COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.109   2.222  -2.083  1.00  0.00           C  
HETATM    2  C   UNL     1       2.243   1.001  -2.259  1.00  0.00           C  
HETATM    3  C   UNL     1       2.197  -3.087  -0.385  1.00  0.00           C  
HETATM    4  C   UNL     1       1.942  -2.577   1.943  1.00  0.00           C  
HETATM    5  C   UNL     1       1.445  -4.779   1.136  1.00  0.00           C  
HETATM    6  C   UNL     1       2.279  -2.183   0.656  1.00  0.00           C  
HETATM    7  C   UNL     1       1.524  -3.878   2.181  1.00  0.00           C  
HETATM    8  C   UNL     1       1.781  -4.384  -0.146  1.00  0.00           C  
HETATM    9  C   UNL     1       1.796  -0.313   2.653  1.00  0.00           C  
HETATM   10  C   UNL     1       2.882   0.545   3.304  1.00  0.00           C  
HETATM   11  C   UNL     1       2.337   1.954   3.551  1.00  0.00           C  
HETATM   12  C   UNL     1       3.132   2.961   2.719  1.00  0.00           C  
HETATM   13  C   UNL     1       2.329   3.343   1.474  1.00  0.00           C  
HETATM   14  C   UNL     1       2.843   2.570   0.288  1.00  0.00           C  
HETATM   15  C   UNL     1       0.609  -1.202  -1.209  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.393  -0.243  -1.855  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.721   0.423  -1.893  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.077   0.148  -1.295  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.483   0.827  -0.161  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.727   0.575   0.387  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.564  -0.355  -0.199  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.159  -1.033  -1.334  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.917  -0.778  -1.885  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.169   1.314   1.624  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.442   2.105   1.317  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.449   0.310   2.744  1.00  0.00           C  
HETATM   27  C   UNL     1       1.827  -1.358  -2.122  1.00  0.00           C  
HETATM   28  C   UNL     1       4.544   1.796  -1.766  1.00  0.00           C  
HETATM   29  C   UNL     1       1.797   4.250  -1.195  1.00  0.00           C  
HETATM   30  C   UNL     1       2.561  -2.657  -1.783  1.00  0.00           C  
HETATM   31  N   UNL     1       2.573   3.029  -0.967  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.730  -0.482  -1.295  1.00  0.00           N  
HETATM   33  N   UNL     1       2.756  -0.221  -1.912  1.00  0.00           N  
HETATM   34  O   UNL     1       2.022  -1.689   2.969  1.00  0.00           O  
HETATM   35  O   UNL     1       3.488   1.555   0.447  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.008  -2.477  -1.016  1.00  0.00           O  
HETATM   37  O   UNL     1       1.117   1.098  -2.697  1.00  0.00           O  
HETATM   38  H   UNL     1       3.097   2.813  -3.000  1.00  0.00           H  
HETATM   39  H   UNL     1       1.121  -5.792   1.320  1.00  0.00           H  
HETATM   40  H   UNL     1       2.604  -1.171   0.469  1.00  0.00           H  
HETATM   41  H   UNL     1       1.261  -4.188   3.182  1.00  0.00           H  
HETATM   42  H   UNL     1       1.719  -5.089  -0.961  1.00  0.00           H  
HETATM   43  H   UNL     1       0.819  -0.010   3.029  1.00  0.00           H  
HETATM   44  H   UNL     1       1.827  -0.179   1.572  1.00  0.00           H  
HETATM   45  H   UNL     1       3.178   0.097   4.253  1.00  0.00           H  
HETATM   46  H   UNL     1       3.747   0.600   2.643  1.00  0.00           H  
HETATM   47  H   UNL     1       1.286   1.992   3.263  1.00  0.00           H  
HETATM   48  H   UNL     1       2.432   2.200   4.609  1.00  0.00           H  
HETATM   49  H   UNL     1       3.325   3.854   3.315  1.00  0.00           H  
HETATM   50  H   UNL     1       4.080   2.515   2.417  1.00  0.00           H  
HETATM   51  H   UNL     1       1.277   3.106   1.634  1.00  0.00           H  
HETATM   52  H   UNL     1       2.436   4.411   1.286  1.00  0.00           H  
HETATM   53  H   UNL     1       0.926  -0.803  -0.246  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.094   0.785  -1.653  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.415  -0.411  -2.931  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.759   0.260  -2.970  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.437   1.456  -1.691  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.828   1.554   0.296  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.536  -0.553   0.230  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.814  -1.760  -1.791  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.601  -1.307  -2.771  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.381   1.999   1.938  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.761   2.639   2.212  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.242   2.820   0.519  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.229   1.420   1.003  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.236  -0.375   2.430  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.542  -0.253   2.963  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.769   0.845   3.639  1.00  0.00           H  
HETATM   69  H   UNL     1       1.503  -1.379  -3.163  1.00  0.00           H  
HETATM   70  H   UNL     1       4.532   1.029  -0.991  1.00  0.00           H  
HETATM   71  H   UNL     1       5.012   1.397  -2.665  1.00  0.00           H  
HETATM   72  H   UNL     1       5.109   2.659  -1.414  1.00  0.00           H  
HETATM   73  H   UNL     1       0.738   4.000  -1.268  1.00  0.00           H  
HETATM   74  H   UNL     1       1.951   4.939  -0.365  1.00  0.00           H  
HETATM   75  H   UNL     1       2.124   4.720  -2.123  1.00  0.00           H  
HETATM   76  H   UNL     1       3.637  -2.493  -1.844  1.00  0.00           H  
HETATM   77  H   UNL     1       2.271  -3.434  -2.490  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.722  -0.396  -0.290  1.00  0.00           H  
HETATM   79  H   UNL     1       3.653  -0.333  -1.558  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.315  -2.893  -1.834  1.00  0.00           H  
CONECT    1    2   28   31   38                                       
CONECT    2   37   37   33    1                                       
CONECT    3    8   30    6    6                                       
CONECT    4    7    7    6   34                                       
CONECT    5    8    8    7   39                                       
CONECT    6    3    3    4   40                                       
CONECT    7    5    4    4   41                                       
CONECT    8    5    5    3   42                                       
CONECT    9   34   10   43   44                                       
CONECT   10    9   11   45   46                                       
CONECT   11   12   10   47   48                                       
CONECT   12   13   11   49   50                                       
CONECT   13   14   12   51   52                                       
CONECT   14   31   35   35   13                                       
CONECT   15   36   16   27   53                                       
CONECT   16   32   15   54   55                                       
CONECT   17   18   32   56   57                                       
CONECT   18   19   19   23   17                                       
CONECT   19   20   18   18   58                                       
CONECT   20   24   21   21   19                                       
CONECT   21   20   20   22   59                                       
CONECT   22   21   23   23   60                                       
CONECT   23   22   22   18   61                                       
CONECT   24   26   25   20   62                                       
CONECT   25   24   63   64   65                                       
CONECT   26   24   66   67   68                                       
CONECT   27   15   30   33   69                                       
CONECT   28    1   70   71   72                                       
CONECT   29   31   73   74   75                                       
CONECT   30   27    3   76   77                                       
CONECT   31    1   29   14                                            
CONECT   32   17   16   78                                            
CONECT   33   27    2   79                                            
CONECT   34    4    9                                                 
CONECT   35   14   14                                                 
CONECT   36   15   80                                                 
CONECT   37    2    2                                                 
CONECT   38    1                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   36                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
