COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.232   2.496   4.020  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.651   2.141   3.111  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.917   1.694   1.965  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.808   0.863   2.125  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.313   2.083   0.684  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.604   1.649  -0.418  1.00  0.00           C  
HETATM    7 CL   UNL     1      -6.097   2.133  -2.011  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -4.500   0.830  -0.257  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.103   0.434   1.013  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.018  -0.370   1.165  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.352  -0.762   0.046  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.305   0.006  -0.445  1.00  0.00           C  
HETATM   13  F   UNL     1      -0.945   1.144   0.188  1.00  0.00           F  
HETATM   14  C   UNL     1      -2.714  -1.934  -0.604  1.00  0.00           C  
HETATM   15 BR   UNL     1      -4.136  -2.987   0.065  1.00  0.00          Br  
HETATM   16  C   UNL     1      -2.036  -2.330  -1.742  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.997  -1.561  -2.232  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.629  -0.396  -1.584  1.00  0.00           C  
HETATM   19  C   UNL     1       0.504   0.440  -2.122  1.00  0.00           C  
HETATM   20  C   UNL     1       1.781   0.068  -1.414  1.00  0.00           C  
HETATM   21  O   UNL     1       1.773  -0.790  -0.558  1.00  0.00           O  
HETATM   22  N   UNL     1       2.934   0.691  -1.733  1.00  0.00           N  
HETATM   23  C   UNL     1       4.101   0.414  -1.013  1.00  0.00           C  
HETATM   24  C   UNL     1       5.029   1.421  -0.776  1.00  0.00           C  
HETATM   25 CL   UNL     1       4.741   3.026  -1.372  1.00  0.00          Cl  
HETATM   26  C   UNL     1       6.181   1.144  -0.064  1.00  0.00           C  
HETATM   27  C   UNL     1       6.410  -0.134   0.412  1.00  0.00           C  
HETATM   28  S   UNL     1       7.879  -0.483   1.319  1.00  0.00           S  
HETATM   29  O   UNL     1       8.110  -1.879   1.188  1.00  0.00           O  
HETATM   30  O   UNL     1       8.831   0.501   0.937  1.00  0.00           O  
HETATM   31  N   UNL     1       7.544  -0.213   2.918  1.00  0.00           N  
HETATM   32  C   UNL     1       5.489  -1.138   0.177  1.00  0.00           C  
HETATM   33  C   UNL     1       4.333  -0.866  -0.529  1.00  0.00           C  
HETATM   34  H   UNL     1      -4.499   0.555   3.113  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.174   2.722   0.555  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.949   0.494  -1.123  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.318  -3.241  -2.248  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.468  -1.873  -3.121  1.00  0.00           H  
HETATM   39  H   UNL     1       0.614   0.257  -3.191  1.00  0.00           H  
HETATM   40  H   UNL     1       0.288   1.495  -1.954  1.00  0.00           H  
HETATM   41  H   UNL     1       2.954   1.330  -2.462  1.00  0.00           H  
HETATM   42  H   UNL     1       6.902   1.926   0.120  1.00  0.00           H  
HETATM   43  H   UNL     1       8.005  -0.721   3.603  1.00  0.00           H  
HETATM   44  H   UNL     1       6.886   0.454   3.170  1.00  0.00           H  
HETATM   45  H   UNL     1       5.672  -2.135   0.550  1.00  0.00           H  
HETATM   46  H   UNL     1       3.612  -1.650  -0.707  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    4    4    5    2                                       
CONECT    4    9    3    3   34                                       
CONECT    5    6    6    3   35                                       
CONECT    6    8    7    5    5                                       
CONECT    7    6                                                      
CONECT    8    9    9    6   36                                       
CONECT    9   10    8    8    4                                       
CONECT   10   11    9                                                 
CONECT   11   12   12   14   10                                       
CONECT   12   18   13   11   11                                       
CONECT   13   12                                                      
CONECT   14   16   16   11   15                                       
CONECT   15   14                                                      
CONECT   16   17   14   14   37                                       
CONECT   17   18   18   16   38                                       
CONECT   18   19   17   17   12                                       
CONECT   19   20   18   39   40                                       
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   41                                            
CONECT   23   33   33   22   24                                       
CONECT   24   23   26   26   25                                       
CONECT   25   24                                                      
CONECT   26   27   24   24   42                                       
CONECT   27   32   32   26   28                                       
CONECT   28   31   27   30   30                                       
CONECT   28   29   29                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   43   44                                            
CONECT   32   33   27   27   45                                       
CONECT   33   23   23   32   46                                       
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   22                                                      
CONECT   42   26                                                      
CONECT   43   31                                                      
CONECT   44   31                                                      
CONECT   45   32                                                      
CONECT   46   33                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
