COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.003   1.409  -0.148  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.739  -0.253  -0.272  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.898  -0.533   1.246  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.763  -0.399  -1.618  1.00  0.00           C  
HETATM    5  C   UNL     1       4.107  -0.996  -0.233  1.00  0.00           C  
HETATM    6  C   UNL     1       6.142   0.241  -0.484  1.00  0.00           C  
HETATM    7  C   UNL     1       4.038   1.385  -0.560  1.00  0.00           C  
HETATM    8  C   UNL     1       3.377   0.178  -0.367  1.00  0.00           C  
HETATM    9  C   UNL     1       1.523  -0.477   0.941  1.00  0.00           C  
HETATM   10  C   UNL     1       0.002  -0.659   0.888  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.109   1.390  -0.582  1.00  0.00           C  
HETATM   12  C   UNL     1       1.417   1.491  -0.472  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.355   0.665   0.821  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.187   0.959  -0.691  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.078  -0.993   0.696  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.877  -2.248   0.970  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.083  -2.154   0.021  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.003  -1.174  -1.983  1.00  0.00           C  
HETATM   19  C   UNL     1       5.487  -0.961  -0.292  1.00  0.00           C  
HETATM   20  C   UNL     1       5.418   1.413  -0.618  1.00  0.00           C  
HETATM   21  C   UNL     1       6.279  -2.235  -0.147  1.00  0.00           C  
HETATM   22  F   UNL     1       5.579  -3.129   0.671  1.00  0.00           F  
HETATM   23  F   UNL     1       6.473  -2.810  -1.407  1.00  0.00           F  
HETATM   24  F   UNL     1       7.521  -1.949   0.431  1.00  0.00           F  
HETATM   25  N   UNL     1       1.982   0.145  -0.308  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.613   0.640   0.579  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.915  -0.883  -0.688  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.828   2.653   1.330  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.718   0.624   2.785  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.528   0.659  -2.161  1.00  0.00           O  
HETATM   31  S   UNL     1      -1.841   1.244   1.513  1.00  0.00           S  
HETATM   32 CL   UNL     1       6.245   2.920  -0.859  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -3.582   2.348  -0.477  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.390  -1.117   1.999  1.00  0.00           H  
HETATM   35  H   UNL     1       3.597  -1.935  -0.078  1.00  0.00           H  
HETATM   36  H   UNL     1       7.221   0.265  -0.530  1.00  0.00           H  
HETATM   37  H   UNL     1       3.473   2.299  -0.665  1.00  0.00           H  
HETATM   38  H   UNL     1       1.784   0.162   1.784  1.00  0.00           H  
HETATM   39  H   UNL     1       2.001  -1.450   1.060  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.254  -1.380   0.112  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.357  -1.017   1.853  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.543   2.390  -0.589  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.377   0.869  -1.502  1.00  0.00           H  
HETATM   44  H   UNL     1       1.817   1.946  -1.378  1.00  0.00           H  
HETATM   45  H   UNL     1       1.679   2.103   0.391  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.691   1.547  -1.444  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.284  -3.134   0.744  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.085  -2.996  -0.671  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.560  -0.630  -2.746  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.719  -2.153  -2.369  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.627  -1.300  -1.098  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.211  -2.267   2.008  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.012  -2.130   0.591  1.00  0.00           H  
CONECT    1   13   13   14   33                                       
CONECT    2   15   27   14   14                                       
CONECT    3   15   15   13   34                                       
CONECT    4   27   18   30   30                                       
CONECT    5    8    8   19   35                                       
CONECT    6   19   19   20   36                                       
CONECT    7    8   20   20   37                                       
CONECT    8   25    5    5    7                                       
CONECT    9   10   25   38   39                                       
CONECT   10   26    9   40   41                                       
CONECT   11   26   12   42   43                                       
CONECT   12   11   25   44   45                                       
CONECT   13    3   31    1    1                                       
CONECT   14    2    2    1   46                                       
CONECT   15   16    3    3    2                                       
CONECT   16   15   17   47   52                                       
CONECT   17   16   27   48   53                                       
CONECT   18    4   49   50   51                                       
CONECT   19    5   21    6    6                                       
CONECT   20    7    7    6   32                                       
CONECT   21   22   24   19   23                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   12    9    8                                            
CONECT   26   31   11   10                                            
CONECT   27   17    2    4                                            
CONECT   28   31   31                                                 
CONECT   29   31   31                                                 
CONECT   30    4    4                                                 
CONECT   31   28   28   29   29                                       
CONECT   31   13   26                                                 
CONECT   32   20                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
