COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.287  -0.269  -0.222  1.00  0.00           C  
HETATM    2  C   UNL     1       3.302  -0.587  -1.146  1.00  0.00           C  
HETATM    3  C   UNL     1       3.380  -1.769  -1.857  1.00  0.00           C  
HETATM    4  C   UNL     1       4.430  -2.641  -1.638  1.00  0.00           C  
HETATM    5  C   UNL     1       5.410  -2.329  -0.713  1.00  0.00           C  
HETATM    6  C   UNL     1       5.340  -1.145  -0.005  1.00  0.00           C  
HETATM    7  C   UNL     1       2.157   0.363  -1.385  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.400   1.226  -0.774  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.680   1.087   0.052  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.668   2.144  -0.370  1.00  0.00           C  
HETATM   11  S   UNL     1       0.789  -0.046  -0.266  1.00  0.00           S  
HETATM   12  O   UNL     1      -2.256  -0.228  -0.165  1.00  0.00           O  
HETATM   13  O   UNL     1       0.275  -1.324  -0.612  1.00  0.00           O  
HETATM   14  O   UNL     1       1.195   0.209   1.072  1.00  0.00           O  
HETATM   15  N   UNL     1      -2.390   3.446  -0.165  1.00  0.00           N  
HETATM   16  O   UNL     1      -3.713   1.822  -0.895  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.351   4.474  -0.576  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.817   5.805  -0.245  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.966  -0.822   0.812  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.501  -2.043   0.610  1.00  0.00           N  
HETATM   21  O   UNL     1      -3.126  -0.257   1.876  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.283  -2.718   1.660  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.568  -3.260   1.024  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.237  -4.110  -0.074  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.691  -3.292  -1.107  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.330  -2.750  -0.671  1.00  0.00           C  
HETATM   27  O   UNL     1       4.216   0.897   0.474  1.00  0.00           O  
HETATM   28  C   UNL     1       5.354   0.932   1.338  1.00  0.00           C  
HETATM   29  F   UNL     1       6.523   0.881   0.571  1.00  0.00           F  
HETATM   30  F   UNL     1       5.315  -0.167   2.204  1.00  0.00           F  
HETATM   31  N   UNL     1      -2.405   6.832   0.011  1.00  0.00           N  
HETATM   32  H   UNL     1       2.617  -2.015  -2.580  1.00  0.00           H  
HETATM   33  H   UNL     1       4.487  -3.567  -2.191  1.00  0.00           H  
HETATM   34  H   UNL     1       6.229  -3.011  -0.544  1.00  0.00           H  
HETATM   35  H   UNL     1       6.106  -0.901   0.717  1.00  0.00           H  
HETATM   36  H   UNL     1       2.487   1.385  -1.197  1.00  0.00           H  
HETATM   37  H   UNL     1       1.820   0.274  -2.418  1.00  0.00           H  
HETATM   38  H   UNL     1       0.032   2.214  -0.611  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.635   1.103  -1.831  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.446   1.211   1.109  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.555   3.704   0.254  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.518   4.406  -1.651  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.294   4.320  -0.051  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.704  -3.542   2.078  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.534  -2.007   2.447  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.129  -3.828   1.766  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.176  -2.428   0.668  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.573  -3.884  -2.015  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.364  -2.457  -1.304  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.948  -2.062  -1.425  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.631  -3.576  -0.537  1.00  0.00           H  
HETATM   52  H   UNL     1       5.340   1.853   1.919  1.00  0.00           H  
CONECT    1    2    2    6   27                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4   32                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    6   34                                       
CONECT    6    1    5    5   35                                       
CONECT    7    2   11   36   37                                       
CONECT    8    9   11   38   39                                       
CONECT    9    8   10   12   40                                       
CONECT   10    9   15   16   16                                       
CONECT   11    7    8   13   13                                       
CONECT   11   14   14                                                 
CONECT   12    9   19                                                 
CONECT   13   11   11                                                 
CONECT   14   11   11                                                 
CONECT   15   10   17   41                                            
CONECT   16   10   10                                                 
CONECT   17   15   18   42   43                                       
CONECT   18   17   31   31   31                                       
CONECT   19   12   20   21   21                                       
CONECT   20   19   22   26                                            
CONECT   21   19   19                                                 
CONECT   22   20   23   44   45                                       
CONECT   23   22   24   46   47                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   48   49                                       
CONECT   26   20   25   50   51                                       
CONECT   27    1   28                                                 
CONECT   28   27   29   30   52                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   18   18   18                                            
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
