COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.157  -0.437   2.738  1.00  0.00           C  
HETATM    2  C   UNL     1       0.069  -1.214   1.749  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.082  -1.399   1.067  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.699  -0.031   0.130  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.700   4.521  -0.948  1.00  0.00           C  
HETATM    6  F   UNL     1      -5.254  -0.785   1.780  1.00  0.00           F  
HETATM    7  C   UNL     1      -4.727   0.217   1.044  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.191   1.512   1.176  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.652   2.472   0.438  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.680   2.207  -0.419  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.155   3.217  -1.154  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.206   0.982  -0.576  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.197  -1.313  -0.034  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.120  -1.335  -1.049  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.097  -2.687  -1.766  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.468  -2.955  -2.391  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.032  -2.664  -2.864  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.537  -1.786   1.204  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.831  -1.128  -0.286  1.00  0.00           C  
HETATM   20  N   UNL     1       1.017  -0.833   0.862  1.00  0.00           N  
HETATM   21  N   UNL     1       0.427  -0.793  -0.408  1.00  0.00           N  
HETATM   22  C   UNL     1       2.355  -0.539   1.160  1.00  0.00           C  
HETATM   23  C   UNL     1       2.839  -0.727   2.448  1.00  0.00           C  
HETATM   24  C   UNL     1       4.995   0.045   1.748  1.00  0.00           C  
HETATM   25  C   UNL     1       4.514   0.239   0.467  1.00  0.00           C  
HETATM   26  C   UNL     1       3.196  -0.049   0.170  1.00  0.00           C  
HETATM   27  S   UNL     1       5.584   0.855  -0.790  1.00  0.00           S  
HETATM   28  O   UNL     1       4.711   1.495  -1.711  1.00  0.00           O  
HETATM   29  O   UNL     1       6.570   1.594  -0.081  1.00  0.00           O  
HETATM   30  C   UNL     1       6.314  -0.631  -1.533  1.00  0.00           C  
HETATM   31  H   UNL     1       4.534  -0.583   3.739  1.00  0.00           H  
HETATM   32  H   UNL     1       0.207  -1.342   2.813  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.765   4.511  -1.181  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.559   4.813   0.093  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.192   5.234  -1.597  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.985   1.740   1.873  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.265  -0.530  -1.770  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.864  -3.474  -1.049  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.701  -2.168  -3.108  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.452  -3.918  -2.901  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.227  -2.971  -1.609  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.045  -2.563  -2.411  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.077  -3.593  -3.433  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.214  -1.821  -3.530  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.632  -2.869   1.290  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.976  -1.298   2.074  1.00  0.00           H  
HETATM   47  H   UNL     1       2.185  -1.101   3.222  1.00  0.00           H  
HETATM   48  H   UNL     1       6.025   0.271   1.977  1.00  0.00           H  
HETATM   49  H   UNL     1       2.822   0.103  -0.831  1.00  0.00           H  
HETATM   50  H   UNL     1       6.859  -1.187  -0.770  1.00  0.00           H  
HETATM   51  H   UNL     1       5.522  -1.257  -1.943  1.00  0.00           H  
HETATM   52  H   UNL     1       6.998  -0.340  -2.330  1.00  0.00           H  
CONECT    1   24   23   23   31                                       
CONECT    2   20    3    3   32                                       
CONECT    3    2    2   19   18                                       
CONECT    4   13    7    7   12                                       
CONECT    5   11   33   34   35                                       
CONECT    6    7                                                      
CONECT    7    6    4    4    8                                       
CONECT    8    7    9    9   36                                       
CONECT    9    8    8   10                                            
CONECT   10   12   12    9   11                                       
CONECT   11   10    5                                                 
CONECT   12    4   10   10                                            
CONECT   13   18   14    4                                            
CONECT   14   19   15   13   37                                       
CONECT   15   17   16   14   38                                       
CONECT   16   15   39   40   41                                       
CONECT   17   15   42   43   44                                       
CONECT   18    3   13   45   46                                       
CONECT   19   21   21    3   14                                       
CONECT   20   22    2   21                                            
CONECT   21   20   19   19                                            
CONECT   22   26   26   23   20                                       
CONECT   23    1    1   22   47                                       
CONECT   24   25   25    1   48                                       
CONECT   25   27   24   24   26                                       
CONECT   26   25   22   22   49                                       
CONECT   27   28   28   30   29                                       
CONECT   27   29   25                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   50   51   52                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
