COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.402  -0.243   0.070  1.00  0.00           C  
HETATM    2  C   UNL     1       6.996  -1.674   0.433  1.00  0.00           C  
HETATM    3  C   UNL     1       8.112  -2.318   1.262  1.00  0.00           C  
HETATM    4  C   UNL     1       9.419  -2.268   0.465  1.00  0.00           C  
HETATM    5  C   UNL     1       9.731  -0.814   0.101  1.00  0.00           C  
HETATM    6  C   UNL     1      11.003  -0.762  -0.747  1.00  0.00           C  
HETATM    7  C   UNL     1      10.391  -3.634  -1.234  1.00  0.00           C  
HETATM    8  C   UNL     1       4.565  -1.608   0.587  1.00  0.00           C  
HETATM    9  C   UNL     1       3.291  -1.582   1.391  1.00  0.00           C  
HETATM   10  C   UNL     1       2.091  -1.538   0.443  1.00  0.00           C  
HETATM   11  C   UNL     1       0.804  -1.386   1.257  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.383  -1.217   0.306  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.670  -1.064   1.120  1.00  0.00           C  
HETATM   14  C   UNL     1       4.357   5.928  -0.294  1.00  0.00           C  
HETATM   15  C   UNL     1       4.266   4.761  -1.281  1.00  0.00           C  
HETATM   16  C   UNL     1       4.735   3.499  -0.602  1.00  0.00           C  
HETATM   17  C   UNL     1       6.125   3.832   0.030  1.00  0.00           C  
HETATM   18  C   UNL     1       5.769   4.613   1.261  1.00  0.00           C  
HETATM   19  C   UNL     1       6.079   1.700  -0.656  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.050  -0.750   0.706  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.220  -0.584  -0.230  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.506  -0.432   0.583  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.707  -0.387  -0.364  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.000  -0.361   0.452  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.201  -0.317  -0.496  1.00  0.00           C  
HETATM   26  C   UNL     1     -12.632  -0.251  -0.342  1.00  0.00           C  
HETATM   27  C   UNL     1     -13.906  -0.225   0.462  1.00  0.00           C  
HETATM   28  C   UNL     1     -15.106  -0.181  -0.485  1.00  0.00           C  
HETATM   29  C   UNL     1     -16.393  -0.029   0.328  1.00  0.00           C  
HETATM   30  C   UNL     1     -17.580   0.140  -0.622  1.00  0.00           C  
HETATM   31  C   UNL     1     -18.867   0.293   0.191  1.00  0.00           C  
HETATM   32  N   UNL     1       4.822   5.570   1.036  1.00  0.00           N  
HETATM   33  N   UNL     1       6.688   2.505   0.183  1.00  0.00           N  
HETATM   34  N   UNL     1       5.111   2.350  -1.414  1.00  0.00           N  
HETATM   35  N   UNL     1       6.365   0.360  -0.772  1.00  0.00           N  
HETATM   36  N   UNL     1      10.328  -4.376  -2.357  1.00  0.00           N  
HETATM   37  N   UNL     1       5.758  -1.648   1.214  1.00  0.00           N  
HETATM   38  N   UNL     1      -2.806  -0.902   0.210  1.00  0.00           N  
HETATM   39  N   UNL     1     -11.440  -0.291   0.286  1.00  0.00           N  
HETATM   40  N   UNL     1     -20.007   0.455  -0.721  1.00  0.00           N  
HETATM   41  N   UNL     1     -15.163  -1.426  -1.263  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.450   0.814   1.360  1.00  0.00           N  
HETATM   43  N   UNL     1       2.035  -2.783  -0.334  1.00  0.00           N  
HETATM   44  O   UNL     1       6.272   4.413   2.346  1.00  0.00           O  
HETATM   45  O   UNL     1       8.640  -0.266  -0.642  1.00  0.00           O  
HETATM   46  O   UNL     1      11.359   0.601  -0.988  1.00  0.00           O  
HETATM   47  O   UNL     1       9.277  -3.053  -0.749  1.00  0.00           O  
HETATM   48  O   UNL     1      11.451  -3.490  -0.659  1.00  0.00           O  
HETATM   49  O   UNL     1       8.271  -1.600   2.487  1.00  0.00           O  
HETATM   50  O   UNL     1       4.518  -1.593  -0.625  1.00  0.00           O  
HETATM   51  O   UNL     1      -4.229  -0.748   1.906  1.00  0.00           O  
HETATM   52  O   UNL     1     -12.679  -0.236  -1.554  1.00  0.00           O  
HETATM   53  O   UNL     1       5.094   5.029  -2.414  1.00  0.00           O  
HETATM   54  H   UNL     1       7.517   0.344   0.981  1.00  0.00           H  
HETATM   55  H   UNL     1       6.841  -2.251  -0.479  1.00  0.00           H  
HETATM   56  H   UNL     1       7.855  -3.355   1.477  1.00  0.00           H  
HETATM   57  H   UNL     1      10.230  -2.675   1.069  1.00  0.00           H  
HETATM   58  H   UNL     1       9.877  -0.235   1.012  1.00  0.00           H  
HETATM   59  H   UNL     1      11.814  -1.260  -0.215  1.00  0.00           H  
HETATM   60  H   UNL     1      10.828  -1.266  -1.697  1.00  0.00           H  
HETATM   61  H   UNL     1       3.233  -2.478   2.009  1.00  0.00           H  
HETATM   62  H   UNL     1       3.283  -0.699   2.030  1.00  0.00           H  
HETATM   63  H   UNL     1       2.194  -0.691  -0.235  1.00  0.00           H  
HETATM   64  H   UNL     1       0.655  -2.274   1.870  1.00  0.00           H  
HETATM   65  H   UNL     1       0.882  -0.510   1.900  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.234  -0.328  -0.307  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.461  -2.093  -0.337  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.819  -1.953   1.733  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.592  -0.188   1.763  1.00  0.00           H  
HETATM   70  H   UNL     1       5.035   6.675  -0.706  1.00  0.00           H  
HETATM   71  H   UNL     1       3.369   6.379  -0.203  1.00  0.00           H  
HETATM   72  H   UNL     1       3.233   4.638  -1.605  1.00  0.00           H  
HETATM   73  H   UNL     1       4.022   3.199   0.166  1.00  0.00           H  
HETATM   74  H   UNL     1       6.722   4.440  -0.649  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.070   0.305  -0.843  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.298  -1.460  -0.873  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.610  -1.279   1.262  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.649   0.508  -0.983  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.698  -1.271  -1.003  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.059  -1.257   1.070  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.009   0.522   1.091  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.143   0.579  -1.114  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.192  -1.200  -1.134  1.00  0.00           H  
HETATM   84  H   UNL     1     -13.964  -1.121   1.081  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.915   0.658   1.101  1.00  0.00           H  
HETATM   86  H   UNL     1     -15.003   0.666  -1.163  1.00  0.00           H  
HETATM   87  H   UNL     1     -16.542  -0.917   0.941  1.00  0.00           H  
HETATM   88  H   UNL     1     -16.315   0.848   0.971  1.00  0.00           H  
HETATM   89  H   UNL     1     -17.431   1.029  -1.235  1.00  0.00           H  
HETATM   90  H   UNL     1     -17.659  -0.736  -1.265  1.00  0.00           H  
HETATM   91  H   UNL     1     -19.016  -0.596   0.804  1.00  0.00           H  
HETATM   92  H   UNL     1     -18.789   1.169   0.835  1.00  0.00           H  
HETATM   93  H   UNL     1       4.442   6.033   1.799  1.00  0.00           H  
HETATM   94  H   UNL     1       4.767   2.097  -2.285  1.00  0.00           H  
HETATM   95  H   UNL     1       5.881  -0.186  -1.411  1.00  0.00           H  
HETATM   96  H   UNL     1      11.130  -4.795  -2.707  1.00  0.00           H  
HETATM   97  H   UNL     1       9.481  -4.491  -2.816  1.00  0.00           H  
HETATM   98  H   UNL     1       5.795  -1.661   2.184  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.664  -0.905  -0.749  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.402  -0.304   1.255  1.00  0.00           H  
HETATM  101  H   UNL     1     -20.062  -0.315  -1.371  1.00  0.00           H  
HETATM  102  H   UNL     1     -20.869   0.558  -0.208  1.00  0.00           H  
HETATM  103  H   UNL     1     -14.353  -1.518  -1.857  1.00  0.00           H  
HETATM  104  H   UNL     1     -15.259  -2.227  -0.656  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.704   0.783   2.039  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.354   1.614   0.754  1.00  0.00           H  
HETATM  107  H   UNL     1       2.844  -2.875  -0.929  1.00  0.00           H  
HETATM  108  H   UNL     1       1.939  -3.584   0.273  1.00  0.00           H  
HETATM  109  H   UNL     1      12.159   0.710  -1.521  1.00  0.00           H  
HETATM  110  H   UNL     1       8.963  -1.954   3.063  1.00  0.00           H  
HETATM  111  H   UNL     1       4.852   5.831  -2.898  1.00  0.00           H  
CONECT    1   35    2   45   54                                       
CONECT    2   37    1    3   55                                       
CONECT    3   49    2    4   56                                       
CONECT    4    3    5   47   57                                       
CONECT    5   45    4    6   58                                       
CONECT    6    5   46   59   60                                       
CONECT    7   47   48   48   36                                       
CONECT    8    9   37   50   50                                       
CONECT    9   10    8   61   62                                       
CONECT   10   43   11    9   63                                       
CONECT   11   10   12   64   65                                       
CONECT   12   11   13   66   67                                       
CONECT   13   38   12   68   69                                       
CONECT   14   15   32   70   71                                       
CONECT   15   53   14   16   72                                       
CONECT   16   15   17   34   73                                       
CONECT   17   16   18   33   74                                       
CONECT   18   32   17   44   44                                       
CONECT   19   33   33   34   35                                       
CONECT   20   51   51   21   38                                       
CONECT   21   20   22   75   76                                       
CONECT   22   23   21   42   77                                       
CONECT   23   24   22   78   79                                       
CONECT   24   25   23   80   81                                       
CONECT   25   39   24   82   83                                       
CONECT   26   27   52   52   39                                       
CONECT   27   28   26   84   85                                       
CONECT   28   29   41   27   86                                       
CONECT   29   30   28   87   88                                       
CONECT   30   31   29   89   90                                       
CONECT   31   40   30   91   92                                       
CONECT   32   14   18   93                                            
CONECT   33   17   19   19                                            
CONECT   34   16   19   94                                            
CONECT   35   19    1   95                                            
CONECT   36    7   96   97                                            
CONECT   37    8    2   98                                            
CONECT   38   20   13   99                                            
CONECT   39   26   25  100                                            
CONECT   40   31  101  102                                            
CONECT   41   28  103  104                                            
CONECT   42   22  105  106                                            
CONECT   43   10  107  108                                            
CONECT   44   18   18                                                 
CONECT   45    1    5                                                 
CONECT   46    6  109                                                 
CONECT   47    4    7                                                 
CONECT   48    7    7                                                 
CONECT   49    3  110                                                 
CONECT   50    8    8                                                 
CONECT   51   20   20                                                 
CONECT   52   26   26                                                 
CONECT   53   15  111                                                 
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   41                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   46                                                      
CONECT  110   49                                                      
CONECT  111   53                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
