COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.753   2.686   0.459  1.00  0.00           C  
HETATM    2  C   UNL     1       2.409   2.524  -0.116  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.019   2.493   0.097  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.720   1.512   0.358  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.180   1.807   0.675  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.559   1.411   0.143  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.458   0.781   1.536  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.659   2.011   1.039  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.543  -3.311   2.524  1.00  0.00           C  
HETATM   10  O   UNL     1       2.279   2.274  -1.299  1.00  0.00           O  
HETATM   11  N   UNL     1       1.320   2.654   0.669  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.036   3.256   0.951  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.737   4.653   0.917  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.440   3.017   0.389  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.520   3.544  -0.937  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.097   1.261  -0.258  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.084   3.231   0.735  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.707  -0.019   0.185  1.00  0.00           O  
HETATM   19  C   UNL     1      -8.094  -0.291   0.477  1.00  0.00           C  
HETATM   20  O   UNL     1      -9.861   1.048   1.530  1.00  0.00           O  
HETATM   21  O   UNL     1      -8.501   2.882   0.282  1.00  0.00           O  
HETATM   22  N   UNL     1      -8.250  -1.638   1.031  1.00  0.00           N  
HETATM   23  C   UNL     1      -7.400  -2.069   2.012  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.577  -4.143   2.031  1.00  0.00           C  
HETATM   25  O   UNL     1      -8.727  -5.266   2.476  1.00  0.00           O  
HETATM   26  N   UNL     1      -9.395  -3.680   1.063  1.00  0.00           N  
HETATM   27  C   UNL     1      -9.229  -2.438   0.572  1.00  0.00           C  
HETATM   28  O   UNL     1      -9.974  -2.034  -0.300  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.720   0.859  -0.427  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.391   1.008   0.077  1.00  0.00           C  
HETATM   31  O   UNL     1       0.520   0.299  -0.764  1.00  0.00           O  
HETATM   32  C   UNL     1       0.331  -1.117  -0.761  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.852  -1.442  -1.494  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.835  -1.000  -2.853  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.156  -1.375  -3.528  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.225  -0.648  -2.919  1.00  0.00           O  
HETATM   37  C   UNL     1       0.324  -1.673  -3.593  1.00  0.00           C  
HETATM   38  O   UNL     1       0.379  -1.189  -4.937  1.00  0.00           O  
HETATM   39  C   UNL     1       1.637  -1.342  -2.876  1.00  0.00           C  
HETATM   40  O   UNL     1       2.717  -2.025  -3.516  1.00  0.00           O  
HETATM   41  C   UNL     1       1.538  -1.795  -1.417  1.00  0.00           C  
HETATM   42  N   UNL     1       2.760  -1.416  -0.702  1.00  0.00           N  
HETATM   43  C   UNL     1       3.137  -2.100   0.396  1.00  0.00           C  
HETATM   44  O   UNL     1       2.465  -3.028   0.794  1.00  0.00           O  
HETATM   45  C   UNL     1       4.394  -1.710   1.131  1.00  0.00           C  
HETATM   46  H   UNL     1       3.868   2.909   1.509  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.030   2.885  -0.920  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.698   1.117   1.374  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.043   1.391   1.673  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.677   1.766  -0.881  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.126   0.476   2.528  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.217   2.544   1.881  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.876  -3.665   3.295  1.00  0.00           H  
HETATM   54  H   UNL     1       1.424   2.854   1.612  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.989   2.898   1.980  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.342   5.198   1.438  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.176   3.511   1.024  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.349   4.494  -0.993  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.161   1.764  -1.222  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.244   0.190  -0.396  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.196   3.669  -0.120  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.708  -0.171  -0.416  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.138   1.713   2.176  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.246   3.243   0.783  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.617  -1.420   2.376  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.105  -4.245   0.720  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.340   0.607   1.090  1.00  0.00           H  
HETATM   68  H   UNL     1       0.230  -1.469   0.266  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.706   0.082  -2.883  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.106  -1.128  -4.588  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.332  -2.445  -3.412  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.102  -0.892  -3.245  1.00  0.00           H  
HETATM   73  H   UNL     1       0.175  -2.752  -3.600  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.424  -1.360  -5.449  1.00  0.00           H  
HETATM   75  H   UNL     1       1.812  -0.266  -2.915  1.00  0.00           H  
HETATM   76  H   UNL     1       2.834  -1.791  -4.447  1.00  0.00           H  
HETATM   77  H   UNL     1       1.413  -2.877  -1.379  1.00  0.00           H  
HETATM   78  H   UNL     1       3.297  -0.674  -1.020  1.00  0.00           H  
HETATM   79  H   UNL     1       4.307  -0.681   1.479  1.00  0.00           H  
HETATM   80  H   UNL     1       4.534  -2.371   1.987  1.00  0.00           H  
HETATM   81  H   UNL     1       5.248  -1.797   0.461  1.00  0.00           H  
HETATM   82  C   UNL     1       4.827   2.553  -0.315  1.00  0.00           C  
HETATM   83  C   UNL     1       6.204   2.718   0.274  1.00  0.00           C  
HETATM   84  C   UNL     1       7.039   1.471  -0.023  1.00  0.00           C  
HETATM   85  C   UNL     1       8.438   1.639   0.575  1.00  0.00           C  
HETATM   86  C   UNL     1       9.272   0.391   0.278  1.00  0.00           C  
HETATM   87  C   UNL     1      10.671   0.560   0.876  1.00  0.00           C  
HETATM   88  C   UNL     1      11.505  -0.688   0.580  1.00  0.00           C  
HETATM   89  C   UNL     1      12.904  -0.520   1.177  1.00  0.00           C  
HETATM   90  C   UNL     1      13.738  -1.767   0.881  1.00  0.00           C  
HETATM   91  C   UNL     1      15.137  -1.599   1.478  1.00  0.00           C  
HETATM   92  C   UNL     1      15.035  -1.533   3.003  1.00  0.00           C  
HETATM   93  C   UNL     1      16.010  -2.789   1.076  1.00  0.00           C  
HETATM   94  H   UNL     1       4.712   2.326  -1.364  1.00  0.00           H  
HETATM   95  H   UNL     1       6.686   3.591  -0.168  1.00  0.00           H  
HETATM   96  H   UNL     1       6.125   2.854   1.353  1.00  0.00           H  
HETATM   97  H   UNL     1       6.558   0.598   0.419  1.00  0.00           H  
HETATM   98  H   UNL     1       7.119   1.335  -1.101  1.00  0.00           H  
HETATM   99  H   UNL     1       8.919   2.512   0.133  1.00  0.00           H  
HETATM  100  H   UNL     1       8.358   1.775   1.654  1.00  0.00           H  
HETATM  101  H   UNL     1       8.791  -0.481   0.720  1.00  0.00           H  
HETATM  102  H   UNL     1       9.352   0.255  -0.800  1.00  0.00           H  
HETATM  103  H   UNL     1      11.152   1.432   0.434  1.00  0.00           H  
HETATM  104  H   UNL     1      10.591   0.696   1.955  1.00  0.00           H  
HETATM  105  H   UNL     1      11.024  -1.560   1.021  1.00  0.00           H  
HETATM  106  H   UNL     1      11.585  -0.824  -0.499  1.00  0.00           H  
HETATM  107  H   UNL     1      13.385   0.353   0.735  1.00  0.00           H  
HETATM  108  H   UNL     1      12.824  -0.384   2.256  1.00  0.00           H  
HETATM  109  H   UNL     1      13.257  -2.640   1.322  1.00  0.00           H  
HETATM  110  H   UNL     1      13.818  -1.903  -0.198  1.00  0.00           H  
HETATM  111  H   UNL     1      15.584  -0.678   1.104  1.00  0.00           H  
HETATM  112  H   UNL     1      16.032  -1.413   3.429  1.00  0.00           H  
HETATM  113  H   UNL     1      14.413  -0.685   3.290  1.00  0.00           H  
HETATM  114  H   UNL     1      14.589  -2.454   3.378  1.00  0.00           H  
HETATM  115  H   UNL     1      16.082  -2.836  -0.010  1.00  0.00           H  
HETATM  116  H   UNL     1      17.006  -2.670   1.502  1.00  0.00           H  
HETATM  117  H   UNL     1      15.563  -3.710   1.451  1.00  0.00           H  
CONECT    1    2   46   82   82                                       
CONECT    2    1   11   10   10                                       
CONECT    3   12   11   30   47                                       
CONECT    4   14   16   29   48                                       
CONECT    5   17   16    6   49                                       
CONECT    6    8    5   18   50                                       
CONECT    7    8   20   19   51                                       
CONECT    8   21    7    6   52                                       
CONECT    9   23   23   24   53                                       
CONECT   10    2    2                                                 
CONECT   11    3    2   54                                            
CONECT   12   13   14    3   55                                       
CONECT   13   12   56                                                 
CONECT   14   15   12    4   57                                       
CONECT   15   14   58                                                 
CONECT   16    4    5   59   60                                       
CONECT   17    5   61                                                 
CONECT   18    6   19                                                 
CONECT   19    7   22   18   62                                       
CONECT   20    7   63                                                 
CONECT   21    8   64                                                 
CONECT   22   23   19   27                                            
CONECT   23    9    9   22   65                                       
CONECT   24    9   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   66                                            
CONECT   27   22   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29    4   30                                                 
CONECT   30    3   29   31   67                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   41   68                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   37   69                                       
CONECT   35   34   36   70   71                                       
CONECT   36   35   72                                                 
CONECT   37   34   39   38   73                                       
CONECT   38   37   74                                                 
CONECT   39   41   37   40   75                                       
CONECT   40   39   76                                                 
CONECT   41   32   42   39   77                                       
CONECT   42   41   43   78                                            
CONECT   43   44   44   42   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   79   80   81                                       
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   26                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
CONECT   82    1    1   83   94                                       
CONECT   83   82   84   95   96                                       
CONECT   84   83   85   97   98                                       
CONECT   85   84   86   99  100                                       
CONECT   86   85   87  101  102                                       
CONECT   87   86   88  103  104                                       
CONECT   88   87   89  105  106                                       
CONECT   89   88   90  107  108                                       
CONECT   90   89   91  109  110                                       
CONECT   91   90   92   93  111                                       
CONECT   92   91  112  113  114                                       
CONECT   93   91  115  116  117                                       
CONECT   94   82                                                      
CONECT   95   83                                                      
CONECT   96   83                                                      
CONECT   97   84                                                      
CONECT   98   84                                                      
CONECT   99   85                                                      
CONECT  100   85                                                      
CONECT  101   86                                                      
CONECT  102   86                                                      
CONECT  103   87                                                      
CONECT  104   87                                                      
CONECT  105   88                                                      
CONECT  106   88                                                      
CONECT  107   89                                                      
CONECT  108   89                                                      
CONECT  109   90                                                      
CONECT  110   90                                                      
CONECT  111   91                                                      
CONECT  112   92                                                      
CONECT  113   92                                                      
CONECT  114   92                                                      
CONECT  115   93                                                      
CONECT  116   93                                                      
CONECT  117   93                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
