COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.399   2.514   1.161  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.074   0.841   2.042  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.775  -0.641   2.230  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.637  -1.420   0.926  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.640  -2.918   1.256  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.128  -4.386  -0.122  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.692  -1.502  -1.397  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.389  -0.009  -1.548  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.737  -3.763  -0.012  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.796  -3.973  -1.433  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.230  -3.515  -1.156  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.578  -2.324  -2.050  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.916   0.554  -0.227  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.976   2.290   1.601  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.790  -1.121  -0.029  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.204   1.456   0.954  1.00  0.00           C  
HETATM   17  C   UNL     1       1.269   1.341   1.352  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.382   2.051   2.230  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.611   2.711  -1.370  1.00  0.00           C  
HETATM   20  C   UNL     1       2.486   1.199  -0.736  1.00  0.00           C  
HETATM   21  C   UNL     1       2.606   2.034  -2.013  1.00  0.00           C  
HETATM   22  C   UNL     1       3.289   1.176  -3.086  1.00  0.00           C  
HETATM   23  C   UNL     1       3.326   1.941  -4.411  1.00  0.00           C  
HETATM   24  C   UNL     1       2.518  -0.132  -3.269  1.00  0.00           C  
HETATM   25  C   UNL     1       4.796   0.427  -1.393  1.00  0.00           C  
HETATM   26  C   UNL     1       6.218  -0.672   0.201  1.00  0.00           C  
HETATM   27  C   UNL     1       6.002  -0.188  -1.073  1.00  0.00           C  
HETATM   28  C   UNL     1       4.035   0.063   0.850  1.00  0.00           C  
HETATM   29  C   UNL     1       5.234  -0.545   1.164  1.00  0.00           C  
HETATM   30  C   UNL     1       3.811   0.549  -0.428  1.00  0.00           C  
HETATM   31  C   UNL     1       5.470  -1.071   2.557  1.00  0.00           C  
HETATM   32  C   UNL     1       5.848  -2.552   2.486  1.00  0.00           C  
HETATM   33  C   UNL     1       6.606  -0.285   3.213  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.651   1.886  -0.145  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.519   1.017   1.774  1.00  0.00           N  
HETATM   36  N   UNL     1       2.097   2.069   0.382  1.00  0.00           N  
HETATM   37  O   UNL     1      -4.797  -0.201   0.714  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.419   0.763  -0.277  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.267   3.256   1.820  1.00  0.00           O  
HETATM   40  O   UNL     1       4.622   0.894  -2.657  1.00  0.00           O  
HETATM   41  H   UNL     1      -4.534   3.606   1.035  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.844   1.355   2.993  1.00  0.00           H  
HETATM   43  H   UNL     1       0.156  -0.745   2.802  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.575  -1.093   2.829  1.00  0.00           H  
HETATM   45  H   UNL     1       0.312  -1.176   0.444  1.00  0.00           H  
HETATM   46  H   UNL     1       0.281  -3.165   1.789  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.492  -3.135   1.905  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.039  -5.475  -0.089  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.742  -4.057   0.719  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.772  -1.762  -0.344  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.639  -1.727  -1.893  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.616   0.126  -2.302  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.300   0.508  -1.855  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.505  -3.182  -0.897  1.00  0.00           H  
HETATM   55  H   UNL     1       0.000  -4.578   0.057  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.235  -3.168  -1.901  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.819  -4.831  -2.110  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.917  -4.336  -1.364  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.324  -3.224  -0.111  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.922  -2.688  -3.019  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.699  -1.699  -2.193  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.063  -0.068   0.049  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.482  -1.341  -1.051  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.649  -1.739   0.233  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.466   2.507   0.830  1.00  0.00           H  
HETATM   66  H   UNL     1       1.411   1.769   2.345  1.00  0.00           H  
HETATM   67  H   UNL     1       1.561   0.291   1.364  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.301   0.971   2.355  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.152   2.545   3.174  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.397   2.306   1.925  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.621   2.644  -1.821  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.358   2.349  -2.076  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.824   3.749  -1.115  1.00  0.00           H  
HETATM   74  H   UNL     1       1.728   0.428  -0.876  1.00  0.00           H  
HETATM   75  H   UNL     1       1.613   2.327  -2.355  1.00  0.00           H  
HETATM   76  H   UNL     1       3.205   2.923  -1.816  1.00  0.00           H  
HETATM   77  H   UNL     1       3.884   2.868  -4.280  1.00  0.00           H  
HETATM   78  H   UNL     1       3.812   1.329  -5.171  1.00  0.00           H  
HETATM   79  H   UNL     1       2.308   2.171  -4.726  1.00  0.00           H  
HETATM   80  H   UNL     1       3.011  -0.743  -4.025  1.00  0.00           H  
HETATM   81  H   UNL     1       2.493  -0.675  -2.323  1.00  0.00           H  
HETATM   82  H   UNL     1       1.499   0.088  -3.588  1.00  0.00           H  
HETATM   83  H   UNL     1       7.155  -1.149   0.446  1.00  0.00           H  
HETATM   84  H   UNL     1       6.771  -0.288  -1.824  1.00  0.00           H  
HETATM   85  H   UNL     1       3.267   0.161   1.603  1.00  0.00           H  
HETATM   86  H   UNL     1       4.560  -0.956   3.147  1.00  0.00           H  
HETATM   87  H   UNL     1       6.805  -2.658   1.974  1.00  0.00           H  
HETATM   88  H   UNL     1       5.930  -2.955   3.495  1.00  0.00           H  
HETATM   89  H   UNL     1       5.080  -3.097   1.938  1.00  0.00           H  
HETATM   90  H   UNL     1       6.834  -0.719   4.186  1.00  0.00           H  
HETATM   91  H   UNL     1       7.492  -0.329   2.579  1.00  0.00           H  
HETATM   92  H   UNL     1       6.303   0.754   3.341  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.129   0.254   1.762  1.00  0.00           H  
HETATM   94  H   UNL     1       2.909   2.470   0.828  1.00  0.00           H  
HETATM   95  H   UNL     1       0.157  -0.004  -0.403  1.00  0.00           H  
CONECT    1   14   18   34   41                                       
CONECT    2   16    3   35   42                                       
CONECT    3    2    4   43   44                                       
CONECT    4   15    3    5   45                                       
CONECT    5    4    9   46   47                                       
CONECT    6    9   10   48   49                                       
CONECT    7    8   12   50   51                                       
CONECT    8   13    7   52   53                                       
CONECT    9    5    6   54   55                                       
CONECT   10    6   11   56   57                                       
CONECT   11   10   12   58   59                                       
CONECT   12    7   11   60   61                                       
CONECT   13   34   37   37    8                                       
CONECT   14   39   39   35    1                                       
CONECT   15    4   62   63   64                                       
CONECT   16   17   38    2   65                                       
CONECT   17   36   16   66   67                                       
CONECT   18    1   68   69   70                                       
CONECT   19   34   71   72   73                                       
CONECT   20   30   21   36   74                                       
CONECT   21   22   20   75   76                                       
CONECT   22   40   24   23   21                                       
CONECT   23   22   77   78   79                                       
CONECT   24   22   80   81   82                                       
CONECT   25   27   40   30   30                                       
CONECT   26   27   27   29   83                                       
CONECT   27   26   26   25   84                                       
CONECT   28   29   29   30   85                                       
CONECT   29   26   31   28   28                                       
CONECT   30   25   25   28   20                                       
CONECT   31   33   32   29   86                                       
CONECT   32   31   87   88   89                                       
CONECT   33   31   90   91   92                                       
CONECT   34    1   19   13                                            
CONECT   35    2   14   93                                            
CONECT   36   20   17   94                                            
CONECT   37   13   13                                                 
CONECT   38   16   95                                                 
CONECT   39   14   14                                                 
CONECT   40   25   22                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   38                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
