COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -7.285  -4.466  -0.455  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -6.058  -3.274  -0.159  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.940  -3.216  -0.971  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.963  -2.266  -0.735  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.201  -2.378   0.885  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.224  -1.429   1.121  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.104  -1.375   0.313  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.038  -0.341   0.570  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.360   0.930  -0.218  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.278   1.980   0.044  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.001   1.471  -0.375  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.601   3.256  -0.737  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.563   4.258  -0.484  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.428   4.432  -1.194  1.00  0.00           C  
HETATM   15  N   UNL     1       0.246   5.420  -0.670  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.429   5.907   0.382  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.567   5.198   0.512  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.222   2.274   1.446  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.889   1.959   1.896  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.058   2.000   0.589  1.00  0.00           C  
HETATM   21  C   UNL     1       1.176   1.102   0.697  1.00  0.00           C  
HETATM   22  S   UNL     1       2.098   1.152  -0.865  1.00  0.00           S  
HETATM   23  C   UNL     1       3.460   0.079  -0.556  1.00  0.00           C  
HETATM   24  C   UNL     1       4.409  -0.138  -1.552  1.00  0.00           C  
HETATM   25  N   UNL     1       3.576  -0.512   0.624  1.00  0.00           N  
HETATM   26  C   UNL     1       4.582  -1.322   0.896  1.00  0.00           C  
HETATM   27  C   UNL     1       5.555  -1.585  -0.047  1.00  0.00           C  
HETATM   28  C   UNL     1       5.473  -0.982  -1.296  1.00  0.00           C  
HETATM   29  C   UNL     1       6.697  -2.513   0.277  1.00  0.00           C  
HETATM   30  F   UNL     1       6.686  -3.594  -0.610  1.00  0.00           F  
HETATM   31  F   UNL     1       7.908  -1.821   0.155  1.00  0.00           F  
HETATM   32  F   UNL     1       6.559  -2.983   1.587  1.00  0.00           F  
HETATM   33  H   UNL     1      -4.829  -3.912  -1.789  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.090  -2.221  -1.369  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.077  -2.420   1.517  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.336  -0.730   1.936  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.006  -0.110   1.635  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.070  -0.730   0.253  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.393   0.699  -1.283  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.328   1.319   0.099  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.637   3.030  -1.803  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.567   3.644  -0.415  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.126   3.850  -2.052  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.117   6.726   1.012  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.333   5.341   1.259  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.533   2.709   2.602  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.859   0.966   2.344  1.00  0.00           H  
HETATM   48  H   UNL     1       0.225   3.022   0.338  1.00  0.00           H  
HETATM   49  H   UNL     1       1.814   1.457   1.506  1.00  0.00           H  
HETATM   50  H   UNL     1       0.864   0.078   0.902  1.00  0.00           H  
HETATM   51  H   UNL     1       4.314   0.348  -2.512  1.00  0.00           H  
HETATM   52  H   UNL     1       4.644  -1.786   1.870  1.00  0.00           H  
HETATM   53  H   UNL     1       6.221  -1.172  -2.050  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    7    7   34                                       
CONECT    5    2    6    6   35                                       
CONECT    6    5    5    7   36                                       
CONECT    7    4    4    6    8                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   39   40                                       
CONECT   10    9   11   18   12                                       
CONECT   11   10   20                                                 
CONECT   12   10   13   41   42                                       
CONECT   13   12   14   17                                            
CONECT   14   13   15   15   43                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   17   44                                       
CONECT   17   13   16   16   45                                       
CONECT   18   10   19                                                 
CONECT   19   18   20   46   47                                       
CONECT   20   11   19   21   48                                       
CONECT   21   20   22   49   50                                       
CONECT   22   21   23                                                 
CONECT   23   22   25   25   24                                       
CONECT   24   23   28   28   51                                       
CONECT   25   23   23   26                                            
CONECT   26   25   27   27   52                                       
CONECT   27   26   26   29   28                                       
CONECT   28   24   24   27   53                                       
CONECT   29   27   31   30   32                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
