COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.414   0.273   0.425  1.00  0.00           C  
HETATM    2  C   UNL     1       8.667  -2.158   0.898  1.00  0.00           C  
HETATM    3  C   UNL     1       9.471  -2.940   0.553  1.00  0.00           C  
HETATM    4  C   UNL     1       8.425   1.575  -0.863  1.00  0.00           C  
HETATM    5  C   UNL     1       6.977   1.889  -0.428  1.00  0.00           C  
HETATM    6  N   UNL     1       5.730   0.022   0.571  1.00  0.00           N  
HETATM    7  C   UNL     1       6.767   1.027   0.836  1.00  0.00           C  
HETATM    8  C   UNL     1       8.112   0.267   1.001  1.00  0.00           C  
HETATM    9  F   UNL     1      -3.825   2.990   0.846  1.00  0.00           F  
HETATM   10  C   UNL     1      -4.674   2.000   0.493  1.00  0.00           C  
HETATM   11  S   UNL     1      -6.414   2.162   0.269  1.00  0.00           S  
HETATM   12  C   UNL     1      -6.526   0.453  -0.138  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.697  -0.216  -0.460  1.00  0.00           N  
HETATM   14  C   UNL     1      -8.850   0.694  -0.426  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.106  -0.063  -0.864  1.00  0.00           C  
HETATM   16  N   UNL     1     -10.319  -1.211   0.029  1.00  0.00           N  
HETATM   17  C   UNL     1     -11.559  -1.921  -0.313  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.166  -2.121  -0.005  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.909  -1.364   0.433  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.349  -0.084  -0.084  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.334   0.718   0.245  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.939   0.234   0.342  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.883   1.068  -0.034  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.595   0.622   0.056  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.679  -1.054   0.817  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.392  -1.501   0.907  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.334  -0.670   0.525  1.00  0.00           C  
HETATM   28  C   UNL     1       1.056  -1.152   0.623  1.00  0.00           C  
HETATM   29  O   UNL     1       1.283  -2.274   1.035  1.00  0.00           O  
HETATM   30  N   UNL     1       2.075  -0.350   0.255  1.00  0.00           N  
HETATM   31  C   UNL     1       3.446  -0.867   0.241  1.00  0.00           C  
HETATM   32  C   UNL     1       3.718  -1.557  -1.097  1.00  0.00           C  
HETATM   33  C   UNL     1       3.402  -0.593  -2.242  1.00  0.00           C  
HETATM   34  C   UNL     1       4.460   0.512  -2.285  1.00  0.00           C  
HETATM   35  C   UNL     1       3.407  -1.356  -3.568  1.00  0.00           C  
HETATM   36  O   UNL     1       4.009   1.416   0.446  1.00  0.00           O  
HETATM   37  O   UNL     1       6.838   3.277  -0.118  1.00  0.00           O  
HETATM   38  O   UNL     1       8.703   0.269  -0.317  1.00  0.00           O  
HETATM   39  C   UNL     1       7.658  -1.177   1.331  1.00  0.00           C  
HETATM   40  C   UNL     1       6.365  -1.306   0.491  1.00  0.00           C  
HETATM   41  H   UNL     1      10.191  -3.639   0.244  1.00  0.00           H  
HETATM   42  H   UNL     1       8.498   1.555  -1.951  1.00  0.00           H  
HETATM   43  H   UNL     1       9.114   2.313  -0.451  1.00  0.00           H  
HETATM   44  H   UNL     1       6.273   1.600  -1.208  1.00  0.00           H  
HETATM   45  H   UNL     1       6.523   1.638   1.705  1.00  0.00           H  
HETATM   46  H   UNL     1       8.763   0.705   1.758  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.987   1.070   0.587  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.674   1.529  -1.104  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.968   0.602  -0.812  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.980  -0.416  -1.887  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.727  -2.724   0.404  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.397  -1.224  -0.280  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.474  -2.340  -1.315  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.342  -2.956   0.673  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.029  -2.498  -1.018  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.047  -2.030   0.381  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.035  -1.011   1.456  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.085   2.065  -0.397  1.00  0.00           H  
HETATM   59  H   UNL     1       0.221   1.266  -0.236  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.496  -1.696   1.112  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.191  -2.497   1.273  1.00  0.00           H  
HETATM   62  H   UNL     1       1.901   0.569  -0.002  1.00  0.00           H  
HETATM   63  H   UNL     1       3.572  -1.585   1.052  1.00  0.00           H  
HETATM   64  H   UNL     1       4.766  -1.851  -1.148  1.00  0.00           H  
HETATM   65  H   UNL     1       3.088  -2.443  -1.184  1.00  0.00           H  
HETATM   66  H   UNL     1       2.419  -0.148  -2.082  1.00  0.00           H  
HETATM   67  H   UNL     1       5.445   0.078  -2.112  1.00  0.00           H  
HETATM   68  H   UNL     1       4.442   0.994  -3.262  1.00  0.00           H  
HETATM   69  H   UNL     1       4.247   1.250  -1.511  1.00  0.00           H  
HETATM   70  H   UNL     1       2.653  -2.142  -3.537  1.00  0.00           H  
HETATM   71  H   UNL     1       3.182  -0.668  -4.383  1.00  0.00           H  
HETATM   72  H   UNL     1       4.389  -1.800  -3.728  1.00  0.00           H  
HETATM   73  H   UNL     1       7.016   3.866  -0.864  1.00  0.00           H  
HETATM   74  H   UNL     1       7.445  -1.285   2.395  1.00  0.00           H  
HETATM   75  H   UNL     1       5.709  -2.066   0.916  1.00  0.00           H  
HETATM   76  H   UNL     1       6.607  -1.549  -0.544  1.00  0.00           H  
CONECT    1    6   36   36   31                                       
CONECT    2    3    3    3   39                                       
CONECT    3    2    2    2   41                                       
CONECT    4   38    5   42   43                                       
CONECT    5    7   37    4   44                                       
CONECT    6    7   40    1                                            
CONECT    7    8    6    5   45                                       
CONECT    8   39    7   38   46                                       
CONECT    9   10                                                      
CONECT   10   11   21   21    9                                       
CONECT   11   12   10                                                 
CONECT   12   13   20   20   11                                       
CONECT   13   19   14   12                                            
CONECT   14   15   13   47   48                                       
CONECT   15   16   14   49   50                                       
CONECT   16   17   18   15                                            
CONECT   17   16   51   52   53                                       
CONECT   18   16   19   54   55                                       
CONECT   19   18   13   56   57                                       
CONECT   20   12   12   21                                            
CONECT   21   20   22   10   10                                       
CONECT   22   25   21   23   23                                       
CONECT   23   22   22   24   58                                       
CONECT   24   27   27   23   59                                       
CONECT   25   26   26   22   60                                       
CONECT   26   25   25   27   61                                       
CONECT   27   26   28   24   24                                       
CONECT   28   29   29   27   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   62                                            
CONECT   31    1   30   32   63                                       
CONECT   32   31   33   64   65                                       
CONECT   33   32   34   35   66                                       
CONECT   34   33   67   68   69                                       
CONECT   35   33   70   71   72                                       
CONECT   36    1    1                                                 
CONECT   37    5   73                                                 
CONECT   38    8    4                                                 
CONECT   39    2    8   40   74                                       
CONECT   40   39    6   75   76                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
