COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.272   1.441  -0.105  1.00  0.00           C  
HETATM    2  C   UNL     1       2.289   0.875   0.217  1.00  0.00           C  
HETATM    3  C   UNL     1       3.562   0.112   0.242  1.00  0.00           C  
HETATM    4  C   UNL     1       3.613  -1.142   0.848  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.182   1.470  -0.503  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.279   2.303   0.449  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.200  -5.836   0.267  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.368  -4.868  -0.376  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.579  -3.655  -1.183  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.507  -2.638  -0.449  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.359  -1.244  -1.151  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.924  -0.083  -0.294  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.564   1.516   0.444  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.999   2.881  -0.955  1.00  0.00           C  
HETATM   15  C   UNL     1       4.800  -1.847   0.869  1.00  0.00           C  
HETATM   16  C   UNL     1       5.936  -1.312   0.290  1.00  0.00           C  
HETATM   17  C   UNL     1       7.228  -2.087   0.317  1.00  0.00           C  
HETATM   18  C   UNL     1       5.890  -0.068  -0.313  1.00  0.00           C  
HETATM   19  C   UNL     1       4.708   0.643  -0.345  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.084   1.375   0.747  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.575   1.778   1.279  1.00  0.00           C  
HETATM   22  F   UNL     1       7.028  -3.305   0.975  1.00  0.00           F  
HETATM   23  F   UNL     1       7.653  -2.329  -0.994  1.00  0.00           F  
HETATM   24  F   UNL     1       8.203  -1.346   0.994  1.00  0.00           F  
HETATM   25  N   UNL     1      -5.969  -2.504  -0.504  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.785   0.515  -0.384  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.526   2.779  -1.115  1.00  0.00           N  
HETATM   28  N   UNL     1       1.112   0.455  -0.299  1.00  0.00           N  
HETATM   29  N   UNL     1       4.660   1.972  -0.996  1.00  0.00           N  
HETATM   30  N   UNL     1       2.098   2.080   0.685  1.00  0.00           N  
HETATM   31  O   UNL     1      -3.345   3.354   1.415  1.00  0.00           O  
HETATM   32  O   UNL     1       5.686   2.490  -1.399  1.00  0.00           O  
HETATM   33  O   UNL     1       3.594   2.546  -1.128  1.00  0.00           O  
HETATM   34  O   UNL     1       0.947   2.419   0.506  1.00  0.00           O  
HETATM   35  S   UNL     1      -6.872   0.636   0.934  1.00  0.00           S  
HETATM   36  H   UNL     1       2.727  -1.560   1.301  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.402   0.657  -1.195  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.049  -6.701   0.842  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.118  -3.785  -2.162  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.648  -3.481  -1.305  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.087  -1.808   0.119  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.247  -3.579   0.035  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.104  -2.626  -1.462  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.441  -1.219  -1.275  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.880  -1.174  -2.128  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.506   2.289  -1.718  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.318   3.921  -1.009  1.00  0.00           H  
HETATM   48  H   UNL     1       4.840  -2.819   1.339  1.00  0.00           H  
HETATM   49  H   UNL     1       6.780   0.345  -0.764  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.426   0.350   0.889  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.546   1.722   1.629  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.595   2.554   2.029  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.265   2.803  -2.089  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.065   3.982   1.266  1.00  0.00           H  
CONECT    1   28   28    5   34                                       
CONECT    2   28    3   30   30                                       
CONECT    3    4    4    2   19                                       
CONECT    4    3    3   15   36                                       
CONECT    5   27    1   20   37                                       
CONECT    6   31   14   13   20                                       
CONECT    7    8    8    8   38                                       
CONECT    8    7    7    7    9                                       
CONECT    9    8   25   39   40                                       
CONECT   10   25   41   42   43                                       
CONECT   11   25   12   44   45                                       
CONECT   12   11   26   26   35                                       
CONECT   13   26    6   21   21                                       
CONECT   14    6   27   46   47                                       
CONECT   15    4   16   16   48                                       
CONECT   16   15   15   17   18                                       
CONECT   17   22   23   24   16                                       
CONECT   18   16   19   19   49                                       
CONECT   19   18   18   29    3                                       
CONECT   20    5    6   50   51                                       
CONECT   21   13   13   35   52                                       
CONECT   22   17                                                      
CONECT   23   17                                                      
CONECT   24   17                                                      
CONECT   25    9   10   11                                            
CONECT   26   12   12   13                                            
CONECT   27   14    5   53                                            
CONECT   28    1    1    2                                            
CONECT   29   19   32   32   33                                       
CONECT   29   33                                                      
CONECT   30    2    2   34                                            
CONECT   31    6   54                                                 
CONECT   32   29   29                                                 
CONECT   33   29   29                                                 
CONECT   34   30    1                                                 
CONECT   35   21   12                                                 
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   27                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
