COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.972   1.868  -0.582  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.369   1.324  -0.251  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.614   2.450  -0.630  1.00  0.00           O  
HETATM    4  N   UNL     1      -5.355   0.408  -0.178  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.722   0.773  -0.556  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.891   0.618  -2.069  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.864   1.494  -2.789  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.677  -0.845  -2.459  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.302   1.053  -2.471  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.697  -0.132   0.153  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.310  -1.163   0.659  1.00  0.00           O  
HETATM   12  N   UNL     1      -9.000   0.206   0.225  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.793   1.104   1.651  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.786   0.220   2.360  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.472  -1.100   2.624  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.384  -1.911   3.274  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.609  -1.401   3.661  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.923  -0.081   3.398  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.010   0.731   2.752  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.710  -0.407  -0.233  1.00  0.00           O  
HETATM   21  C   UNL     1       0.445   2.420  -0.888  1.00  0.00           C  
HETATM   22  N   UNL     1       1.819   1.988  -0.596  1.00  0.00           N  
HETATM   23  N   UNL     1       2.077   0.767  -1.153  1.00  0.00           N  
HETATM   24  C   UNL     1       2.380  -0.282  -0.364  1.00  0.00           C  
HETATM   25  O   UNL     1       2.500  -0.126   0.833  1.00  0.00           O  
HETATM   26  C   UNL     1       2.570  -1.649  -0.968  1.00  0.00           C  
HETATM   27  C   UNL     1       1.207  -2.241  -1.332  1.00  0.00           C  
HETATM   28  C   UNL     1       1.393  -3.664  -1.860  1.00  0.00           C  
HETATM   29  C   UNL     1       0.316  -2.270  -0.088  1.00  0.00           C  
HETATM   30  C   UNL     1       0.548  -1.378  -2.410  1.00  0.00           C  
HETATM   31  N   UNL     1       3.239  -2.523  -0.001  1.00  0.00           N  
HETATM   32  C   UNL     1       3.957  -3.580  -0.431  1.00  0.00           C  
HETATM   33  O   UNL     1       4.048  -3.809  -1.620  1.00  0.00           O  
HETATM   34  O   UNL     1       4.571  -4.382   0.459  1.00  0.00           O  
HETATM   35  C   UNL     1       5.326  -5.502  -0.075  1.00  0.00           C  
HETATM   36  C   UNL     1       2.793   2.990  -1.050  1.00  0.00           C  
HETATM   37  C   UNL     1       4.177   2.572  -0.626  1.00  0.00           C  
HETATM   38  C   UNL     1       4.946   1.783  -1.462  1.00  0.00           C  
HETATM   39  C   UNL     1       6.214   1.397  -1.079  1.00  0.00           C  
HETATM   40  C   UNL     1       4.677   2.984   0.597  1.00  0.00           C  
HETATM   41  C   UNL     1       5.945   2.604   0.990  1.00  0.00           C  
HETATM   42  C   UNL     1       6.721   1.805   0.153  1.00  0.00           C  
HETATM   43  C   UNL     1       8.085   1.394   0.570  1.00  0.00           C  
HETATM   44  C   UNL     1       8.591   1.801   1.803  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.962   0.950   0.138  1.00  0.00           C  
HETATM   46  C   UNL     1       9.860   1.416   2.186  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.933  -0.629   0.986  1.00  0.00           C  
HETATM   48  C   UNL     1      10.628   0.626   1.349  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.543   1.475  -0.202  1.00  0.00           C  
HETATM   50  C   UNL     1      10.130   0.219   0.125  1.00  0.00           C  
HETATM   51  C   UNL     1       8.861   0.594  -0.266  1.00  0.00           C  
HETATM   52  H   UNL     1      -2.102   1.768  -1.659  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.155   2.901  -0.288  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.422   1.546   0.879  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.350   0.451  -0.523  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.159  -0.492   0.126  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.914   1.808  -0.273  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.409  -1.469  -1.946  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.798  -0.955  -3.537  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.672  -1.155  -2.172  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.443   2.105  -2.223  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.434   0.911  -3.544  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.035   0.451  -1.933  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.859   1.185  -2.502  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.984   1.384  -3.866  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.016   2.537  -2.510  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.320   1.003  -0.227  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.944  -1.635   0.567  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.614  -0.673   2.027  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.933  -0.200   0.930  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.966   2.143   1.932  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.781   0.814   1.935  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.515  -1.498   2.322  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.253   1.764   2.549  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.138  -2.942   3.480  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.321  -2.034   4.169  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.880   0.317   3.700  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.799  -0.578  -1.181  1.00  0.00           H  
HETATM   79  H   UNL     1       0.297   3.434  -0.516  1.00  0.00           H  
HETATM   80  H   UNL     1       0.279   2.400  -1.965  1.00  0.00           H  
HETATM   81  H   UNL     1       2.042   0.656  -2.116  1.00  0.00           H  
HETATM   82  H   UNL     1       2.754   3.069  -2.136  1.00  0.00           H  
HETATM   83  H   UNL     1       2.554   3.956  -0.606  1.00  0.00           H  
HETATM   84  H   UNL     1       3.182  -1.567  -1.867  1.00  0.00           H  
HETATM   85  H   UNL     1       3.166  -2.340   0.949  1.00  0.00           H  
HETATM   86  H   UNL     1       1.186  -1.350  -3.293  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.420  -1.805  -2.675  1.00  0.00           H  
HETATM   88  H   UNL     1       0.407  -0.366  -2.030  1.00  0.00           H  
HETATM   89  H   UNL     1       1.862  -4.279  -1.092  1.00  0.00           H  
HETATM   90  H   UNL     1       0.421  -4.086  -2.119  1.00  0.00           H  
HETATM   91  H   UNL     1       2.027  -3.643  -2.746  1.00  0.00           H  
HETATM   92  H   UNL     1       0.184  -1.256   0.289  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.655  -2.692  -0.346  1.00  0.00           H  
HETATM   94  H   UNL     1       0.786  -2.885   0.681  1.00  0.00           H  
HETATM   95  H   UNL     1       5.769  -6.066   0.745  1.00  0.00           H  
HETATM   96  H   UNL     1       4.660  -6.151  -0.644  1.00  0.00           H  
HETATM   97  H   UNL     1       6.115  -5.129  -0.728  1.00  0.00           H  
HETATM   98  H   UNL     1       4.552   1.467  -2.417  1.00  0.00           H  
HETATM   99  H   UNL     1       4.075   3.603   1.244  1.00  0.00           H  
HETATM  100  H   UNL     1       6.813   0.781  -1.733  1.00  0.00           H  
HETATM  101  H   UNL     1       6.334   2.926   1.944  1.00  0.00           H  
HETATM  102  H   UNL     1       7.992   2.418   2.457  1.00  0.00           H  
HETATM  103  H   UNL     1       8.471   0.272  -1.220  1.00  0.00           H  
HETATM  104  H   UNL     1      10.253   1.731   3.141  1.00  0.00           H  
HETATM  105  H   UNL     1      11.620   0.327   1.653  1.00  0.00           H  
HETATM  106  H   UNL     1      10.734  -0.397  -0.525  1.00  0.00           H  
CONECT    1   45   49   52   53                                       
CONECT    2    3    3    4   45                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   56                                            
CONECT    5    4    6   10   57                                       
CONECT    6    5    8    9    7                                       
CONECT    7    6   64   65   66                                       
CONECT    8    6   58   59   60                                       
CONECT    9    6   61   62   63                                       
CONECT   10    5   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   47   67                                            
CONECT   13   14   45   71   72                                       
CONECT   14   13   15   19   19                                       
CONECT   15   14   16   16   73                                       
CONECT   16   15   15   17   75                                       
CONECT   17   16   18   18   76                                       
CONECT   18   17   17   19   77                                       
CONECT   19   14   14   18   74                                       
CONECT   20   45   78                                                 
CONECT   21   22   49   79   80                                       
CONECT   22   21   23   36                                            
CONECT   23   22   24   81                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   31   84                                       
CONECT   27   26   30   28   29                                       
CONECT   28   27   89   90   91                                       
CONECT   29   27   92   93   94                                       
CONECT   30   27   86   87   88                                       
CONECT   31   26   32   85                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35                                                 
CONECT   35   34   95   96   97                                       
CONECT   36   22   37   82   83                                       
CONECT   37   36   38   40   40                                       
CONECT   38   37   39   39   98                                       
CONECT   39   38   38   42  100                                       
CONECT   40   37   37   41   99                                       
CONECT   41   40   42   42  101                                       
CONECT   42   39   41   41   43                                       
CONECT   43   42   44   51   51                                       
CONECT   44   43   46   46  102                                       
CONECT   45    1    2   13   20                                       
CONECT   46   44   44   48  104                                       
CONECT   47   12   68   69   70                                       
CONECT   48   46   50   50  105                                       
CONECT   49    1   21   54   55                                       
CONECT   50   48   48   51  106                                       
CONECT   51   43   43   50  103                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54   49                                                      
CONECT   55   49                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67   12                                                      
CONECT   68   47                                                      
CONECT   69   47                                                      
CONECT   70   47                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   15                                                      
CONECT   74   19                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   23                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   26                                                      
CONECT   85   31                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   38                                                      
CONECT   99   40                                                      
CONECT  100   39                                                      
CONECT  101   41                                                      
CONECT  102   44                                                      
CONECT  103   51                                                      
CONECT  104   46                                                      
CONECT  105   48                                                      
CONECT  106   50                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
