COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.966  -1.170  -0.721  1.00  0.00           C  
HETATM    2  C   UNL     1       7.840  -0.458  -0.017  1.00  0.00           C  
HETATM    3  O   UNL     1       8.035   0.074   1.055  1.00  0.00           O  
HETATM    4  C   UNL     1      10.237  -1.075   0.125  1.00  0.00           C  
HETATM    5  C   UNL     1      11.381  -1.798  -0.589  1.00  0.00           C  
HETATM    6  C   UNL     1      12.652  -1.703   0.257  1.00  0.00           C  
HETATM    7  C   UNL     1      13.796  -2.426  -0.456  1.00  0.00           C  
HETATM    8  N   UNL     1      15.016  -2.334   0.356  1.00  0.00           N  
HETATM    9  N   UNL     1       6.616  -0.412  -0.580  1.00  0.00           N  
HETATM   10  C   UNL     1       5.521   0.281   0.104  1.00  0.00           C  
HETATM   11  C   UNL     1       5.571   1.772  -0.234  1.00  0.00           C  
HETATM   12  C   UNL     1       5.528   1.953  -1.752  1.00  0.00           C  
HETATM   13  C   UNL     1       4.371   2.479   0.398  1.00  0.00           C  
HETATM   14  C   UNL     1       6.866   2.376   0.315  1.00  0.00           C  
HETATM   15  C   UNL     1       4.203  -0.292  -0.350  1.00  0.00           C  
HETATM   16  O   UNL     1       4.144  -0.941  -1.373  1.00  0.00           O  
HETATM   17  N   UNL     1       3.091  -0.085   0.382  1.00  0.00           N  
HETATM   18  C   UNL     1       1.794  -0.565  -0.103  1.00  0.00           C  
HETATM   19  C   UNL     1       1.609  -2.029   0.299  1.00  0.00           C  
HETATM   20  C   UNL     1       1.589  -2.140   1.825  1.00  0.00           C  
HETATM   21  C   UNL     1       0.287  -2.551  -0.267  1.00  0.00           C  
HETATM   22  C   UNL     1       2.766  -2.861  -0.257  1.00  0.00           C  
HETATM   23  C   UNL     1       0.692   0.266   0.502  1.00  0.00           C  
HETATM   24  O   UNL     1       0.896   0.896   1.518  1.00  0.00           O  
HETATM   25  N   UNL     1      -0.520   0.308  -0.085  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.562   1.188   0.448  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.804   2.342  -0.527  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.583   3.223  -0.577  1.00  0.00           C  
HETATM   29  O   UNL     1       0.406   2.925   0.060  1.00  0.00           O  
HETATM   30  N   UNL     1      -0.588   4.341  -1.329  1.00  0.00           N  
HETATM   31  C   UNL     1       0.600   5.197  -1.378  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.782   4.700  -2.099  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.838   0.406   0.627  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.872  -0.771   0.338  1.00  0.00           O  
HETATM   35  N   UNL     1      -3.939   1.014   1.110  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.179   0.253   1.284  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.375   1.207   1.227  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.322   2.103   2.338  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.156  -0.456   2.639  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.654   0.412   1.283  1.00  0.00           C  
HETATM   41  O   UNL     1      -8.400   0.529   2.232  1.00  0.00           O  
HETATM   42  N   UNL     1      -7.969  -0.429   0.278  1.00  0.00           N  
HETATM   43  C   UNL     1      -9.213  -1.202   0.332  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.982  -2.483   1.136  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.666  -2.123   2.589  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.644  -1.558  -1.067  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.982  -1.506  -1.412  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.378  -1.833  -2.696  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.436  -2.211  -3.634  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.098  -2.263  -3.290  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.702  -1.932  -2.007  1.00  0.00           C  
HETATM   52  H   UNL     1       8.701  -2.218  -0.861  1.00  0.00           H  
HETATM   53  H   UNL     1       9.140  -0.706  -1.691  1.00  0.00           H  
HETATM   54  H   UNL     1      10.502  -0.027   0.266  1.00  0.00           H  
HETATM   55  H   UNL     1      10.064  -1.539   1.096  1.00  0.00           H  
HETATM   56  H   UNL     1      11.116  -2.846  -0.729  1.00  0.00           H  
HETATM   57  H   UNL     1      11.555  -1.334  -1.559  1.00  0.00           H  
HETATM   58  H   UNL     1      12.917  -0.655   0.398  1.00  0.00           H  
HETATM   59  H   UNL     1      12.478  -2.167   1.228  1.00  0.00           H  
HETATM   60  H   UNL     1      13.531  -3.474  -0.597  1.00  0.00           H  
HETATM   61  H   UNL     1      13.969  -1.962  -1.427  1.00  0.00           H  
HETATM   62  H   UNL     1      15.787  -2.805  -0.095  1.00  0.00           H  
HETATM   63  H   UNL     1      15.247  -1.372   0.555  1.00  0.00           H  
HETATM   64  H   UNL     1       6.460  -0.837  -1.438  1.00  0.00           H  
HETATM   65  H   UNL     1       5.624   0.148   1.181  1.00  0.00           H  
HETATM   66  H   UNL     1       4.606   1.523  -2.144  1.00  0.00           H  
HETATM   67  H   UNL     1       5.564   3.016  -1.993  1.00  0.00           H  
HETATM   68  H   UNL     1       6.384   1.450  -2.203  1.00  0.00           H  
HETATM   69  H   UNL     1       4.366   2.296   1.473  1.00  0.00           H  
HETATM   70  H   UNL     1       4.441   3.551   0.213  1.00  0.00           H  
HETATM   71  H   UNL     1       3.450   2.094  -0.040  1.00  0.00           H  
HETATM   72  H   UNL     1       7.721   1.872  -0.135  1.00  0.00           H  
HETATM   73  H   UNL     1       6.902   3.439   0.075  1.00  0.00           H  
HETATM   74  H   UNL     1       6.897   2.247   1.397  1.00  0.00           H  
HETATM   75  H   UNL     1       3.148   0.382   1.230  1.00  0.00           H  
HETATM   76  H   UNL     1       1.759  -0.479  -1.189  1.00  0.00           H  
HETATM   77  H   UNL     1       0.765  -1.547   2.222  1.00  0.00           H  
HETATM   78  H   UNL     1       1.457  -3.183   2.112  1.00  0.00           H  
HETATM   79  H   UNL     1       2.531  -1.768   2.229  1.00  0.00           H  
HETATM   80  H   UNL     1       0.267  -2.393  -1.345  1.00  0.00           H  
HETATM   81  H   UNL     1       0.196  -3.616  -0.054  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.542  -2.015   0.194  1.00  0.00           H  
HETATM   83  H   UNL     1       3.708  -2.490   0.147  1.00  0.00           H  
HETATM   84  H   UNL     1       2.634  -3.905   0.030  1.00  0.00           H  
HETATM   85  H   UNL     1       2.780  -2.783  -1.344  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.702  -0.244  -0.862  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.243   1.588   1.411  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.004   1.941  -1.521  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.661   2.927  -0.193  1.00  0.00           H  
HETATM   90  H   UNL     1       1.249   4.872  -2.191  1.00  0.00           H  
HETATM   91  H   UNL     1       0.296   6.230  -1.546  1.00  0.00           H  
HETATM   92  H   UNL     1       1.138   5.126  -0.433  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.625   4.835  -1.420  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.599   5.628  -2.640  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.010   3.905  -2.808  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.912   1.956   1.341  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.266  -0.487   0.488  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.079  -1.022   2.769  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.305  -1.135   2.680  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.069   0.284   3.435  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.372  -0.523  -0.481  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.990  -0.607   0.812  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.880  -3.100   1.102  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.146  -3.035   0.708  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.502  -3.036   3.162  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.768  -1.506   2.623  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.502  -1.571   3.017  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.717  -1.210  -0.679  1.00  0.00           H  
HETATM  109  H   UNL     1     -12.423  -1.792  -2.965  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.745  -2.467  -4.637  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.363  -2.559  -4.023  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.656  -1.968  -1.739  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.341   1.776   0.298  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.348   1.664   3.199  1.00  0.00           H  
CONECT    1    2    4   52   53                                       
CONECT    2    1    3    3    9                                       
CONECT    3    2    2                                                 
CONECT    4    1    5   54   55                                       
CONECT    5    4    6   56   57                                       
CONECT    6    5    7   58   59                                       
CONECT    7    6    8   60   61                                       
CONECT    8    7   62   63                                            
CONECT    9    2   10   64                                            
CONECT   10    9   11   15   65                                       
CONECT   11   10   12   13   14                                       
CONECT   12   11   66   67   68                                       
CONECT   13   11   69   70   71                                       
CONECT   14   11   72   73   74                                       
CONECT   15   10   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   75                                            
CONECT   18   17   19   23   76                                       
CONECT   19   18   20   21   22                                       
CONECT   20   19   77   78   79                                       
CONECT   21   19   80   81   82                                       
CONECT   22   19   83   84   85                                       
CONECT   23   18   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   86                                            
CONECT   26   25   27   33   87                                       
CONECT   27   26   28   88   89                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   32                                            
CONECT   31   30   90   91   92                                       
CONECT   32   30   93   94   95                                       
CONECT   33   26   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   96                                            
CONECT   36   35   37   39   97                                       
CONECT   37   36   38   40  113                                       
CONECT   38   37  114                                                 
CONECT   39   36   98   99  100                                       
CONECT   40   37   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43  101                                            
CONECT   43   42   44   46  102                                       
CONECT   44   43   45  103  104                                       
CONECT   45   44  105  106  107                                       
CONECT   46   43   47   47   51                                       
CONECT   47   46   46   48  108                                       
CONECT   48   47   49   49  109                                       
CONECT   49   48   48   50  110                                       
CONECT   50   49   51   51  111                                       
CONECT   51   46   50   50  112                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   27                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   32                                                      
CONECT   95   32                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   39                                                      
CONECT  101   42                                                      
CONECT  102   43                                                      
CONECT  103   44                                                      
CONECT  104   44                                                      
CONECT  105   45                                                      
CONECT  106   45                                                      
CONECT  107   45                                                      
CONECT  108   47                                                      
CONECT  109   48                                                      
CONECT  110   49                                                      
CONECT  111   50                                                      
CONECT  112   51                                                      
CONECT  113   37                                                      
CONECT  114   38                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
