COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.449   2.511  -0.441  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.976   1.796   0.820  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.217   2.710   2.030  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.747   0.494   1.027  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.449  -0.502  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.954  -0.781  -0.214  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.428  -1.498   1.025  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.950  -1.855   0.864  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.093  -0.650   0.525  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.918   0.195   1.799  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.700   0.224  -0.562  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.179   0.525  -0.404  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.477   1.484   0.738  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.866   1.490  -0.625  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.356   2.596  -0.667  1.00  0.00           O  
HETATM   16  C   UNL     1       0.591   1.293  -0.655  1.00  0.00           C  
HETATM   17  C   UNL     1       1.140   0.119  -0.324  1.00  0.00           C  
HETATM   18  C   UNL     1       0.322  -1.068   0.099  1.00  0.00           C  
HETATM   19  C   UNL     1       0.189  -2.003  -1.109  1.00  0.00           C  
HETATM   20  C   UNL     1       0.995  -1.852   1.221  1.00  0.00           C  
HETATM   21  C   UNL     1       2.471  -2.112   0.882  1.00  0.00           C  
HETATM   22  C   UNL     1       3.172  -0.758   0.796  1.00  0.00           C  
HETATM   23  C   UNL     1       4.683  -0.887   0.840  1.00  0.00           C  
HETATM   24  C   UNL     1       5.122  -0.927   2.319  1.00  0.00           C  
HETATM   25  C   UNL     1       5.167  -2.180   0.181  1.00  0.00           C  
HETATM   26  C   UNL     1       5.375   0.284   0.203  1.00  0.00           C  
HETATM   27  O   UNL     1       6.726   0.272   0.160  1.00  0.00           O  
HETATM   28  C   UNL     1       4.744   1.328  -0.321  1.00  0.00           C  
HETATM   29  C   UNL     1       3.244   1.437  -0.346  1.00  0.00           C  
HETATM   30  C   UNL     1       2.655   0.018  -0.411  1.00  0.00           C  
HETATM   31  C   UNL     1       3.060  -0.620  -1.741  1.00  0.00           C  
HETATM   32  C   UNL     1       5.516   2.391  -0.883  1.00  0.00           C  
HETATM   33  N   UNL     1       6.130   3.236  -1.330  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.759  -1.662  -1.429  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.073  -1.281  -2.348  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.349  -2.867  -1.486  1.00  0.00           O  
HETATM   37  H   UNL     1      -1.568  -0.272  -1.546  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.525   0.980  -1.349  1.00  0.00           H  
HETATM   39  H   UNL     1       2.865  -0.186   1.703  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.289   1.867  -1.306  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.510   2.743  -0.351  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.884   3.435  -0.567  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.281   2.934   2.110  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.882   2.208   2.938  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.659   3.638   1.902  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.471   0.062   1.992  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.819   0.713   1.043  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.964  -1.447   0.136  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.833  -0.132  -1.037  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.564  -0.870   1.905  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.000  -2.421   1.172  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.601  -2.270   1.827  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.856  -2.654   0.132  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.311  -0.355   2.519  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.422   1.132   1.548  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.895   0.405   2.233  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.929   2.416   0.614  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.208   1.034   1.698  1.00  0.00           H  
HETATM   59  H   UNL     1       1.217   2.122  -0.953  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.226  -1.451  -1.952  1.00  0.00           H  
HETATM   61  H   UNL     1       1.172  -2.391  -1.377  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.472  -2.832  -0.856  1.00  0.00           H  
HETATM   63  H   UNL     1       0.970  -1.321   2.169  1.00  0.00           H  
HETATM   64  H   UNL     1       0.495  -2.817   1.344  1.00  0.00           H  
HETATM   65  H   UNL     1       2.902  -2.697   1.699  1.00  0.00           H  
HETATM   66  H   UNL     1       2.547  -2.667  -0.041  1.00  0.00           H  
HETATM   67  H   UNL     1       6.207  -1.020   2.374  1.00  0.00           H  
HETATM   68  H   UNL     1       4.811  -0.008   2.816  1.00  0.00           H  
HETATM   69  H   UNL     1       4.659  -1.782   2.813  1.00  0.00           H  
HETATM   70  H   UNL     1       4.854  -2.194  -0.864  1.00  0.00           H  
HETATM   71  H   UNL     1       6.254  -2.230   0.235  1.00  0.00           H  
HETATM   72  H   UNL     1       4.737  -3.036   0.700  1.00  0.00           H  
HETATM   73  H   UNL     1       2.895   1.938   0.550  1.00  0.00           H  
HETATM   74  H   UNL     1       2.754  -1.666  -1.750  1.00  0.00           H  
HETATM   75  H   UNL     1       2.574  -0.091  -2.560  1.00  0.00           H  
HETATM   76  H   UNL     1       4.142  -0.557  -1.859  1.00  0.00           H  
HETATM   77  H   UNL     1       7.113   1.051  -0.261  1.00  0.00           H  
HETATM   78  H   UNL     1       2.950   1.990  -1.237  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.196  -3.393  -2.283  1.00  0.00           H  
CONECT    1   40    2   42   41                                       
CONECT    2    1   13    4    3                                       
CONECT    3    2   44   45   43                                       
CONECT    4    2    5   46   47                                       
CONECT    5    4    6   49   48                                       
CONECT    6    5   34    7   12                                       
CONECT    7    6    8   51   50                                       
CONECT    8    7   53    9   52                                       
CONECT    9    8   18   11   10                                       
CONECT   10    9   56   54   55                                       
CONECT   11    9   37   14   12                                       
CONECT   12    6   11   38   13                                       
CONECT   13    2   12   57   58                                       
CONECT   14   11   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   17   59                                       
CONECT   17   16   16   30   18                                       
CONECT   18    9   17   19   20                                       
CONECT   19   18   60   62   61                                       
CONECT   20   18   21   64   63                                       
CONECT   21   20   66   65   22                                       
CONECT   22   21   23   30   39                                       
CONECT   23   22   25   26   24                                       
CONECT   24   23   67   69   68                                       
CONECT   25   23   71   72   70                                       
CONECT   26   23   27   28   28                                       
CONECT   27   26   77                                                 
CONECT   28   26   26   32   29                                       
CONECT   29   28   30   73   78                                       
CONECT   30   17   22   29   31                                       
CONECT   31   30   75   76   74                                       
CONECT   32   28   33   33   33                                       
CONECT   33   32   32   32                                            
CONECT   34    6   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   79                                                 
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   22                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   16                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   29                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   27                                                      
CONECT   78   29                                                      
CONECT   79   36                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
