COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.732  -1.586   4.034  1.00  0.00           C  
HETATM    2  C   UNL     1       4.258  -2.790   3.547  1.00  0.00           C  
HETATM    3  C   UNL     1       4.492  -0.416   3.337  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.270  -0.043  -1.563  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.505  -0.650  -1.502  1.00  0.00           C  
HETATM    6  C   UNL     1       5.124  -0.468  -2.831  1.00  0.00           C  
HETATM    7  C   UNL     1       3.551  -2.825   2.360  1.00  0.00           C  
HETATM    8  C   UNL     1       3.780  -0.451   2.153  1.00  0.00           C  
HETATM    9  C   UNL     1       3.807  -0.066  -2.827  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.821  -0.441  -0.754  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.882   1.723  -0.637  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.849  -1.824   0.509  1.00  0.00           C  
HETATM   13  C   UNL     1       4.751  -1.668  -0.768  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.489   1.549  -0.780  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.306  -0.321  -0.596  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.979   0.333  -0.664  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.803  -1.543  -0.468  1.00  0.00           C  
HETATM   18  C   UNL     1       5.606  -1.273  -1.798  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.595  -1.223   0.445  1.00  0.00           C  
HETATM   20  C   UNL     1       3.317  -1.656   1.660  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.585   0.170  -0.812  1.00  0.00           C  
HETATM   22  C   UNL     1       3.433  -1.256  -0.762  1.00  0.00           C  
HETATM   23  C   UNL     1       2.958  -0.456  -1.794  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.636   2.329  -0.701  1.00  0.00           C  
HETATM   25  C   UNL     1       7.019  -1.707  -1.794  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.135  -2.179  -0.403  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.578  -1.520   1.472  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.502   4.318  -0.056  1.00  0.00           C  
HETATM   29  C   UNL     1       1.319  -0.787   0.472  1.00  0.00           C  
HETATM   30  C   UNL     1       0.664  -0.668  -0.910  1.00  0.00           C  
HETATM   31  C   UNL     1       2.540  -1.694   0.369  1.00  0.00           C  
HETATM   32  C   UNL     1       2.059  -3.123   0.109  1.00  0.00           C  
HETATM   33  C   UNL     1       0.935   7.758   0.808  1.00  0.00           C  
HETATM   34  C   UNL     1       0.735   5.727   2.250  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.449   5.820   0.051  1.00  0.00           C  
HETATM   36  C   UNL     1       0.816   6.233   0.808  1.00  0.00           C  
HETATM   37  N   UNL     1       7.468  -2.459  -0.829  1.00  0.00           N  
HETATM   38  N   UNL     1       1.630  -0.028  -1.812  1.00  0.00           N  
HETATM   39  N   UNL     1       7.863  -1.316  -2.812  1.00  0.00           N  
HETATM   40  N   UNL     1      -9.058  -1.907  -1.347  1.00  0.00           N  
HETATM   41  N   UNL     1      -1.535   3.724  -0.687  1.00  0.00           N  
HETATM   42  O   UNL     1      -8.398  -2.947   0.502  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.533  -0.901   1.489  1.00  0.00           O  
HETATM   44  O   UNL     1       0.383   3.644   0.426  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.809  -2.479   2.391  1.00  0.00           O  
HETATM   46  H   UNL     1       5.284  -1.559   4.962  1.00  0.00           H  
HETATM   47  H   UNL     1       4.441  -3.703   4.094  1.00  0.00           H  
HETATM   48  H   UNL     1       4.862   0.524   3.718  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.047   0.645  -2.365  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.247  -0.434  -2.257  1.00  0.00           H  
HETATM   51  H   UNL     1       5.780  -0.164  -3.633  1.00  0.00           H  
HETATM   52  H   UNL     1       3.182  -3.766   1.979  1.00  0.00           H  
HETATM   53  H   UNL     1       3.593   0.463   1.609  1.00  0.00           H  
HETATM   54  H   UNL     1       3.431   0.553  -3.628  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.892  -1.518  -0.775  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.775   2.327  -0.568  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.080  -2.514   1.307  1.00  0.00           H  
HETATM   58  H   UNL     1       5.125  -2.287   0.034  1.00  0.00           H  
HETATM   59  H   UNL     1       0.481   2.022  -0.829  1.00  0.00           H  
HETATM   60  H   UNL     1       1.628   0.200   0.816  1.00  0.00           H  
HETATM   61  H   UNL     1       0.607  -1.214   1.178  1.00  0.00           H  
HETATM   62  H   UNL     1       0.414  -1.660  -1.287  1.00  0.00           H  
HETATM   63  H   UNL     1       1.419  -3.445   0.930  1.00  0.00           H  
HETATM   64  H   UNL     1       1.497  -3.153  -0.824  1.00  0.00           H  
HETATM   65  H   UNL     1       2.919  -3.788   0.037  1.00  0.00           H  
HETATM   66  H   UNL     1       0.062   8.191   1.297  1.00  0.00           H  
HETATM   67  H   UNL     1       1.836   8.052   1.348  1.00  0.00           H  
HETATM   68  H   UNL     1       0.992   8.119  -0.219  1.00  0.00           H  
HETATM   69  H   UNL     1       1.636   6.021   2.789  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.138   6.159   2.738  1.00  0.00           H  
HETATM   71  H   UNL     1       0.650   4.640   2.249  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.432   6.256  -0.948  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.327   6.178   0.589  1.00  0.00           H  
HETATM   74  H   UNL     1       1.689   5.800   0.319  1.00  0.00           H  
HETATM   75  H   UNL     1       6.875  -2.734  -0.112  1.00  0.00           H  
HETATM   76  H   UNL     1       1.350   0.682  -2.411  1.00  0.00           H  
HETATM   77  H   UNL     1       7.529  -0.756  -3.530  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.848  -1.294  -2.068  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.932  -2.325  -1.304  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.207   4.264  -1.130  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.113  -2.638   3.043  1.00  0.00           H  
HETATM   82  H   UNL     1       8.790  -1.600  -2.810  1.00  0.00           H  
CONECT    1    3    2    2   46                                       
CONECT    2    1    1    7   47                                       
CONECT    3    8    8    1   48                                       
CONECT    4   15    5    5   49                                       
CONECT    5    4    4   17   50                                       
CONECT    6   18   18    9   51                                       
CONECT    7   20   20    2   52                                       
CONECT    8    3    3   20   53                                       
CONECT    9    6   23   23   54                                       
CONECT   10   21   21   16   55                                       
CONECT   11   16   16   24   56                                       
CONECT   12   19   17   17   57                                       
CONECT   13   18   22   22   58                                       
CONECT   14   21   24   24   59                                       
CONECT   15   16   19   19    4                                       
CONECT   16   10   15   11   11                                       
CONECT   17   12   12    5   26                                       
CONECT   18   25    6    6   13                                       
CONECT   19   27   15   15   12                                       
CONECT   20    8    7    7   31                                       
CONECT   21   30   10   10   14                                       
CONECT   22   13   13   23   31                                       
CONECT   23    9    9   22   38                                       
CONECT   24   14   14   11   41                                       
CONECT   25   37   37   39   18                                       
CONECT   26   17   40   42   42                                       
CONECT   27   43   43   45   19                                       
CONECT   28   41   35   44   44                                       
CONECT   29   31   30   60   61                                       
CONECT   30   38   29   21   62                                       
CONECT   31   22   32   20   29                                       
CONECT   32   31   63   64   65                                       
CONECT   33   36   66   67   68                                       
CONECT   34   36   69   70   71                                       
CONECT   35   28   36   72   73                                       
CONECT   36   35   33   34   74                                       
CONECT   37   25   25   75                                            
CONECT   38   23   30   76                                            
CONECT   39   25   77   82                                            
CONECT   40   26   78   79                                            
CONECT   41   24   28   80                                            
CONECT   42   26   26                                                 
CONECT   43   27   27                                                 
CONECT   44   28   28                                                 
CONECT   45   27   81                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   45                                                      
CONECT   82   39                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
