COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.507   1.387   0.108  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.379   1.974  -0.447  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.339   1.183  -0.893  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.420  -0.194  -0.786  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.390  -0.430  -2.323  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.231  -2.540   0.830  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.566  -2.020   2.229  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.892  -1.257   2.185  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.956  -0.461   0.131  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.657  -1.051  -0.423  1.00  0.00           C  
HETATM   11  C   UNL     1       0.506  -0.108  -0.106  1.00  0.00           C  
HETATM   12  C   UNL     1       2.923  -0.371   0.060  1.00  0.00           C  
HETATM   13  C   UNL     1       5.288  -0.507   0.350  1.00  0.00           C  
HETATM   14  C   UNL     1       5.517  -1.389   1.579  1.00  0.00           C  
HETATM   15  C   UNL     1       6.837  -0.959   2.232  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.661   1.490   1.109  1.00  0.00           C  
HETATM   17  C   UNL     1       2.578   2.229  -1.151  1.00  0.00           C  
HETATM   18  C   UNL     1       1.388   2.184  -0.448  1.00  0.00           C  
HETATM   19  C   UNL     1       1.187   3.030   0.627  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.688  -3.198   3.197  1.00  0.00           C  
HETATM   21  C   UNL     1       7.814  -0.387   0.097  1.00  0.00           C  
HETATM   22  C   UNL     1       8.135  -2.214  -1.292  1.00  0.00           C  
HETATM   23  C   UNL     1       6.606  -2.020  -1.193  1.00  0.00           C  
HETATM   24  C   UNL     1       6.458  -0.604  -0.606  1.00  0.00           C  
HETATM   25  C   UNL     1       0.310   1.212  -0.854  1.00  0.00           C  
HETATM   26  C   UNL     1       3.569   3.116  -0.777  1.00  0.00           C  
HETATM   27  C   UNL     1       2.175   3.921   0.999  1.00  0.00           C  
HETATM   28  C   UNL     1       3.369   3.963   0.299  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.543  -0.781  -0.233  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.584   0.006   0.220  1.00  0.00           C  
HETATM   31  F   UNL     1       4.336   4.834   0.663  1.00  0.00           F  
HETATM   32  N   UNL     1      -3.053  -1.408  -0.083  1.00  0.00           N  
HETATM   33  N   UNL     1       1.765  -0.727  -0.530  1.00  0.00           N  
HETATM   34  O   UNL     1       7.890  -1.160   1.294  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.532   2.163   0.548  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.646  -2.478  -1.635  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.771  -1.209  -1.838  1.00  0.00           O  
HETATM   38  O   UNL     1       2.923   0.464   0.943  1.00  0.00           O  
HETATM   39  O   UNL     1       4.079  -0.939  -0.329  1.00  0.00           O  
HETATM   40  O   UNL     1       8.747  -0.993  -0.839  1.00  0.00           O  
HETATM   41  S   UNL     1      -4.091  -1.200  -1.356  1.00  0.00           S  
HETATM   42  H   UNL     1      -6.315   3.049  -0.531  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.461   1.639  -1.326  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.311  -3.123   0.870  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.045  -3.171   0.472  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.774  -1.352   2.568  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.698  -1.943   1.923  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.092  -0.819   3.163  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.831  -0.465   1.438  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.843  -0.271   1.198  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.179   0.474  -0.383  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.474  -2.021   0.038  1.00  0.00           H  
HETATM   53  H   UNL     1       0.538   0.083   0.966  1.00  0.00           H  
HETATM   54  H   UNL     1       5.169   0.528   0.669  1.00  0.00           H  
HETATM   55  H   UNL     1       4.697  -1.258   2.285  1.00  0.00           H  
HETATM   56  H   UNL     1       5.579  -2.435   1.277  1.00  0.00           H  
HETATM   57  H   UNL     1       6.784   0.095   2.504  1.00  0.00           H  
HETATM   58  H   UNL     1       7.019  -1.561   3.122  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.405   2.224   1.419  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.096   0.826   0.362  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.344   0.907   1.973  1.00  0.00           H  
HETATM   62  H   UNL     1       2.734   1.567  -1.991  1.00  0.00           H  
HETATM   63  H   UNL     1       0.258   2.994   1.175  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.744  -3.742   3.228  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.927  -2.827   4.193  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.481  -3.866   2.858  1.00  0.00           H  
HETATM   67  H   UNL     1       8.025   0.669   0.267  1.00  0.00           H  
HETATM   68  H   UNL     1       8.446  -3.043  -0.657  1.00  0.00           H  
HETATM   69  H   UNL     1       8.418  -2.412  -2.326  1.00  0.00           H  
HETATM   70  H   UNL     1       6.148  -2.076  -2.181  1.00  0.00           H  
HETATM   71  H   UNL     1       6.168  -2.763  -0.526  1.00  0.00           H  
HETATM   72  H   UNL     1       6.340   0.120  -1.412  1.00  0.00           H  
HETATM   73  H   UNL     1       0.367   1.034  -1.928  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.666   1.629  -0.606  1.00  0.00           H  
HETATM   75  H   UNL     1       4.500   3.147  -1.324  1.00  0.00           H  
HETATM   76  H   UNL     1       2.018   4.582   1.839  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.604  -1.856  -0.151  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.460  -0.454   0.652  1.00  0.00           H  
HETATM   79  H   UNL     1       1.764  -1.393  -1.235  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.935  -0.383  -2.314  1.00  0.00           H  
CONECT    1    2    2   30   35                                       
CONECT    2    3    1    1   42                                       
CONECT    3    4    4    2   43                                       
CONECT    4   41    3    3   29                                       
CONECT    5   41   41                                                 
CONECT    6    7   32   44   45                                       
CONECT    7    8   20    6   46                                       
CONECT    8    7   47   48   49                                       
CONECT    9   10   32   50   51                                       
CONECT   10   11   37    9   52                                       
CONECT   11   33   10   25   53                                       
CONECT   12   39   38   38   33                                       
CONECT   13   24   14   39   54                                       
CONECT   14   15   13   55   56                                       
CONECT   15   34   14   57   58                                       
CONECT   16   35   59   60   61                                       
CONECT   17   26   26   18   62                                       
CONECT   18   19   19   17   25                                       
CONECT   19   27   18   18   63                                       
CONECT   20    7   64   65   66                                       
CONECT   21   34   24   40   67                                       
CONECT   22   40   23   68   69                                       
CONECT   23   24   22   70   71                                       
CONECT   24   21   23   13   72                                       
CONECT   25   18   11   73   74                                       
CONECT   26   28   17   17   75                                       
CONECT   27   28   28   19   76                                       
CONECT   28   31   27   27   26                                       
CONECT   29    4   30   30   77                                       
CONECT   30   29   29    1   78                                       
CONECT   31   28                                                      
CONECT   32    6    9   41                                            
CONECT   33   12   11   79                                            
CONECT   34   15   21                                                 
CONECT   35    1   16                                                 
CONECT   36   41   41                                                 
CONECT   37   10   80                                                 
CONECT   38   12   12                                                 
CONECT   39   13   12                                                 
CONECT   40   21   22                                                 
CONECT   41   32   36   36    5                                       
CONECT   41    5    4                                                 
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   33                                                      
CONECT   80   37                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
