COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.749  -1.849  -2.138  1.00  0.00           C  
HETATM    2  C   UNL     1       3.443  -2.855   1.220  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.635   2.954  -0.742  1.00  0.00           O  
HETATM    4  O   UNL     1       1.704  -3.889  -0.520  1.00  0.00           O  
HETATM    5  O   UNL     1       0.855  -2.214   1.092  1.00  0.00           O  
HETATM    6  O   UNL     1       0.982   3.756   0.452  1.00  0.00           O  
HETATM    7  F   UNL     1      -6.394  -1.026   2.150  1.00  0.00           F  
HETATM    8  C   UNL     1       5.054   0.950   1.001  1.00  0.00           C  
HETATM    9  C   UNL     1       4.693   2.262   1.296  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.353   0.733   0.953  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.925  -1.552   0.367  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.504   1.149  -0.055  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.076  -1.134  -0.641  1.00  0.00           C  
HETATM   14  C   UNL     1       4.152   0.112   0.407  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.940   0.671  -1.950  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.574  -0.277  -1.409  1.00  0.00           C  
HETATM   17  N   UNL     1       3.499   2.727   1.019  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.049   1.897  -0.875  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.564  -0.618   1.165  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.866   0.216  -0.851  1.00  0.00           C  
HETATM   21  C   UNL     1       1.290   2.470   0.147  1.00  0.00           C  
HETATM   22  C   UNL     1       0.662   0.314  -0.775  1.00  0.00           C  
HETATM   23  C   UNL     1       0.342   1.649  -0.458  1.00  0.00           C  
HETATM   24  C   UNL     1       1.893  -0.197  -0.501  1.00  0.00           C  
HETATM   25  C   UNL     1       2.873   0.615   0.112  1.00  0.00           C  
HETATM   26  C   UNL     1       2.571   1.959   0.439  1.00  0.00           C  
HETATM   27  N   UNL     1       2.186  -1.523  -0.825  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.578   0.791  -1.423  1.00  0.00           N  
HETATM   29  S   UNL     1       1.899  -2.727   0.275  1.00  0.00           S  
HETATM   30  H   UNL     1       3.837  -1.812  -2.086  1.00  0.00           H  
HETATM   31  H   UNL     1       2.433  -2.851  -2.430  1.00  0.00           H  
HETATM   32  H   UNL     1       2.395  -1.128  -2.874  1.00  0.00           H  
HETATM   33  H   UNL     1       4.261  -3.106   0.546  1.00  0.00           H  
HETATM   34  H   UNL     1       3.651  -1.901   1.706  1.00  0.00           H  
HETATM   35  H   UNL     1       3.342  -3.633   1.977  1.00  0.00           H  
HETATM   36  H   UNL     1       0.608   3.871   1.336  1.00  0.00           H  
HETATM   37  H   UNL     1       6.047   0.596   1.236  1.00  0.00           H  
HETATM   38  H   UNL     1       5.415   2.913   1.766  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.847   1.462   1.577  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.090  -2.607   0.531  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.339   2.204  -0.221  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.578  -1.862  -1.263  1.00  0.00           H  
HETATM   43  H   UNL     1       4.414  -0.908   0.170  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.953  -0.057  -2.761  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.271   1.640  -2.326  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.355  -0.600  -2.427  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.931  -1.120  -0.817  1.00  0.00           H  
CONECT    1   27   30   31   32                                       
CONECT    2   29   33   34   35                                       
CONECT    3   18   18                                                 
CONECT    4   29   29                                                 
CONECT    5   29   29                                                 
CONECT    6   21   36                                                 
CONECT    7   19                                                      
CONECT    8    9    9   14   37                                       
CONECT    9    8    8   17   38                                       
CONECT   10   12   12   19   39                                       
CONECT   11   13   19   19   40                                       
CONECT   12   10   10   20   41                                       
CONECT   13   11   20   20   42                                       
CONECT   14    8   25   25   43                                       
CONECT   15   20   28   44   45                                       
CONECT   16   22   28   46   47                                       
CONECT   17    9   26   26                                            
CONECT   18    3    3   23   28                                       
CONECT   19    7   10   11   11                                       
CONECT   20   12   13   13   15                                       
CONECT   21    6   23   23   26                                       
CONECT   22   16   23   24   24                                       
CONECT   23   18   21   21   22                                       
CONECT   24   22   22   25   27                                       
CONECT   25   14   14   24   26                                       
CONECT   26   17   17   21   25                                       
CONECT   27    1   24   29                                            
CONECT   28   15   16   18                                            
CONECT   29    2    4    4    5                                       
CONECT   29    5   27                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
