COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       4.231  -1.825   3.015  1.00  0.00           F  
HETATM    2  F   UNL     1       2.573  -3.316   2.519  1.00  0.00           F  
HETATM    3  C   UNL     1       3.911  -2.977   2.288  1.00  0.00           C  
HETATM    4  O   UNL     1       4.106  -2.730   0.894  1.00  0.00           O  
HETATM    5  C   UNL     1       3.682  -3.405  -3.621  1.00  0.00           C  
HETATM    6  C   UNL     1       4.123  -4.228  -2.409  1.00  0.00           C  
HETATM    7  C   UNL     1       3.335  -2.932  -2.208  1.00  0.00           C  
HETATM    8  O   UNL     1       4.045  -1.801  -1.698  1.00  0.00           O  
HETATM    9  C   UNL     1       3.281  -1.702   0.558  1.00  0.00           C  
HETATM   10  C   UNL     1       3.251  -1.233  -0.752  1.00  0.00           C  
HETATM   11  C   UNL     1       2.405  -0.189  -1.091  1.00  0.00           C  
HETATM   12  C   UNL     1       1.602   0.391  -0.126  1.00  0.00           C  
HETATM   13  C   UNL     1       1.633  -0.075   1.175  1.00  0.00           C  
HETATM   14  C   UNL     1       2.470  -1.119   1.519  1.00  0.00           C  
HETATM   15  C   UNL     1       0.687   1.531  -0.496  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.741   1.139  -0.215  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.568   0.480   1.005  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.292   0.792   0.926  1.00  0.00           N  
HETATM   19  S   UNL     1      -2.079   1.031  -1.316  1.00  0.00           S  
HETATM   20  C   UNL     1      -3.312   0.513  -0.130  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.773   0.206  -0.333  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.281   0.995  -1.411  1.00  0.00           O  
HETATM   23  C   UNL     1      -5.546   0.533   0.946  1.00  0.00           C  
HETATM   24  F   UNL     1      -6.902   0.248   0.758  1.00  0.00           F  
HETATM   25  F   UNL     1      -5.049  -0.239   2.002  1.00  0.00           F  
HETATM   26  F   UNL     1      -5.393   1.890   1.249  1.00  0.00           F  
HETATM   27  C   UNL     1      -4.941  -1.279  -0.664  1.00  0.00           C  
HETATM   28  F   UNL     1      -4.234  -1.578  -1.834  1.00  0.00           F  
HETATM   29  F   UNL     1      -4.444  -2.051   0.391  1.00  0.00           F  
HETATM   30  F   UNL     1      -6.297  -1.564  -0.853  1.00  0.00           F  
HETATM   31  C   UNL     1       1.050   2.765   0.332  1.00  0.00           C  
HETATM   32  C   UNL     1       2.435   3.230  -0.039  1.00  0.00           C  
HETATM   33  C   UNL     1       2.616   4.151  -1.060  1.00  0.00           C  
HETATM   34  C   UNL     1       3.908   4.550  -1.367  1.00  0.00           C  
HETATM   35  C   UNL     1       3.539   2.747   0.637  1.00  0.00           C  
HETATM   36  C   UNL     1       4.965   4.020  -0.652  1.00  0.00           C  
HETATM   37  O   UNL     1       5.863   2.624   1.024  1.00  0.00           O1-
HETATM   38  N   UNL     1       4.755   3.145   0.313  1.00  0.00           N1+
HETATM   39  H   UNL     1       4.554  -3.797   2.606  1.00  0.00           H  
HETATM   40  H   UNL     1       2.872  -3.803  -4.232  1.00  0.00           H  
HETATM   41  H   UNL     1       4.452  -2.854  -4.161  1.00  0.00           H  
HETATM   42  H   UNL     1       5.182  -4.219  -2.152  1.00  0.00           H  
HETATM   43  H   UNL     1       3.602  -5.168  -2.222  1.00  0.00           H  
HETATM   44  H   UNL     1       2.296  -3.018  -1.890  1.00  0.00           H  
HETATM   45  H   UNL     1       2.379   0.177  -2.106  1.00  0.00           H  
HETATM   46  H   UNL     1       1.001   0.378   1.924  1.00  0.00           H  
HETATM   47  H   UNL     1       2.493  -1.481   2.536  1.00  0.00           H  
HETATM   48  H   UNL     1       0.800   1.758  -1.556  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.011   0.196   1.948  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.768   0.758  -2.196  1.00  0.00           H  
HETATM   51  H   UNL     1       0.334   3.561   0.130  1.00  0.00           H  
HETATM   52  H   UNL     1       1.024   2.512   1.392  1.00  0.00           H  
HETATM   53  H   UNL     1       1.771   4.548  -1.603  1.00  0.00           H  
HETATM   54  H   UNL     1       4.086   5.265  -2.157  1.00  0.00           H  
HETATM   55  H   UNL     1       3.406   2.030   1.433  1.00  0.00           H  
HETATM   56  H   UNL     1       5.974   4.326  -0.885  1.00  0.00           H  
CONECT    1    3                                                      
CONECT    2    3                                                      
CONECT    3    1    2    4   39                                       
CONECT    4    3    9                                                 
CONECT    5    6    7   40   41                                       
CONECT    6    5    7   42   43                                       
CONECT    7    5    6    8   44                                       
CONECT    8    7   10                                                 
CONECT    9    4   10   14   14                                       
CONECT   10    8    9   11   11                                       
CONECT   11   10   10   12   45                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12   14   46                                       
CONECT   14    9    9   13   47                                       
CONECT   15   12   16   31   48                                       
CONECT   16   15   18   18   19                                       
CONECT   17   18   20   20   49                                       
CONECT   18   16   16   17                                            
CONECT   19   16   20                                                 
CONECT   20   17   17   19   21                                       
CONECT   21   20   22   23   27                                       
CONECT   22   21   50                                                 
CONECT   23   21   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   21   28   29   30                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   27                                                      
CONECT   31   15   32   51   52                                       
CONECT   32   31   33   35   35                                       
CONECT   33   32   34   34   53                                       
CONECT   34   33   33   36   54                                       
CONECT   35   32   32   38   55                                       
CONECT   36   34   38   38   56                                       
CONECT   37   38                                                      
CONECT   38   35   36   36   37                                       
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   22                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   33                                                      
CONECT   54   34                                                      
CONECT   55   35                                                      
CONECT   56   36                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
