COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.410   1.058   0.172  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.564   1.816   0.206  1.00  0.00           C  
HETATM    3 CL   UNL     1      -5.467   3.547   0.123  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -6.798   1.197   0.306  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.054   2.029   0.343  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.884  -0.183   0.373  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.738  -0.950   0.339  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.490  -0.333   0.233  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.259  -1.151   0.196  1.00  0.00           C  
HETATM   10  S   UNL     1      -3.230  -2.902   0.278  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.027  -0.652   0.091  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.974  -1.645   0.075  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.476  -2.947   0.172  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.619  -3.976   0.170  1.00  0.00           N  
HETATM   15  C   UNL     1       0.676  -3.779   0.079  1.00  0.00           C  
HETATM   16  N   UNL     1       1.200  -2.570  -0.014  1.00  0.00           N  
HETATM   17  C   UNL     1       0.434  -1.490  -0.024  1.00  0.00           C  
HETATM   18  N   UNL     1       0.997  -0.230  -0.123  1.00  0.00           N  
HETATM   19  C   UNL     1       2.454  -0.076  -0.111  1.00  0.00           C  
HETATM   20  P   UNL     1       3.040   0.290  -1.798  1.00  0.00           P  
HETATM   21  O   UNL     1       4.648   0.208  -1.838  1.00  0.00           O  
HETATM   22  O   UNL     1       2.422  -0.784  -2.826  1.00  0.00           O  
HETATM   23  O   UNL     1       2.606   1.651  -2.187  1.00  0.00           O  
HETATM   24  C   UNL     1       2.838   1.073   0.823  1.00  0.00           C  
HETATM   25  C   UNL     1       4.337   1.231   0.835  1.00  0.00           C  
HETATM   26  C   UNL     1       5.098   0.531   1.752  1.00  0.00           C  
HETATM   27  C   UNL     1       6.475   0.677   1.763  1.00  0.00           C  
HETATM   28  F   UNL     1       7.220  -0.008   2.658  1.00  0.00           F  
HETATM   29  C   UNL     1       7.088   1.524   0.855  1.00  0.00           C  
HETATM   30  C   UNL     1       6.324   2.223  -0.061  1.00  0.00           C  
HETATM   31  C   UNL     1       4.950   2.072  -0.075  1.00  0.00           C  
HETATM   32  H   UNL     1      -3.447   1.542   0.093  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.417   2.183  -0.673  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.816   1.511   0.926  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.838   2.993   0.802  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.849  -0.660   0.451  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.806  -2.027   0.392  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.830   0.408   0.025  1.00  0.00           H  
HETATM   39  H   UNL     1       1.335  -4.635   0.080  1.00  0.00           H  
HETATM   40  H   UNL     1       0.428   0.551  -0.200  1.00  0.00           H  
HETATM   41  H   UNL     1       2.914  -1.000   0.241  1.00  0.00           H  
HETATM   42  H   UNL     1       5.003  -0.658  -1.594  1.00  0.00           H  
HETATM   43  H   UNL     1       2.693  -0.650  -3.745  1.00  0.00           H  
HETATM   44  H   UNL     1       2.378   1.996   0.471  1.00  0.00           H  
HETATM   45  H   UNL     1       2.488   0.854   1.832  1.00  0.00           H  
HETATM   46  H   UNL     1       4.619  -0.129   2.460  1.00  0.00           H  
HETATM   47  H   UNL     1       8.161   1.638   0.862  1.00  0.00           H  
HETATM   48  H   UNL     1       6.802   2.884  -0.769  1.00  0.00           H  
HETATM   49  H   UNL     1       4.355   2.615  -0.794  1.00  0.00           H  
CONECT    1    8    8    2   32                                       
CONECT    2    4    4    1    3                                       
CONECT    3    2                                                      
CONECT    4    6    5    2    2                                       
CONECT    5    4   33   34   35                                       
CONECT    6    7    7    4   36                                       
CONECT    7    6    6    8   37                                       
CONECT    8    7    9    1    1                                       
CONECT    9   11   11    8   10                                       
CONECT   10    9   13                                                 
CONECT   11   12    9    9   38                                       
CONECT   12   17   11   13   13                                       
CONECT   13   12   12   14   10                                       
CONECT   14   15   15   13                                            
CONECT   15   16   14   14   39                                       
CONECT   16   17   17   15                                            
CONECT   17   18   16   16   12                                       
CONECT   18   19   17   40                                            
CONECT   19   20   18   24   41                                       
CONECT   20   23   23   21   22                                       
CONECT   20   19                                                      
CONECT   21   20   42                                                 
CONECT   22   20   43                                                 
CONECT   23   20   20                                                 
CONECT   24   19   25   44   45                                       
CONECT   25   24   31   31   26                                       
CONECT   26   25   27   27   46                                       
CONECT   27   26   26   29   28                                       
CONECT   28   27                                                      
CONECT   29   30   30   27   47                                       
CONECT   30   31   29   29   48                                       
CONECT   31   25   25   30   49                                       
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   11                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
