COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.967   2.886  -2.073  1.00  0.00           C  
HETATM    2  C   UNL     1       2.445   3.417  -0.736  1.00  0.00           C  
HETATM    3  C   UNL     1       1.352   4.421  -0.990  1.00  0.00           C  
HETATM    4  C   UNL     1       0.524   4.752  -0.028  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.571   5.754  -0.293  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.705   5.550   0.712  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.804   4.739   0.078  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.524   3.899   0.826  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.593   3.102   0.222  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.824   3.190  -0.966  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.402   2.171   1.086  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.651   1.906   2.392  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.621   0.849   0.345  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.983   0.275   0.742  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.799  -1.161   1.237  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.020  -1.961   0.191  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.794  -1.967  -1.129  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.648  -1.310  -0.023  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.470  -1.044  -1.418  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.594  -0.079   0.702  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.578  -2.251   0.447  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.871  -3.135   1.215  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.163  -2.124  -0.010  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.783  -1.117  -0.571  1.00  0.00           O  
HETATM   25  N   UNL     1      -1.315  -3.146   0.213  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.829  -4.385   0.819  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.454  -5.560  -0.091  1.00  0.00           C  
HETATM   28  C   UNL     1       0.059  -5.553  -0.319  1.00  0.00           C  
HETATM   29  C   UNL     1       0.475  -4.262  -1.025  1.00  0.00           C  
HETATM   30  C   UNL     1       0.104  -3.061  -0.150  1.00  0.00           C  
HETATM   31  C   UNL     1       0.396  -1.788  -0.895  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.248  -1.497  -1.875  1.00  0.00           O  
HETATM   33  O   UNL     1       1.376  -0.975  -0.467  1.00  0.00           O  
HETATM   34  C   UNL     1       1.690   0.179  -1.288  1.00  0.00           C  
HETATM   35  C   UNL     1       3.197   0.437  -1.245  1.00  0.00           C  
HETATM   36  C   UNL     1       3.819   0.048  -2.588  1.00  0.00           C  
HETATM   37  C   UNL     1       3.826  -0.400  -0.130  1.00  0.00           C  
HETATM   38  C   UNL     1       5.299  -0.015   0.029  1.00  0.00           C  
HETATM   39  C   UNL     1       6.127  -0.708  -1.055  1.00  0.00           C  
HETATM   40  C   UNL     1       7.599  -0.322  -0.897  1.00  0.00           C  
HETATM   41  C   UNL     1       8.095  -0.760   0.483  1.00  0.00           C  
HETATM   42  O   UNL     1       9.470  -0.400   0.631  1.00  0.00           O  
HETATM   43  C   UNL     1       7.267  -0.067   1.566  1.00  0.00           C  
HETATM   44  O   UNL     1       7.731  -0.476   2.855  1.00  0.00           O  
HETATM   45  C   UNL     1       5.795  -0.453   1.408  1.00  0.00           C  
HETATM   46  O   UNL     1       5.021   0.195   2.420  1.00  0.00           O  
HETATM   47  C   UNL     1       0.953   1.411  -0.766  1.00  0.00           C  
HETATM   48  C   UNL     1       1.900   2.255   0.094  1.00  0.00           C  
HETATM   49  H   UNL     1       2.324   2.077  -2.419  1.00  0.00           H  
HETATM   50  H   UNL     1       2.967   3.690  -2.808  1.00  0.00           H  
HETATM   51  H   UNL     1       3.983   2.512  -1.943  1.00  0.00           H  
HETATM   52  H   UNL     1       3.259   3.898  -0.195  1.00  0.00           H  
HETATM   53  H   UNL     1       1.248   4.873  -1.966  1.00  0.00           H  
HETATM   54  H   UNL     1       0.622   4.306   0.950  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.171   6.764  -0.190  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.953   5.616  -1.305  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.324   5.024   1.587  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.099   6.520   1.016  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.006   4.832  -0.978  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.321   3.812   1.883  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.367   2.628   1.307  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.495   2.848   2.919  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.237   1.233   3.017  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.687   1.450   2.171  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.601   1.026  -0.730  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.416   0.882   1.536  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.646   0.280  -0.123  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.246  -1.153   2.176  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.776  -1.619   1.393  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.887  -2.985   0.540  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.924  -0.943  -1.479  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.239  -2.537  -1.874  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.771  -2.426  -0.975  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.623  -0.631  -1.635  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.382  -4.525   1.804  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.914  -4.325   0.913  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.746  -6.497   0.384  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.967  -5.459  -1.047  1.00  0.00           H  
HETATM   79  H   UNL     1       0.571  -5.622   0.641  1.00  0.00           H  
HETATM   80  H   UNL     1       0.335  -6.407  -0.938  1.00  0.00           H  
HETATM   81  H   UNL     1       1.553  -4.270  -1.192  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.041  -4.188  -1.982  1.00  0.00           H  
HETATM   83  H   UNL     1       0.711  -3.097   0.758  1.00  0.00           H  
HETATM   84  H   UNL     1       1.385  -0.015  -2.316  1.00  0.00           H  
HETATM   85  H   UNL     1       3.379   1.494  -1.053  1.00  0.00           H  
HETATM   86  H   UNL     1       3.118   0.271  -3.391  1.00  0.00           H  
HETATM   87  H   UNL     1       4.738   0.615  -2.740  1.00  0.00           H  
HETATM   88  H   UNL     1       4.045  -1.018  -2.588  1.00  0.00           H  
HETATM   89  H   UNL     1       3.299  -0.214   0.806  1.00  0.00           H  
HETATM   90  H   UNL     1       3.753  -1.458  -0.384  1.00  0.00           H  
HETATM   91  H   UNL     1       5.404   1.066  -0.069  1.00  0.00           H  
HETATM   92  H   UNL     1       6.022  -1.788  -0.957  1.00  0.00           H  
HETATM   93  H   UNL     1       5.773  -0.396  -2.038  1.00  0.00           H  
HETATM   94  H   UNL     1       8.189  -0.816  -1.669  1.00  0.00           H  
HETATM   95  H   UNL     1       7.704   0.758  -0.994  1.00  0.00           H  
HETATM   96  H   UNL     1       7.990  -1.841   0.581  1.00  0.00           H  
HETATM   97  H   UNL     1      10.055  -0.804  -0.025  1.00  0.00           H  
HETATM   98  H   UNL     1       7.372   1.013   1.469  1.00  0.00           H  
HETATM   99  H   UNL     1       8.658  -0.263   3.025  1.00  0.00           H  
HETATM  100  H   UNL     1       5.690  -1.533   1.506  1.00  0.00           H  
HETATM  101  H   UNL     1       5.281  -0.037   3.322  1.00  0.00           H  
HETATM  102  H   UNL     1       0.601   2.006  -1.608  1.00  0.00           H  
HETATM  103  H   UNL     1       0.101   1.096  -0.164  1.00  0.00           H  
HETATM  104  H   UNL     1       2.727   1.634   0.438  1.00  0.00           H  
HETATM  105  H   UNL     1       1.358   2.646   0.955  1.00  0.00           H  
CONECT    1    2   49   50   51                                       
CONECT    2    3   48    1   52                                       
CONECT    3    4    4    2   53                                       
CONECT    4    5    3    3   54                                       
CONECT    5    6    4   55   56                                       
CONECT    6    7    5   57   58                                       
CONECT    7    6    8    8   59                                       
CONECT    8    7    7    9   60                                       
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   13   12   61                                       
CONECT   12   11   62   63   64                                       
CONECT   13   14   11   20   65                                       
CONECT   14   15   13   66   67                                       
CONECT   15   14   16   68   69                                       
CONECT   16   15   17   18   70                                       
CONECT   17   16   71   72   73                                       
CONECT   18   16   19   20   21                                       
CONECT   19   18   74                                                 
CONECT   20   13   18                                                 
CONECT   21   18   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   30                                            
CONECT   26   25   27   75   76                                       
CONECT   27   26   28   77   78                                       
CONECT   28   27   29   79   80                                       
CONECT   29   30   28   81   82                                       
CONECT   30   31   25   29   83                                       
CONECT   31   33   32   32   30                                       
CONECT   32   31   31                                                 
CONECT   33   34   31                                                 
CONECT   34   35   47   33   84                                       
CONECT   35   36   37   34   85                                       
CONECT   36   35   86   87   88                                       
CONECT   37   35   38   89   90                                       
CONECT   38   37   45   39   91                                       
CONECT   39   38   40   92   93                                       
CONECT   40   41   39   94   95                                       
CONECT   41   43   42   40   96                                       
CONECT   42   41   97                                                 
CONECT   43   44   45   41   98                                       
CONECT   44   43   99                                                 
CONECT   45   46   43   38  100                                       
CONECT   46   45  101                                                 
CONECT   47   34   48  102  103                                       
CONECT   48   47    2  104  105                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   19                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   48                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
