COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -3.198   6.601   1.850  1.00  0.00           F  
HETATM    2  F   UNL     1      -3.697   6.772  -0.373  1.00  0.00           F  
HETATM    3  F   UNL     1      -1.748   7.651   0.430  1.00  0.00           F  
HETATM    4  F   UNL     1      -3.626  -5.711  -1.681  1.00  0.00           F  
HETATM    5  F   UNL     1      -2.083  -4.051  -1.391  1.00  0.00           F  
HETATM    6  F   UNL     1      -4.135  -3.563  -2.270  1.00  0.00           F  
HETATM    7  C   UNL     1      -0.534   0.658   1.722  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.109  -0.604   2.370  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.584  -0.745   1.983  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.693  -0.716   0.518  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.093   0.409  -0.213  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.624   0.537   0.199  1.00  0.00           C  
HETATM   13  C   UNL     1       0.134  -0.683  -0.254  1.00  0.00           C  
HETATM   14  N   UNL     1       1.475  -0.636  -0.379  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.463  -1.709  -0.507  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.059   1.702  -0.405  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.688   2.885  -0.173  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.247   4.041  -0.801  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.888   5.241  -0.563  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.968   5.291   0.299  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.408   4.140   0.926  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.775   2.936   0.687  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.330  -1.702  -0.143  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.420  -1.663  -1.355  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.920  -2.833   0.605  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.431  -2.643   1.889  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.961  -3.649   2.554  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.031  -4.863   2.042  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.546  -5.133   0.775  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.980  -4.110   0.035  1.00  0.00           C  
HETATM   31  C   UNL     1       2.223  -1.777  -0.930  1.00  0.00           C  
HETATM   32  C   UNL     1       3.361  -2.125   0.036  1.00  0.00           C  
HETATM   33  N   UNL     1       4.165  -0.922   0.294  1.00  0.00           N  
HETATM   34  C   UNL     1       3.368   0.118   0.960  1.00  0.00           C  
HETATM   35  C   UNL     1       2.230   0.559   0.027  1.00  0.00           C  
HETATM   36  C   UNL     1       5.308  -1.233   1.039  1.00  0.00           C  
HETATM   37  C   UNL     1       5.183  -1.805   2.297  1.00  0.00           C  
HETATM   38  C   UNL     1       6.314  -2.112   3.031  1.00  0.00           C  
HETATM   39  C   UNL     1       7.569  -1.849   2.515  1.00  0.00           C  
HETATM   40  C   UNL     1       7.701  -1.278   1.262  1.00  0.00           C  
HETATM   41  C   UNL     1       6.573  -0.973   0.518  1.00  0.00           C  
HETATM   42  O   UNL     1       6.701  -0.416  -0.716  1.00  0.00           O  
HETATM   43  C   UNL     1       8.030  -0.178  -1.186  1.00  0.00           C  
HETATM   44  C   UNL     1       7.973   0.447  -2.581  1.00  0.00           C  
HETATM   45  O   UNL     1       7.363   1.737  -2.501  1.00  0.00           O  
HETATM   46  C   UNL     1      -2.665   6.602   0.556  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.446  -4.363  -1.352  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.183   0.149  -1.718  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.568   1.327  -2.477  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.785   1.135  -3.979  1.00  0.00           C  
HETATM   51  H   UNL     1      -1.103   1.527   2.052  1.00  0.00           H  
HETATM   52  H   UNL     1       0.510   0.774   2.016  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.556  -1.476   2.022  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.022  -0.528   3.454  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.971  -1.692   2.359  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.155   0.079   2.410  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.624   1.329   0.034  1.00  0.00           H  
HETATM   58  H   UNL     1       0.597   4.003  -1.474  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.545   6.142  -1.051  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.252   4.182   1.599  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.123   2.037   1.173  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.392  -1.664   2.342  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.474  -5.659   2.622  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.609  -6.131   0.367  1.00  0.00           H  
HETATM   65  H   UNL     1       1.558  -2.634  -1.035  1.00  0.00           H  
HETATM   66  H   UNL     1       2.636  -1.509  -1.902  1.00  0.00           H  
HETATM   67  H   UNL     1       2.944  -2.491   0.973  1.00  0.00           H  
HETATM   68  H   UNL     1       3.992  -2.895  -0.408  1.00  0.00           H  
HETATM   69  H   UNL     1       2.951  -0.280   1.884  1.00  0.00           H  
HETATM   70  H   UNL     1       4.004   0.973   1.186  1.00  0.00           H  
HETATM   71  H   UNL     1       2.644   1.048  -0.856  1.00  0.00           H  
HETATM   72  H   UNL     1       1.569   1.248   0.553  1.00  0.00           H  
HETATM   73  H   UNL     1       4.204  -2.011   2.702  1.00  0.00           H  
HETATM   74  H   UNL     1       6.216  -2.557   4.010  1.00  0.00           H  
HETATM   75  H   UNL     1       8.450  -2.090   3.092  1.00  0.00           H  
HETATM   76  H   UNL     1       8.683  -1.074   0.862  1.00  0.00           H  
HETATM   77  H   UNL     1       8.540   0.502  -0.504  1.00  0.00           H  
HETATM   78  H   UNL     1       8.573  -1.122  -1.233  1.00  0.00           H  
HETATM   79  H   UNL     1       8.984   0.547  -2.976  1.00  0.00           H  
HETATM   80  H   UNL     1       7.386  -0.192  -3.242  1.00  0.00           H  
HETATM   81  H   UNL     1       7.294   2.193  -3.351  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.640  -0.763  -1.962  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.229   0.038  -2.006  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.044   2.254  -2.156  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.500   1.376  -2.267  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.347   1.975  -4.519  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.309   0.209  -4.299  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.853   1.087  -4.188  1.00  0.00           H  
CONECT    1   46                                                      
CONECT    2   46                                                      
CONECT    3   46                                                      
CONECT    4   47                                                      
CONECT    5   47                                                      
CONECT    6   47                                                      
CONECT    7    8   12   51   52                                       
CONECT    8    9    7   53   54                                       
CONECT    9   10    8   55   56                                       
CONECT   10   23    9   11                                            
CONECT   11   48   10   12   57                                       
CONECT   12   11    7   13   16                                       
CONECT   13   12   14   15   15                                       
CONECT   14   35   13   31                                            
CONECT   15   13   13                                                 
CONECT   16   12   17                                                 
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   58                                       
CONECT   19   18   20   20   59                                       
CONECT   20   19   19   21   46                                       
CONECT   21   22   22   20   60                                       
CONECT   22   17   21   21   61                                       
CONECT   23   25   24   24   10                                       
CONECT   24   23   23                                                 
CONECT   25   26   26   30   23                                       
CONECT   26   27   25   25   62                                       
CONECT   27   28   28   26                                            
CONECT   28   27   27   29   63                                       
CONECT   29   28   30   30   64                                       
CONECT   30   29   29   25   47                                       
CONECT   31   14   32   65   66                                       
CONECT   32   31   33   67   68                                       
CONECT   33   34   32   36                                            
CONECT   34   35   33   69   70                                       
CONECT   35   14   34   71   72                                       
CONECT   36   33   41   41   37                                       
CONECT   37   36   38   38   73                                       
CONECT   38   37   37   39   74                                       
CONECT   39   40   40   38   75                                       
CONECT   40   41   39   39   76                                       
CONECT   41   42   36   36   40                                       
CONECT   42   43   41                                                 
CONECT   43   44   42   77   78                                       
CONECT   44   45   43   79   80                                       
CONECT   45   44   81                                                 
CONECT   46   20    2    1    3                                       
CONECT   47   30    4    6    5                                       
CONECT   48   49   11   82   83                                       
CONECT   49   50   48   84   85                                       
CONECT   50   49   86   87   88                                       
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
CONECT   81   45                                                      
CONECT   82   48                                                      
CONECT   83   48                                                      
CONECT   84   49                                                      
CONECT   85   49                                                      
CONECT   86   50                                                      
CONECT   87   50                                                      
CONECT   88   50                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
