       
CONECT   23   22                                                      
CONECT   24   28   25   18   18                                       
CONECT   25   24   26   26   20                                       
CONECT   26   25   25   27   68                                       
CONECT   27   26   22   22   69                                       
CONECT   28   40   40   29   24                                       
CONECT   29   38   28   30                                            
CONECT   30   29   31   70   71                                       
CONECT   31   30   37   37   32                                       
CONECT   32   31   33   33   72                                       
CONECT   33   32   32   34   73                                       
CONECT   34   36   36   33   35                                       
CONECT   35   34                                                      
CONECT   36   37   34   34   74                                       
CONECT   37   31   31   36   75                                       
CONECT   38   39   39   29   76                                       
CONECT   39   40   38   38                                            
CONECT   40   41   39   28   28                                       
CONECT   41   47   47   42   40                                       
CONECT   42   43   43   41   77                                       
CONECT   43   44   42   42   78                                       
CONECT   44   45   46   46   43                                       
CONECT   45   44                                                      
CONECT   46   44   44   47   79                                       
CONECT   47   46   41   41   80                                       
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   46                                                      
CONECT   80   47                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
