COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -1.945  -1.697   1.688  1.00  0.00           F  
HETATM    2  C   UNL     1      -2.598  -1.309   0.571  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.092  -1.639  -0.682  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.765  -1.237  -1.826  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.936  -0.511  -1.719  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.437  -0.184  -0.473  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.714   0.609  -0.361  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.403   2.096  -0.087  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.502   2.562   0.890  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.385   1.317   1.124  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.497   0.166   0.822  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.773  -0.586   0.671  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.905  -2.375  -0.788  1.00  0.00           N  
HETATM   14  C   UNL     1       0.322  -1.830  -0.858  1.00  0.00           C  
HETATM   15  O   UNL     1       0.556  -0.640  -0.831  1.00  0.00           O  
HETATM   16  C   UNL     1       1.368  -2.916  -0.974  1.00  0.00           C  
HETATM   17  C   UNL     1       0.566  -4.173  -1.382  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.840  -3.840  -0.830  1.00  0.00           C  
HETATM   19  N   UNL     1       2.033  -3.128   0.314  1.00  0.00           N  
HETATM   20  S   UNL     1       3.478  -2.385   0.632  1.00  0.00           S  
HETATM   21  O   UNL     1       3.839  -2.758   1.955  1.00  0.00           O  
HETATM   22  O   UNL     1       4.308  -2.622  -0.496  1.00  0.00           O  
HETATM   23  C   UNL     1       3.174  -0.649   0.671  1.00  0.00           C  
HETATM   24  C   UNL     1       2.828  -0.040   1.875  1.00  0.00           C  
HETATM   25  C   UNL     1       2.587   1.298   1.939  1.00  0.00           C  
HETATM   26  C   UNL     1       2.688   2.080   0.776  1.00  0.00           C  
HETATM   27  C   UNL     1       3.041   1.460  -0.449  1.00  0.00           C  
HETATM   28  C   UNL     1       3.287   0.076  -0.475  1.00  0.00           C  
HETATM   29  C   UNL     1       2.446   3.464   0.803  1.00  0.00           C  
HETATM   30  C   UNL     1       2.553   4.189  -0.345  1.00  0.00           C  
HETATM   31 CL   UNL     1       2.253   5.899  -0.308  1.00  0.00          Cl  
HETATM   32  C   UNL     1       2.901   3.579  -1.550  1.00  0.00           C  
HETATM   33  C   UNL     1       3.142   2.241  -1.613  1.00  0.00           C  
HETATM   34  H   UNL     1      -4.169  -0.333   1.643  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.375  -1.492  -2.801  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.460  -0.198  -2.610  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.306   0.505  -1.270  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.420   2.198   0.373  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.451   2.669  -1.013  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.035  -0.661   0.610  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.059   2.893   1.829  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.090   3.364   0.443  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.720   1.278   2.160  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.240   1.325   0.447  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.962  -4.253   0.172  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.608  -4.233  -1.496  1.00  0.00           H  
HETATM   47  H   UNL     1       2.097  -2.662  -1.744  1.00  0.00           H  
HETATM   48  H   UNL     1       0.546  -4.288  -2.466  1.00  0.00           H  
HETATM   49  H   UNL     1       0.969  -5.066  -0.904  1.00  0.00           H  
HETATM   50  H   UNL     1       1.627  -3.704   0.980  1.00  0.00           H  
HETATM   51  H   UNL     1       2.750  -0.638   2.771  1.00  0.00           H  
HETATM   52  H   UNL     1       3.560  -0.409  -1.400  1.00  0.00           H  
HETATM   53  H   UNL     1       2.319   1.757   2.880  1.00  0.00           H  
HETATM   54  H   UNL     1       2.176   3.950   1.729  1.00  0.00           H  
HETATM   55  H   UNL     1       3.410   1.782  -2.553  1.00  0.00           H  
HETATM   56  H   UNL     1       2.979   4.176  -2.446  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3   12   12                                       
CONECT    3    2    4    4   13                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4    6    6   36                                       
CONECT    6    5    5    7   12                                       
CONECT    7    6    8   11   37                                       
CONECT    8    7    9   38   39                                       
CONECT    9    8   10   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11    7   10   40                                            
CONECT   12    2    2    6   34                                       
CONECT   13    3   14   18                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   19   47                                       
CONECT   17   16   18   48   49                                       
CONECT   18   13   17   45   46                                       
CONECT   19   16   20   50                                            
CONECT   20   19   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24   28   28                                       
CONECT   24   23   25   25   51                                       
CONECT   25   24   24   26   53                                       
CONECT   26   25   27   27   29                                       
CONECT   27   26   26   28   33                                       
CONECT   28   23   23   27   52                                       
CONECT   29   26   30   30   54                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30                                                      
CONECT   32   30   33   33   56                                       
CONECT   33   27   32   32   55                                       
CONECT   34   12                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   24                                                      
CONECT   52   28                                                      
CONECT   53   25                                                      
CONECT   54   29                                                      
CONECT   55   33                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
