COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.901  -0.172   3.459  1.00  0.00           C  
HETATM    2  C   UNL     1       3.992  -0.882   2.195  1.00  0.00           C  
HETATM    3  C   UNL     1       3.502  -1.117   0.764  1.00  0.00           C  
HETATM    4  C   UNL     1       4.268  -2.276   0.134  1.00  0.00           C  
HETATM    5  C   UNL     1       3.256  -3.386  -0.158  1.00  0.00           C  
HETATM    6  C   UNL     1       1.929  -2.608  -0.324  1.00  0.00           C  
HETATM    7  C   UNL     1       0.786  -3.533  -0.601  1.00  0.00           C  
HETATM    8  C   UNL     1       0.636  -4.668   0.403  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.521  -2.898  -0.992  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.531  -1.391  -0.928  1.00  0.00           C  
HETATM   11  C   UNL     1       0.494   0.196  -2.390  1.00  0.00           C  
HETATM   12  C   UNL     1       1.290   2.025  -1.060  1.00  0.00           C  
HETATM   13  C   UNL     1       0.911   3.424  -0.571  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.765   4.612   0.665  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.160   5.439  -0.560  1.00  0.00           C  
HETATM   16  C   UNL     1       0.318   5.352   1.452  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.972   4.407   1.543  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.306   3.199   1.926  1.00  0.00           C  
HETATM   19  C   UNL     1       2.596   2.099  -1.856  1.00  0.00           C  
HETATM   20  C   UNL     1       2.938   0.705  -2.392  1.00  0.00           C  
HETATM   21  C   UNL     1       1.768   0.196  -3.240  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.991  -1.097   0.476  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.157  -0.556   0.762  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.259  -0.275   2.239  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.801  -0.250   2.724  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.251  -1.340   1.763  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.537  -2.696   2.417  1.00  0.00           C  
HETATM   28  C   UNL     1       1.194  -1.048   1.574  1.00  0.00           C  
HETATM   29  C   UNL     1       2.053  -1.591   0.746  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.251  -0.254  -0.222  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.445   1.260  -0.321  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.554  -0.905   0.249  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.854  -1.115  -0.526  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.920  -0.922  -1.574  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.590  -0.716  -0.769  1.00  0.00           N  
HETATM   36  O   UNL     1       5.345  -0.423   2.167  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.606  -3.453  -0.230  1.00  0.00           O  
HETATM   38  O   UNL     1       0.656  -0.702  -1.290  1.00  0.00           O  
HETATM   39  O   UNL     1       0.251   1.515  -1.898  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.262   3.343   0.241  1.00  0.00           O  
HETATM   41  O   UNL     1       3.649   2.555  -1.005  1.00  0.00           O  
HETATM   42  O   UNL     1       4.115   0.779  -3.198  1.00  0.00           O  
HETATM   43  O   UNL     1       2.044  -1.133  -3.686  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.199   1.009   2.455  1.00  0.00           O  
HETATM   45  O   UNL     1      -7.134  -1.631   0.535  1.00  0.00           O  
HETATM   46  H   UNL     1       5.312   0.593   3.965  1.00  0.00           H  
HETATM   47  H   UNL     1       5.885  -1.090   4.046  1.00  0.00           H  
HETATM   48  H   UNL     1       6.929   0.172   3.351  1.00  0.00           H  
HETATM   49  H   UNL     1       3.364  -0.131   2.675  1.00  0.00           H  
HETATM   50  H   UNL     1       3.936  -1.815   2.757  1.00  0.00           H  
HETATM   51  H   UNL     1       3.597  -0.210   0.167  1.00  0.00           H  
HETATM   52  H   UNL     1       4.747  -1.954  -0.789  1.00  0.00           H  
HETATM   53  H   UNL     1       5.023  -2.643   0.832  1.00  0.00           H  
HETATM   54  H   UNL     1       3.501  -3.897  -1.083  1.00  0.00           H  
HETATM   55  H   UNL     1       3.198  -4.073   0.677  1.00  0.00           H  
HETATM   56  H   UNL     1       2.120  -2.066  -1.297  1.00  0.00           H  
HETATM   57  H   UNL     1       1.108  -4.082  -1.552  1.00  0.00           H  
HETATM   58  H   UNL     1       0.710  -4.270   1.416  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.335  -5.145   0.271  1.00  0.00           H  
HETATM   60  H   UNL     1       1.426  -5.402   0.243  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.731  -3.192  -2.053  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.313  -1.025  -1.650  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.350  -0.126  -3.000  1.00  0.00           H  
HETATM   64  H   UNL     1       1.424   1.365  -0.203  1.00  0.00           H  
HETATM   65  H   UNL     1       1.730   3.839   0.015  1.00  0.00           H  
HETATM   66  H   UNL     1       0.715   4.068  -1.429  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.931   4.912  -1.121  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.543   6.407  -0.237  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.286   5.588  -1.195  1.00  0.00           H  
HETATM   70  H   UNL     1       1.191   5.501   0.817  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.065   6.320   1.776  1.00  0.00           H  
HETATM   72  H   UNL     1       0.599   4.763   2.325  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.563   5.255   1.855  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.664   2.362   1.692  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.221   3.040   2.476  1.00  0.00           H  
HETATM   76  H   UNL     1       2.477   2.791  -2.690  1.00  0.00           H  
HETATM   77  H   UNL     1       3.107   0.025  -1.558  1.00  0.00           H  
HETATM   78  H   UNL     1       1.630   0.849  -4.102  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.715   0.697   2.399  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.814  -1.058   2.738  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.708  -0.564   3.748  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.619  -3.462   1.645  1.00  0.00           H  
HETATM   83  H   UNL     1       0.276  -2.951   3.096  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.472  -2.641   2.974  1.00  0.00           H  
HETATM   85  H   UNL     1       1.603  -0.234   2.210  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.980  -0.651  -1.200  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.624   1.670   0.673  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.549   1.714  -0.745  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.299   1.476  -0.962  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.391  -1.970   0.409  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.874  -0.442   1.183  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.960  -1.800  -2.218  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.886  -0.783  -1.088  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.685  -0.042  -2.173  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.366  -0.304  -1.618  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.471  -3.077  -0.445  1.00  0.00           H  
HETATM   97  H   UNL     1       4.509   2.621  -1.443  1.00  0.00           H  
HETATM   98  H   UNL     1       4.390  -0.070  -3.571  1.00  0.00           H  
HETATM   99  H   UNL     1       1.344  -1.520  -4.229  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.508   1.724   3.028  1.00  0.00           H  
CONECT    1   36   46   47   48                                       
CONECT    2    3   36   49   50                                       
CONECT    3   29    2    4   51                                       
CONECT    4    5    3   52   53                                       
CONECT    5    6    4   54   55                                       
CONECT    6    7   29    5   56                                       
CONECT    7    9    8    6   57                                       
CONECT    8    7   58   59   60                                       
CONECT    9   37   10    7   61                                       
CONECT   10   38   22    9   62                                       
CONECT   11   21   39   38   63                                       
CONECT   12   19   13   39   64                                       
CONECT   13   40   12   65   66                                       
CONECT   14   17   15   40   16                                       
CONECT   15   14   67   68   69                                       
CONECT   16   14   70   71   72                                       
CONECT   17   18   18   14   73                                       
CONECT   18   17   17   74   75                                       
CONECT   19   20   41   12   76                                       
CONECT   20   42   19   21   77                                       
CONECT   21   20   43   11   78                                       
CONECT   22   10   23   23   26                                       
CONECT   23   22   22   30   24                                       
CONECT   24   23   25   79   80                                       
CONECT   25   26   24   44   81                                       
CONECT   26   27   22   25   28                                       
CONECT   27   26   82   83   84                                       
CONECT   28   26   29   29   85                                       
CONECT   29   28   28    6    3                                       
CONECT   30   32   23   31   86                                       
CONECT   31   30   87   88   89                                       
CONECT   32   35   30   90   91                                       
CONECT   33   34   35   45   45                                       
CONECT   34   33   92   93   94                                       
CONECT   35   33   32   95                                            
CONECT   36    2    1                                                 
CONECT   37    9   96                                                 
CONECT   38   11   10                                                 
CONECT   39   12   11                                                 
CONECT   40   14   13                                                 
CONECT   41   19   97                                                 
CONECT   42   20   98                                                 
CONECT   43   21   99                                                 
CONECT   44   25  100                                                 
CONECT   45   33   33                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   37                                                      
CONECT   97   41                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
