COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.131  -1.661   0.474  1.00  0.00           C  
HETATM    2  C   UNL     1       3.137  -0.615   0.396  1.00  0.00           C  
HETATM    3  C   UNL     1       0.479   0.656   0.664  1.00  0.00           C  
HETATM    4  C   UNL     1       2.434   1.712  -0.151  1.00  0.00           C  
HETATM    5  C   UNL     1       3.458   0.672  -0.084  1.00  0.00           C  
HETATM    6  C   UNL     1       4.776   0.909  -0.486  1.00  0.00           C  
HETATM    7  C   UNL     1       5.732  -0.087  -0.415  1.00  0.00           C  
HETATM    8  C   UNL     1       5.449  -1.350   0.050  1.00  0.00           C  
HETATM    9  C   UNL     1       7.137   0.223  -0.862  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.559  -0.442   1.512  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.771  -0.741   0.621  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.820   1.677  -0.124  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.600   1.977   0.769  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.981   0.102  -0.735  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.494   0.140  -0.513  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.209  -0.271  -1.802  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.786  -1.689  -2.190  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.272  -1.727  -2.412  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.558  -1.316  -1.123  1.00  0.00           C  
HETATM   20  F   UNL     1       7.735  -0.940  -1.360  1.00  0.00           F  
HETATM   21  F   UNL     1       7.103   1.196  -1.866  1.00  0.00           F  
HETATM   22  F   UNL     1       7.878   0.699   0.225  1.00  0.00           F  
HETATM   23  N   UNL     1       3.823  -2.872   0.933  1.00  0.00           N1+
HETATM   24  N   UNL     1       1.162   1.687   0.173  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.852   0.728   0.972  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.523   0.506   0.417  1.00  0.00           N  
HETATM   27  O   UNL     1       2.687  -3.114   1.296  1.00  0.00           O  
HETATM   28  O   UNL     1       2.826   2.783  -0.581  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.358   1.964   1.071  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.311  -0.400   1.798  1.00  0.00           O  
HETATM   31  S   UNL     1       1.446  -0.831   0.885  1.00  0.00           S  
HETATM   32  S   UNL     1      -5.134   0.589   0.793  1.00  0.00           S  
HETATM   33  H   UNL     1       5.052   1.885  -0.858  1.00  0.00           H  
HETATM   34  H   UNL     1       6.225  -2.101   0.090  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.895  -0.230   2.527  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.890  -1.302   1.520  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.432  -1.125  -0.341  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.408  -1.480   1.106  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.489   2.537  -0.130  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.486   1.463  -1.140  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.963   2.714   0.282  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.938   2.360   1.732  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.714   0.793  -1.535  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.762  -0.551   0.286  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.796   1.150  -0.237  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.287  -0.244  -1.645  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.941   0.419  -2.602  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.053  -2.380  -1.391  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.295  -1.982  -3.109  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.971  -2.737  -2.688  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.005  -1.037  -3.212  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.480  -1.343  -1.281  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.825  -2.007  -0.323  1.00  0.00           H  
HETATM   54  H   UNL     1       4.504  -3.561   0.978  1.00  0.00           H  
CONECT    1   23    2    2    8                                       
CONECT    2   31    1    1    5                                       
CONECT    3   31   25   24   24                                       
CONECT    4   24    5   28   28                                       
CONECT    5    2    4    6    6                                       
CONECT    6    5    5    7   33                                       
CONECT    7    8    8    6    9                                       
CONECT    8    1    7    7   34                                       
CONECT    9    7   20   22   21                                       
CONECT   10   11   25   35   36                                       
CONECT   11   26   10   37   38                                       
CONECT   12   13   26   39   40                                       
CONECT   13   12   25   41   42                                       
CONECT   14   15   19   32   43                                       
CONECT   15   16   14   44   45                                       
CONECT   16   17   15   46   47                                       
CONECT   17   16   18   48   49                                       
CONECT   18   17   19   50   51                                       
CONECT   19   18   14   52   53                                       
CONECT   20    9                                                      
CONECT   21    9                                                      
CONECT   22    9                                                      
CONECT   23   27   27    1   54                                       
CONECT   24    3    3    4                                            
CONECT   25   13   10    3                                            
CONECT   26   12   32   11                                            
CONECT   27   23   23                                                 
CONECT   28    4    4                                                 
CONECT   29   32   32                                                 
CONECT   30   32   32                                                 
CONECT   31    3    2                                                 
CONECT   32   14   30   30   26                                       
CONECT   32   29   29                                                 
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   23                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
