COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.272   2.150  -1.357  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.101   3.243  -0.601  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.896   3.131   0.764  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.164   1.908   1.349  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.467   4.139   1.469  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.131   4.568  -1.224  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.406   2.299  -2.553  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.300   0.758  -0.813  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.745   0.699   0.625  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.503  -0.513   1.219  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.845  -0.470   0.602  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.753   0.273  -0.661  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.249   0.523   0.652  1.00  0.00           C  
HETATM   14  C   UNL     1       0.561   0.977   1.612  1.00  0.00           C  
HETATM   15  C   UNL     1       1.900   0.693   1.431  1.00  0.00           C  
HETATM   16  C   UNL     1       2.181  -0.001   0.310  1.00  0.00           C  
HETATM   17  S   UNL     1       0.693  -0.319  -0.572  1.00  0.00           S  
HETATM   18  C   UNL     1       3.532  -0.429  -0.112  1.00  0.00           C  
HETATM   19  C   UNL     1       4.639  -0.117   0.672  1.00  0.00           C  
HETATM   20  C   UNL     1       5.910  -0.524   0.267  1.00  0.00           C  
HETATM   21  C   UNL     1       6.064  -1.241  -0.924  1.00  0.00           C  
HETATM   22  C   UNL     1       4.958  -1.546  -1.698  1.00  0.00           C  
HETATM   23  C   UNL     1       3.698  -1.151  -1.297  1.00  0.00           C  
HETATM   24  C   UNL     1       7.054  -0.207   1.068  1.00  0.00           C  
HETATM   25  N   UNL     1       7.962   0.044   1.703  1.00  0.00           N  
HETATM   26  F   UNL     1       7.294  -1.636  -1.320  1.00  0.00           F  
HETATM   27  C   UNL     1      -4.343  -1.758   0.393  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.874  -2.817   1.160  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.369  -4.090   0.951  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.328  -4.310  -0.020  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.796  -3.258  -0.785  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.311  -1.982  -0.578  1.00  0.00           C  
HETATM   33  H   UNL     1      -1.285   4.988   1.038  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.153   4.947  -1.222  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.491   5.248  -0.663  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.772   4.495  -2.251  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.746   0.087  -1.469  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.996  -1.441   0.954  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.582  -0.419   2.302  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.429   1.129  -0.637  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.014  -0.383  -1.492  1.00  0.00           H  
HETATM   42  H   UNL     1       0.196   1.527   2.467  1.00  0.00           H  
HETATM   43  H   UNL     1       2.661   1.002   2.131  1.00  0.00           H  
HETATM   44  H   UNL     1       4.514   0.437   1.591  1.00  0.00           H  
HETATM   45  H   UNL     1       5.080  -2.104  -2.615  1.00  0.00           H  
HETATM   46  H   UNL     1       2.839  -1.393  -1.905  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.125  -2.646   1.918  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.005  -4.914   1.547  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.712  -5.307  -0.181  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.546  -3.433  -1.543  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.680  -1.159  -1.173  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.612   1.849   2.208  1.00  0.00           H  
CONECT    1    8    7    7    2                                       
CONECT    2    1    3    6                                            
CONECT    3    4    2    5    5                                       
CONECT    4    9    3   52                                            
CONECT    5    3    3   33                                            
CONECT    6    2   34   35   36                                       
CONECT    7    1    1                                                 
CONECT    8    9   12    1   37                                       
CONECT    9   13   10    8    4                                       
CONECT   10   11    9   38   39                                       
CONECT   11   10   27   12                                            
CONECT   12   11    8   40   41                                       
CONECT   13   14   14   17    9                                       
CONECT   14   15   13   13   42                                       
CONECT   15   14   16   16   43                                       
CONECT   16   15   15   18   17                                       
CONECT   17   16   13                                                 
CONECT   18   23   16   19   19                                       
CONECT   19   18   18   20   44                                       
CONECT   20   21   21   19   24                                       
CONECT   21   22   26   20   20                                       
CONECT   22   23   23   21   45                                       
CONECT   23   22   22   18   46                                       
CONECT   24   20   25   25   25                                       
CONECT   25   24   24   24                                            
CONECT   26   21                                                      
CONECT   27   28   11   32   32                                       
CONECT   28   29   29   27   47                                       
CONECT   29   28   28   30   48                                       
CONECT   30   29   31   31   49                                       
CONECT   31   30   30   32   50                                       
CONECT   32   27   27   31   51                                       
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52    4                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
