COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.019  -3.141   0.964  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.367  -2.419   0.913  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.464  -3.413   0.525  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.150  -4.006  -0.851  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.802  -4.728  -0.800  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.706  -3.734  -0.411  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.358  -4.455  -0.360  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.088  -5.127  -1.708  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.928  -4.056  -2.789  1.00  0.00           C  
HETATM   10  O   UNL     1       0.111  -5.900  -1.623  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.266  -3.459  -0.068  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.339  -2.332  -0.509  1.00  0.00           O  
HETATM   13  N   UNL     1       0.793  -3.821   0.683  1.00  0.00           N  
HETATM   14  C   UNL     1       0.958  -5.213   1.123  1.00  0.00           C  
HETATM   15  C   UNL     1       2.349  -5.701   0.707  1.00  0.00           C  
HETATM   16  C   UNL     1       3.407  -4.739   1.253  1.00  0.00           C  
HETATM   17  C   UNL     1       3.187  -3.345   0.661  1.00  0.00           C  
HETATM   18  C   UNL     1       1.808  -2.832   1.072  1.00  0.00           C  
HETATM   19  C   UNL     1       1.531  -1.524   0.378  1.00  0.00           C  
HETATM   20  O   UNL     1       1.612  -1.449  -0.825  1.00  0.00           O  
HETATM   21  O   UNL     1       1.194  -0.441   1.097  1.00  0.00           O  
HETATM   22  C   UNL     1       0.941   0.785   0.362  1.00  0.00           C  
HETATM   23  C   UNL     1       2.245   1.573   0.220  1.00  0.00           C  
HETATM   24  C   UNL     1       3.228   0.779  -0.643  1.00  0.00           C  
HETATM   25  C   UNL     1       4.513   1.555  -0.783  1.00  0.00           C  
HETATM   26  C   UNL     1       5.531   1.375   0.135  1.00  0.00           C  
HETATM   27  C   UNL     1       4.673   2.440  -1.833  1.00  0.00           C  
HETATM   28  C   UNL     1       5.849   3.154  -1.966  1.00  0.00           C  
HETATM   29  C   UNL     1       6.871   2.983  -1.046  1.00  0.00           C  
HETATM   30  O   UNL     1       8.029   3.684  -1.176  1.00  0.00           O  
HETATM   31  C   UNL     1       8.124   4.580  -2.285  1.00  0.00           C  
HETATM   32  C   UNL     1       6.712   2.087   0.007  1.00  0.00           C  
HETATM   33  O   UNL     1       7.714   1.911   0.910  1.00  0.00           O  
HETATM   34  C   UNL     1       7.481   0.976   1.964  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.070   1.618   1.107  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.054   2.295   0.412  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.015   1.700   2.486  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.941   2.464   3.173  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.924   3.146   2.483  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.984   3.061   1.099  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.950   3.732   0.417  1.00  0.00           O  
HETATM   42  C   UNL     1      -3.870   4.507   1.189  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.875   5.184   0.256  1.00  0.00           C  
HETATM   44  N   UNL     1      -5.691   4.161  -0.410  1.00  0.00           N  
HETATM   45  C   UNL     1      -6.502   4.751  -1.485  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.290   3.643  -2.190  1.00  0.00           C  
HETATM   47  O   UNL     1      -8.089   2.948  -1.228  1.00  0.00           O  
HETATM   48  C   UNL     1      -7.331   2.360  -0.167  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.544   3.455   0.558  1.00  0.00           C  
HETATM   50  H   UNL     1      -2.238  -2.433   1.241  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.063  -3.941   1.703  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.591  -1.997   1.893  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.324  -1.619   0.174  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.507  -4.213   1.264  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.424  -2.899   0.488  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.931  -4.715  -1.127  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.107  -3.206  -1.590  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.846  -5.528  -0.061  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.579  -5.150  -1.780  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.662  -2.934  -1.150  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.380  -5.211   0.424  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.923  -5.779  -1.963  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.144  -3.359  -2.497  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.660  -4.530  -3.734  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.868  -3.516  -2.907  1.00  0.00           H  
HETATM   66  H   UNL     1       0.047  -6.662  -1.031  1.00  0.00           H  
HETATM   67  H   UNL     1       0.861  -5.267   2.208  1.00  0.00           H  
HETATM   68  H   UNL     1       0.197  -5.837   0.655  1.00  0.00           H  
HETATM   69  H   UNL     1       2.521  -6.698   1.110  1.00  0.00           H  
HETATM   70  H   UNL     1       2.413  -5.732  -0.381  1.00  0.00           H  
HETATM   71  H   UNL     1       3.326  -4.690   2.339  1.00  0.00           H  
HETATM   72  H   UNL     1       4.399  -5.097   0.979  1.00  0.00           H  
HETATM   73  H   UNL     1       3.954  -2.667   1.033  1.00  0.00           H  
HETATM   74  H   UNL     1       3.243  -3.398  -0.426  1.00  0.00           H  
HETATM   75  H   UNL     1       1.782  -2.688   2.152  1.00  0.00           H  
HETATM   76  H   UNL     1       0.553   0.543  -0.627  1.00  0.00           H  
HETATM   77  H   UNL     1       2.040   2.533  -0.253  1.00  0.00           H  
HETATM   78  H   UNL     1       2.679   1.739   1.206  1.00  0.00           H  
HETATM   79  H   UNL     1       3.433  -0.181  -0.170  1.00  0.00           H  
HETATM   80  H   UNL     1       2.794   0.613  -1.629  1.00  0.00           H  
HETATM   81  H   UNL     1       5.405   0.679   0.951  1.00  0.00           H  
HETATM   82  H   UNL     1       3.876   2.575  -2.550  1.00  0.00           H  
HETATM   83  H   UNL     1       5.972   3.845  -2.787  1.00  0.00           H  
HETATM   84  H   UNL     1       8.014   4.022  -3.214  1.00  0.00           H  
HETATM   85  H   UNL     1       7.335   5.329  -2.215  1.00  0.00           H  
HETATM   86  H   UNL     1       9.096   5.074  -2.270  1.00  0.00           H  
HETATM   87  H   UNL     1       8.357   0.932   2.612  1.00  0.00           H  
HETATM   88  H   UNL     1       6.616   1.293   2.546  1.00  0.00           H  
HETATM   89  H   UNL     1       7.293  -0.010   1.541  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.099   2.227  -0.664  1.00  0.00           H  
HETATM   91  H   UNL     1       0.752   1.167   3.028  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.897   2.526   4.251  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.647   3.742   3.020  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.400   3.855   1.883  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.324   5.266   1.749  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.521   5.844   0.835  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.339   5.766  -0.494  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.195   5.477  -1.061  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.849   5.247  -2.203  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.936   4.083  -2.950  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.597   2.946  -2.660  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.007   1.872   0.535  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.639   1.625  -0.578  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.921   3.004   1.330  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.238   4.161   1.014  1.00  0.00           H  
CONECT    1    6    2   50   51                                       
CONECT    2    1    3   52   53                                       
CONECT    3    2    4   54   55                                       
CONECT    4    5    3   56   57                                       
CONECT    5    6    4   58   59                                       
CONECT    6    7    1    5   60                                       
CONECT    7    8   11    6   61                                       
CONECT    8    9   10    7   62                                       
CONECT    9    8   63   64   65                                       
CONECT   10    8   66                                                 
CONECT   11    7   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   18                                            
CONECT   14   13   15   67   68                                       
CONECT   15   14   16   69   70                                       
CONECT   16   15   17   71   72                                       
CONECT   17   18   16   73   74                                       
CONECT   18   19   13   17   75                                       
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19                                                 
CONECT   22   35   23   21   76                                       
CONECT   23   24   22   77   78                                       
CONECT   24   25   23   79   80                                       
CONECT   25   24   27   27   26                                       
CONECT   26   25   32   32   81                                       
CONECT   27   25   25   28   82                                       
CONECT   28   27   29   29   83                                       
CONECT   29   28   28   32   30                                       
CONECT   30   29   31                                                 
CONECT   31   30   84   85   86                                       
CONECT   32   26   26   29   33                                       
CONECT   33   32   34                                                 
CONECT   34   33   87   88   89                                       
CONECT   35   37   37   36   22                                       
CONECT   36   40   40   35   90                                       
CONECT   37   38   35   35   91                                       
CONECT   38   39   39   37   92                                       
CONECT   39   38   38   40   93                                       
CONECT   40   39   41   36   36                                       
CONECT   41   42   40                                                 
CONECT   42   41   43   94   95                                       
CONECT   43   44   42   96   97                                       
CONECT   44   45   49   43                                            
CONECT   45   46   44   98   99                                       
CONECT   46   47   45  100  101                                       
CONECT   47   46   48                                                 
CONECT   48   47   49  102  103                                       
CONECT   49   48   44  104  105                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   45                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   48                                                      
CONECT  103   48                                                      
CONECT  104   49                                                      
CONECT  105   49                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
