COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.911   2.595   1.999  1.00  0.00           C  
HETATM    2  C   UNL     1       6.709   2.941   0.931  1.00  0.00           C  
HETATM    3  C   UNL     1       0.412   1.858   0.051  1.00  0.00           C  
HETATM    4  C   UNL     1       4.746   2.258  -1.991  1.00  0.00           C  
HETATM    5  C   UNL     1       0.179   0.484  -0.088  1.00  0.00           C  
HETATM    6  C   UNL     1       4.943   2.290  -0.592  1.00  0.00           C  
HETATM    7  C   UNL     1       4.134   1.945   0.512  1.00  0.00           C  
HETATM    8  C   UNL     1       2.764   1.424   0.300  1.00  0.00           C  
HETATM    9  C   UNL     1       4.633   2.098   1.797  1.00  0.00           C  
HETATM   10  C   UNL     1       1.261  -0.428  -0.029  1.00  0.00           C  
HETATM   11  C   UNL     1       6.237   2.794  -0.371  1.00  0.00           C  
HETATM   12  C   UNL     1       2.561   0.057   0.167  1.00  0.00           C  
HETATM   13  C   UNL     1       1.682   2.316   0.235  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.125  -0.035  -0.287  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.225  -2.168  -0.348  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.044  -0.016   1.286  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.689  -0.121   0.582  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.145   1.261   0.329  1.00  0.00           C  
HETATM   19  C   UNL     1       0.983  -4.808   1.041  1.00  0.00           C  
HETATM   20  C   UNL     1       0.335  -5.740  -1.182  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.256   1.597   0.751  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.954   1.799  -1.767  1.00  0.00           C  
HETATM   23  C   UNL     1       2.122  -5.828   1.096  1.00  0.00           C  
HETATM   24  C   UNL     1       1.494  -6.733  -1.062  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.160   0.526   0.738  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.871   0.717  -1.664  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.140   2.581  -0.682  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.944   0.487  -0.827  1.00  0.00           C  
HETATM   29  C   UNL     1       0.687  -4.459  -0.421  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.940   1.628  -0.614  1.00  0.00           C  
HETATM   31  C   UNL     1       3.780   1.720   2.981  1.00  0.00           C  
HETATM   32  C   UNL     1       2.749  -8.090   0.502  1.00  0.00           C  
HETATM   33  N   UNL     1       5.824   2.697  -2.574  1.00  0.00           N  
HETATM   34  N   UNL     1       1.009  -1.740  -0.164  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.269  -1.346  -0.409  1.00  0.00           N  
HETATM   36  N   UNL     1       6.776   3.043  -1.607  1.00  0.00           N  
HETATM   37  N   UNL     1      -2.217   0.805  -0.352  1.00  0.00           N  
HETATM   38  N   UNL     1      -6.955   1.416  -0.284  1.00  0.00           N  
HETATM   39  N   UNL     1       1.737  -7.035   0.354  1.00  0.00           N  
HETATM   40  N   UNL     1      -0.442  -3.527  -0.483  1.00  0.00           N  
HETATM   41  O   UNL     1      -8.779   2.235   0.678  1.00  0.00           O  
HETATM   42  F   UNL     1       3.605  -0.797   0.230  1.00  0.00           F  
HETATM   43 CL   UNL     1       1.963   4.020   0.405  1.00  0.00          Cl  
HETATM   44  H   UNL     1       6.287   2.709   3.005  1.00  0.00           H  
HETATM   45  H   UNL     1       7.702   3.328   1.104  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.412   2.554   0.006  1.00  0.00           H  
HETATM   47  H   UNL     1       3.849   1.927  -2.493  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.920   0.506   2.235  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.739   0.538   0.655  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.437  -1.016   1.469  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.994  -0.675   1.213  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.812  -0.642  -0.367  1.00  0.00           H  
HETATM   53  H   UNL     1       0.091  -5.234   1.501  1.00  0.00           H  
HETATM   54  H   UNL     1       1.275  -3.907   1.579  1.00  0.00           H  
HETATM   55  H   UNL     1       0.166  -5.504  -2.233  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.567  -6.181  -0.757  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.990   1.358   1.521  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.812   2.570   0.959  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.491   2.785  -1.709  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.481   1.699  -2.716  1.00  0.00           H  
HETATM   61  H   UNL     1       3.017  -5.397   0.648  1.00  0.00           H  
HETATM   62  H   UNL     1       2.326  -6.089   2.135  1.00  0.00           H  
HETATM   63  H   UNL     1       1.241  -7.652  -1.591  1.00  0.00           H  
HETATM   64  H   UNL     1       2.392  -6.298  -1.500  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.629   0.538   1.690  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.612  -0.454   0.586  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.328  -0.266  -1.777  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.131   0.867  -2.450  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.114   3.375   0.065  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.356   2.946  -1.686  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.101   0.229  -1.874  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.761  -0.383  -0.195  1.00  0.00           H  
HETATM   73  H   UNL     1       1.566  -3.998  -0.870  1.00  0.00           H  
HETATM   74  H   UNL     1       3.197   2.584   3.299  1.00  0.00           H  
HETATM   75  H   UNL     1       3.106   0.911   2.700  1.00  0.00           H  
HETATM   76  H   UNL     1       4.420   1.392   3.800  1.00  0.00           H  
HETATM   77  H   UNL     1       2.856  -8.346   1.556  1.00  0.00           H  
HETATM   78  H   UNL     1       2.439  -8.972  -0.058  1.00  0.00           H  
HETATM   79  H   UNL     1       3.704  -7.733   0.116  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.341  -3.864  -0.619  1.00  0.00           H  
HETATM   81  H   UNL     1       7.662   3.397  -1.781  1.00  0.00           H  
CONECT    1    2    2    9   44                                       
CONECT    2   11    1    1   45                                       
CONECT    3   13    5    5   46                                       
CONECT    4   33   33    6   47                                       
CONECT    5    3    3   10   14                                       
CONECT    6   11   11    4    7                                       
CONECT    7    6    9    9    8                                       
CONECT    8    7   13   13   12                                       
CONECT    9    1    7    7   31                                       
CONECT   10   12   12    5   34                                       
CONECT   11   36    2    6    6                                       
CONECT   12    8   42   10   10                                       
CONECT   13   43    8    8    3                                       
CONECT   14    5   37   35   35                                       
CONECT   15   34   34   35   40                                       
CONECT   16   17   48   49   50                                       
CONECT   17   18   16   51   52                                       
CONECT   18   38   17   41   41                                       
CONECT   19   29   23   53   54                                       
CONECT   20   29   24   55   56                                       
CONECT   21   30   25   57   58                                       
CONECT   22   26   30   59   60                                       
CONECT   23   19   39   61   62                                       
CONECT   24   20   39   63   64                                       
CONECT   25   37   21   65   66                                       
CONECT   26   22   37   67   68                                       
CONECT   27   30   38   69   70                                       
CONECT   28   30   38   71   72                                       
CONECT   29   40   20   19   73                                       
CONECT   30   22   27   28   21                                       
CONECT   31    9   74   75   76                                       
CONECT   32   39   77   78   79                                       
CONECT   33   36    4    4                                            
CONECT   34   10   15   15                                            
CONECT   35   14   14   15                                            
CONECT   36   33   11   81                                            
CONECT   37   26   14   25                                            
CONECT   38   27   28   18                                            
CONECT   39   24   23   32                                            
CONECT   40   15   29   80                                            
CONECT   41   18   18                                                 
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   40                                                      
CONECT   81   36                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
