COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.503   1.144  -0.886  1.00  0.00           C  
HETATM    2  C   UNL     1       5.745   0.591  -1.140  1.00  0.00           C  
HETATM    3  C   UNL     1       6.454  -0.014  -0.119  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.893   0.471   0.586  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.804  -0.693   0.246  1.00  0.00           O  
HETATM    6  N   UNL     1       0.219   1.222   0.716  1.00  0.00           N  
HETATM    7  N   UNL     1      -2.103   1.010   0.834  1.00  0.00           N  
HETATM    8  C   UNL     1       3.971   1.091   0.389  1.00  0.00           C  
HETATM    9  C   UNL     1       5.922  -0.066   1.156  1.00  0.00           C  
HETATM   10  C   UNL     1       4.680   0.486   1.410  1.00  0.00           C  
HETATM   11  S   UNL     1       8.036  -0.719  -0.443  1.00  0.00           S  
HETATM   12  O   UNL     1       8.253  -1.698   0.564  1.00  0.00           O  
HETATM   13  O   UNL     1       8.067  -1.013  -1.833  1.00  0.00           O  
HETATM   14  N   UNL     1       9.163   0.468  -0.191  1.00  0.00           N  
HETATM   15  C   UNL     1       1.534   0.636   0.447  1.00  0.00           C  
HETATM   16  C   UNL     1       2.618   1.694   0.666  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.263   0.260   0.607  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.263  -1.109   0.841  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.409  -1.847   0.617  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.556  -1.223   0.158  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.559   0.141  -0.076  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.417   0.884   0.152  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.809   0.817  -0.576  1.00  0.00           C  
HETATM   24  F   UNL     1      -6.568   2.185  -0.736  1.00  0.00           F  
HETATM   25  F   UNL     1      -7.180   0.262  -1.806  1.00  0.00           F  
HETATM   26  F   UNL     1      -7.842   0.631   0.350  1.00  0.00           F  
HETATM   27 CL   UNL     1      -6.995  -2.153  -0.124  1.00  0.00          Cl  
HETATM   28  H   UNL     1       3.951   1.620  -1.682  1.00  0.00           H  
HETATM   29  H   UNL     1       6.160   0.632  -2.135  1.00  0.00           H  
HETATM   30  H   UNL     1       0.147   2.150   0.988  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.170   1.917   1.170  1.00  0.00           H  
HETATM   32  H   UNL     1       6.476  -0.538   1.954  1.00  0.00           H  
HETATM   33  H   UNL     1       4.265   0.446   2.406  1.00  0.00           H  
HETATM   34  H   UNL     1      10.054   0.235   0.112  1.00  0.00           H  
HETATM   35  H   UNL     1       8.931   1.398  -0.345  1.00  0.00           H  
HETATM   36  H   UNL     1       1.703  -0.203   1.122  1.00  0.00           H  
HETATM   37  H   UNL     1       1.572   0.286  -0.585  1.00  0.00           H  
HETATM   38  H   UNL     1       2.580   2.044   1.698  1.00  0.00           H  
HETATM   39  H   UNL     1       2.449   2.533  -0.009  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.368  -1.597   1.198  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.410  -2.911   0.799  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.419   1.948  -0.030  1.00  0.00           H  
CONECT    1    8    8    2   28                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    9   11                                       
CONECT    4    7    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4   15   30                                            
CONECT    7   17    4   31                                            
CONECT    8   16    1    1   10                                       
CONECT    9   10   10    3   32                                       
CONECT   10    8    9    9   33                                       
CONECT   11    3   14   13   13                                       
CONECT   11   12   12                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   34   35                                            
CONECT   15    6   16   36   37                                       
CONECT   16   15    8   38   39                                       
CONECT   17   22   22   18    7                                       
CONECT   18   19   19   17   40                                       
CONECT   19   20   18   18   41                                       
CONECT   20   27   21   21   19                                       
CONECT   21   23   20   20   22                                       
CONECT   22   21   17   17   42                                       
CONECT   23   24   26   25   21                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   20                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
