COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.562  -1.048  -0.304  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.879   0.153  -0.230  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.504   0.162  -0.123  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.801  -1.043  -0.091  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.496  -2.251  -0.167  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.872  -2.247  -0.267  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.326  -1.041   0.017  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.716  -2.092   0.040  1.00  0.00           O  
HETATM    9  N   UNL     1      -5.658   0.128   0.089  1.00  0.00           N  
HETATM   10  N   UNL     1      -4.261   0.131   0.191  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.593   1.299   0.264  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.203   2.350   0.241  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.118   1.302   0.372  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.415   0.096   0.393  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.039   0.106   0.493  1.00  0.00           C  
HETATM   16  C   UNL     1       0.643   1.307   0.573  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.048   2.505   0.553  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.423   2.510   0.447  1.00  0.00           C  
HETATM   19  C   UNL     1       2.147   1.310   0.684  1.00  0.00           C  
HETATM   20  N   UNL     1       2.734   1.345  -0.658  1.00  0.00           N  
HETATM   21  S   UNL     1       4.334   1.728  -0.850  1.00  0.00           S  
HETATM   22  O   UNL     1       4.602   1.643  -2.243  1.00  0.00           O  
HETATM   23  O   UNL     1       4.561   2.903  -0.085  1.00  0.00           O  
HETATM   24  C   UNL     1       5.272   0.447  -0.085  1.00  0.00           C  
HETATM   25  C   UNL     1       5.615   0.547   1.250  1.00  0.00           C  
HETATM   26  C   UNL     1       6.351  -0.457   1.852  1.00  0.00           C  
HETATM   27  C   UNL     1       6.744  -1.562   1.118  1.00  0.00           C  
HETATM   28  C   UNL     1       6.400  -1.661  -0.221  1.00  0.00           C  
HETATM   29  C   UNL     1       5.659  -0.658  -0.819  1.00  0.00           C  
HETATM   30 CL   UNL     1       6.892  -3.047  -1.144  1.00  0.00          Cl  
HETATM   31  F   UNL     1       7.463  -2.544   1.705  1.00  0.00           F  
HETATM   32  H   UNL     1     -11.639  -1.051  -0.387  1.00  0.00           H  
HETATM   33  H   UNL     1     -10.424   1.085  -0.255  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.972   1.100  -0.066  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.958  -3.188  -0.142  1.00  0.00           H  
HETATM   36  H   UNL     1     -10.411  -3.181  -0.325  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.145   0.967   0.071  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.774  -0.708   0.210  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.946  -0.842   0.330  1.00  0.00           H  
HETATM   40  H   UNL     1       0.507  -0.826   0.510  1.00  0.00           H  
HETATM   41  H   UNL     1       0.491   3.439   0.616  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.962   3.446   0.427  1.00  0.00           H  
HETATM   43  H   UNL     1       2.468   2.188   1.245  1.00  0.00           H  
HETATM   44  H   UNL     1       2.475   0.408   1.201  1.00  0.00           H  
HETATM   45  H   UNL     1       2.187   1.145  -1.433  1.00  0.00           H  
HETATM   46  H   UNL     1       5.309   1.409   1.824  1.00  0.00           H  
HETATM   47  H   UNL     1       6.619  -0.378   2.896  1.00  0.00           H  
HETATM   48  H   UNL     1       5.387  -0.737  -1.861  1.00  0.00           H  
CONECT    1    6    6    2   32                                       
CONECT    2    3    3    1   33                                       
CONECT    3    4    2    2   34                                       
CONECT    4    7    5    5    3                                       
CONECT    5    4    4    6   35                                       
CONECT    6    5    1    1   36                                       
CONECT    7    9    8    8    4                                       
CONECT    8    7    7                                                 
CONECT    9   10    7   37                                            
CONECT   10   11    9   38                                            
CONECT   11   12   12   13   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   18   18                                       
CONECT   14   15   15   13   39                                       
CONECT   15   14   14   16   40                                       
CONECT   16   15   19   17   17                                       
CONECT   17   16   16   18   41                                       
CONECT   18   13   13   17   42                                       
CONECT   19   20   16   43   44                                       
CONECT   20   19   21   45                                            
CONECT   21   20   23   23   24                                       
CONECT   21   22   22                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   25   21   29   29                                       
CONECT   25   26   26   24   46                                       
CONECT   26   25   25   27   47                                       
CONECT   27   26   31   28   28                                       
CONECT   28   27   27   29   30                                       
CONECT   29   24   24   28   48                                       
CONECT   30   28                                                      
CONECT   31   27                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
