COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.902  -2.139   0.890  1.00  0.00           C  
HETATM    2  C   UNL     1       3.788  -1.139   0.719  1.00  0.00           C  
HETATM    3  C   UNL     1       4.089   0.220   0.632  1.00  0.00           C  
HETATM    4  C   UNL     1       5.806   1.365  -0.518  1.00  0.00           C  
HETATM    5  C   UNL     1       7.318   1.599  -0.513  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.674   0.114   0.257  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.133   0.023   0.148  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.738  -1.180   0.198  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.203  -1.272   0.087  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.968  -0.113  -0.075  1.00  0.00           C  
HETATM   11  N   UNL     1       5.417   0.649   0.704  1.00  0.00           N  
HETATM   12  O   UNL     1       7.995   0.342  -0.580  1.00  0.00           O  
HETATM   13  C   UNL     1       9.420   0.449  -0.581  1.00  0.00           C  
HETATM   14  C   UNL     1      10.035  -0.950  -0.655  1.00  0.00           C  
HETATM   15  C   UNL     1       5.638   1.481   1.894  1.00  0.00           C  
HETATM   16  C   UNL     1       3.070   1.142   0.475  1.00  0.00           C  
HETATM   17  C   UNL     1       1.747   0.713   0.404  1.00  0.00           C  
HETATM   18  C   UNL     1       1.439  -0.651   0.490  1.00  0.00           C  
HETATM   19  N   UNL     1       0.121  -0.896   0.403  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.340  -0.204  -0.178  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.962  -1.446  -0.120  1.00  0.00           C  
HETATM   22  O   UNL     1      -8.313  -1.532  -0.222  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.205  -2.600   0.041  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.833  -2.519   0.139  1.00  0.00           C  
HETATM   25  S   UNL     1       0.244   1.613   0.209  1.00  0.00           S  
HETATM   26  C   UNL     1       2.500  -1.571   0.644  1.00  0.00           C  
HETATM   27 BR   UNL     1      -7.377   1.362  -0.398  1.00  0.00          Br  
HETATM   28  F   UNL     1       9.708  -1.540  -1.880  1.00  0.00           F  
HETATM   29  H   UNL     1       5.088  -2.297   1.952  1.00  0.00           H  
HETATM   30  H   UNL     1       4.616  -3.084   0.426  1.00  0.00           H  
HETATM   31  H   UNL     1       5.806  -1.760   0.415  1.00  0.00           H  
HETATM   32  H   UNL     1       5.290   2.324  -0.557  1.00  0.00           H  
HETATM   33  H   UNL     1       5.533   0.770  -1.390  1.00  0.00           H  
HETATM   34  H   UNL     1       7.594   2.207  -1.375  1.00  0.00           H  
HETATM   35  H   UNL     1       7.602   2.117   0.403  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.723   0.919   0.027  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.148  -2.076   0.319  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.486   0.853  -0.119  1.00  0.00           H  
HETATM   39  H   UNL     1       9.740   1.032  -1.444  1.00  0.00           H  
HETATM   40  H   UNL     1       9.748   0.942   0.333  1.00  0.00           H  
HETATM   41  H   UNL     1      11.119  -0.875  -0.566  1.00  0.00           H  
HETATM   42  H   UNL     1       9.646  -1.562   0.159  1.00  0.00           H  
HETATM   43  H   UNL     1       5.042   2.390   1.818  1.00  0.00           H  
HETATM   44  H   UNL     1       5.342   0.927   2.785  1.00  0.00           H  
HETATM   45  H   UNL     1       6.694   1.743   1.964  1.00  0.00           H  
HETATM   46  H   UNL     1       3.300   2.195   0.409  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.634  -1.633  -1.128  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.693  -3.563   0.085  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.246  -3.418   0.260  1.00  0.00           H  
HETATM   50  H   UNL     1       2.286  -2.628   0.709  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3    3   26                                       
CONECT    3   11    2    2   16                                       
CONECT    4    5   11   32   33                                       
CONECT    5   12    4   34   35                                       
CONECT    6   19   19   25    7                                       
CONECT    7    6    8    8   36                                       
CONECT    8    7    7    9   37                                       
CONECT    9    8   24   10   10                                       
CONECT   10    9    9   20   38                                       
CONECT   11   15    4    3                                            
CONECT   12   13    5                                                 
CONECT   13   14   12   39   40                                       
CONECT   14   13   28   41   42                                       
CONECT   15   11   43   44   45                                       
CONECT   16    3   17   17   46                                       
CONECT   17   16   16   18   25                                       
CONECT   18   26   26   17   19                                       
CONECT   19   18    6    6                                            
CONECT   20   10   21   21   27                                       
CONECT   21   23   20   20   22                                       
CONECT   22   21   47                                                 
CONECT   23   24   24   21   48                                       
CONECT   24    9   23   23   49                                       
CONECT   25   17    6                                                 
CONECT   26    2   18   18   50                                       
CONECT   27   20                                                      
CONECT   28   14                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
