COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.105   0.665   1.205  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.446   0.358   1.075  1.00  0.00           C  
HETATM    3  C   UNL     1       0.729   2.559   1.052  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.893  -1.380  -0.487  1.00  0.00           C  
HETATM    5  C   UNL     1       2.161   1.804  -1.212  1.00  0.00           C  
HETATM    6  C   UNL     1       1.838   1.717   1.179  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.159  -0.047   0.491  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.553  -1.070  -0.355  1.00  0.00           C  
HETATM    9  C   UNL     1       2.557   1.339   0.034  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.843  -0.670   0.232  1.00  0.00           C  
HETATM   11  C   UNL     1       0.349   3.012  -0.193  1.00  0.00           C  
HETATM   12  C   UNL     1       1.067   2.640  -1.323  1.00  0.00           C  
HETATM   13  C   UNL     1       2.187  -1.405  -0.234  1.00  0.00           C  
HETATM   14  C   UNL     1       1.993  -2.730  -0.425  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.015  -1.265  -0.635  1.00  0.00           C  
HETATM   16  C   UNL     1       2.250   1.230   2.507  1.00  0.00           C  
HETATM   17  C   UNL     1       3.506  -0.836   0.076  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.652   0.062   0.432  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.316  -1.661  -0.992  1.00  0.00           C  
HETATM   20  C   UNL     1       4.998   1.071   0.347  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.084  -0.194   0.865  1.00  0.00           C  
HETATM   22  N   UNL     1       1.089  -0.651  -0.354  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.247  -0.655  -0.799  1.00  0.00           N  
HETATM   24  N   UNL     1       3.663   0.501   0.148  1.00  0.00           N  
HETATM   25  O   UNL     1       3.215   0.499   2.613  1.00  0.00           O  
HETATM   26  O   UNL     1       4.456  -1.572   0.269  1.00  0.00           O  
HETATM   27  O   UNL     1       1.558   1.596   3.603  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.161  -0.974   0.103  1.00  0.00           O  
HETATM   29  F   UNL     1      -0.726   3.820  -0.316  1.00  0.00           F  
HETATM   30  S   UNL     1       0.288  -2.993  -0.780  1.00  0.00           S  
HETATM   31 CL   UNL     1       0.577   3.217  -2.886  1.00  0.00          Cl  
HETATM   32 CL   UNL     1       3.215  -3.960  -0.338  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -3.796   1.465   1.861  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.184   0.918   1.630  1.00  0.00           H  
HETATM   35  H   UNL     1       0.169   2.850   1.928  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.199  -2.181  -1.144  1.00  0.00           H  
HETATM   37  H   UNL     1       2.714   1.519  -2.095  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.352   1.108   0.375  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.048  -2.595  -0.499  1.00  0.00           H  
HETATM   40  H   UNL     1       5.230   1.091   1.412  1.00  0.00           H  
HETATM   41  H   UNL     1       5.735   0.461  -0.175  1.00  0.00           H  
HETATM   42  H   UNL     1       5.021   2.087  -0.049  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.996   0.854   0.580  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.100  -0.539   0.670  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.861  -0.301   1.927  1.00  0.00           H  
HETATM   46  H   UNL     1       1.866   1.251   4.453  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.206  -0.410   1.308  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.486  -1.832  -2.055  1.00  0.00           H  
CONECT    1    7    2    2   33                                       
CONECT    2    1    1   10   34                                       
CONECT    3    6   11   11   35                                       
CONECT    4    8   10   10   36                                       
CONECT    5    9   12   12   37                                       
CONECT    6   16    9    9    3                                       
CONECT    7   18    8    8    1                                       
CONECT    8   19    7    7    4                                       
CONECT    9   24    6    6    5                                       
CONECT   10    4    4    2   28                                       
CONECT   11    3    3   12   29                                       
CONECT   12    5    5   11   31                                       
CONECT   13   17   14   14   22                                       
CONECT   14   32   13   13   30                                       
CONECT   15   22   22   30   23                                       
CONECT   16   25   25   27    6                                       
CONECT   17   26   26   24   13                                       
CONECT   18   23    7   38   47                                       
CONECT   19   23    8   39   48                                       
CONECT   20   24   40   41   42                                       
CONECT   21   28   43   44   45                                       
CONECT   22   13   15   15                                            
CONECT   23   15   18   19                                            
CONECT   24   20    9   17                                            
CONECT   25   16   16                                                 
CONECT   26   17   17                                                 
CONECT   27   16   46                                                 
CONECT   28   10   21                                                 
CONECT   29   11                                                      
CONECT   30   14   15                                                 
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   27                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
