COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.538   1.546  -0.399  1.00  0.00           C  
HETATM    2  C   UNL     1       0.345   2.312  -0.507  1.00  0.00           C  
HETATM    3  C   UNL     1       1.453   3.272  -0.643  1.00  0.00           C  
HETATM    4  O   UNL     1       1.128   4.498   0.015  1.00  0.00           O  
HETATM    5  C   UNL     1       1.758   3.531  -2.140  1.00  0.00           C  
HETATM    6  C   UNL     1       3.193   2.996  -2.393  1.00  0.00           C  
HETATM    7  C   UNL     1       3.373   1.955  -1.283  1.00  0.00           C  
HETATM    8  C   UNL     1       4.801   1.639  -0.891  1.00  0.00           C  
HETATM    9  C   UNL     1       5.573   0.982  -2.036  1.00  0.00           C  
HETATM   10  C   UNL     1       7.041   0.876  -1.622  1.00  0.00           C  
HETATM   11  C   UNL     1       2.735   2.685  -0.065  1.00  0.00           C  
HETATM   12  C   UNL     1       3.656   3.817   0.395  1.00  0.00           C  
HETATM   13  C   UNL     1       2.582   1.681   1.059  1.00  0.00           C  
HETATM   14  C   UNL     1       3.993   1.220   1.470  1.00  0.00           C  
HETATM   15  C   UNL     1       4.738   0.638   0.269  1.00  0.00           C  
HETATM   16  C   UNL     1       6.120   0.183   0.636  1.00  0.00           C  
HETATM   17  C   UNL     1       6.320  -0.360   1.898  1.00  0.00           C  
HETATM   18  C   UNL     1       7.179   0.288  -0.242  1.00  0.00           C  
HETATM   19  C   UNL     1       8.435  -0.159   0.144  1.00  0.00           C  
HETATM   20  C   UNL     1       8.634  -0.703   1.400  1.00  0.00           C  
HETATM   21  O   UNL     1       9.868  -1.138   1.768  1.00  0.00           O  
HETATM   22  C   UNL     1       7.568  -0.801   2.283  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.616   0.613  -0.266  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.533  -0.666  -0.831  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.778   0.951   0.436  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.594  -1.534  -0.678  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.791   0.020   0.539  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.675  -1.173  -0.013  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.519  -2.913  -1.281  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.048   0.370   1.293  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.052  -3.866  -0.265  1.00  0.00           N  
HETATM   32  N   UNL     1      -6.064   0.859   0.351  1.00  0.00           N  
HETATM   33  O   UNL     1      -1.658  -5.790   1.473  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.130  -3.894  -2.050  1.00  0.00           O  
HETATM   35  O   UNL     1      -9.738   1.172   0.247  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.446   4.472   0.766  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.093  -5.242  -0.777  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.704  -3.518   0.204  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.397   0.858   0.967  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.717   2.195  -0.151  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.847  -6.207   0.355  1.00  0.00           C  
HETATM   42  C   UNL     1       0.269  -3.624  -0.942  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.439   1.126  -0.088  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.700   3.174   0.995  1.00  0.00           C  
HETATM   45  O   UNL     1      -1.839  -7.528   0.121  1.00  0.00           O  
HETATM   46  O   UNL     1       1.579  -3.419  -0.731  1.00  0.00           O  
HETATM   47  O   UNL     1      -8.105   1.300  -1.236  1.00  0.00           O  
HETATM   48  O   UNL     1      -5.916   2.790   2.120  1.00  0.00           O  
HETATM   49  H   UNL     1       0.332   4.929  -0.325  1.00  0.00           H  
HETATM   50  H   UNL     1       1.043   2.997  -2.766  1.00  0.00           H  
HETATM   51  H   UNL     1       1.714   4.600  -2.351  1.00  0.00           H  
HETATM   52  H   UNL     1       3.263   2.527  -3.375  1.00  0.00           H  
HETATM   53  H   UNL     1       3.927   3.796  -2.294  1.00  0.00           H  
HETATM   54  H   UNL     1       2.833   1.039  -1.527  1.00  0.00           H  
HETATM   55  H   UNL     1       5.304   2.550  -0.565  1.00  0.00           H  
HETATM   56  H   UNL     1       5.172  -0.013  -2.226  1.00  0.00           H  
HETATM   57  H   UNL     1       5.488   1.592  -2.935  1.00  0.00           H  
HETATM   58  H   UNL     1       7.568   0.242  -2.335  1.00  0.00           H  
HETATM   59  H   UNL     1       7.487   1.871  -1.633  1.00  0.00           H  
HETATM   60  H   UNL     1       3.161   4.392   1.178  1.00  0.00           H  
HETATM   61  H   UNL     1       4.583   3.395   0.785  1.00  0.00           H  
HETATM   62  H   UNL     1       3.880   4.469  -0.449  1.00  0.00           H  
HETATM   63  H   UNL     1       2.084   2.150   1.908  1.00  0.00           H  
HETATM   64  H   UNL     1       1.999   0.827   0.714  1.00  0.00           H  
HETATM   65  H   UNL     1       4.550   2.072   1.860  1.00  0.00           H  
HETATM   66  H   UNL     1       3.910   0.459   2.246  1.00  0.00           H  
HETATM   67  H   UNL     1       4.177  -0.233  -0.070  1.00  0.00           H  
HETATM   68  H   UNL     1       5.490  -0.437   2.585  1.00  0.00           H  
HETATM   69  H   UNL     1       9.265  -0.081  -0.543  1.00  0.00           H  
HETATM   70  H   UNL     1      10.413  -0.461   2.193  1.00  0.00           H  
HETATM   71  H   UNL     1       7.715  -1.222   3.267  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.652  -0.968  -1.377  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.880   1.925   0.891  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.506  -3.211  -1.632  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.822  -2.905  -2.119  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.424  -0.516   1.805  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.828   1.147   2.025  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.369   1.347  -0.465  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.446   5.061   1.533  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.071  -5.438  -1.215  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.322  -5.370  -1.537  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.705  -2.498   0.587  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.407  -4.204   0.997  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.585  -0.113   1.425  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.445   1.635   1.731  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.732   2.164  -0.616  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.457   2.510  -0.887  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.677  -8.107   0.878  1.00  0.00           H  
HETATM   89  H   UNL     1       2.164  -3.498  -1.496  1.00  0.00           H  
CONECT    1   23    2    2    2                                       
CONECT    2    1    1    1    3                                       
CONECT    3    2    5    4   11                                       
CONECT    4    3   49                                                 
CONECT    5    6    3   50   51                                       
CONECT    6    5    7   52   53                                       
CONECT    7    6    8   11   54                                       
CONECT    8    9    7   15   55                                       
CONECT    9   10    8   56   57                                       
CONECT   10    9   18   58   59                                       
CONECT   11    7    3   13   12                                       
CONECT   12   11   60   61   62                                       
CONECT   13   11   14   63   64                                       
CONECT   14   15   13   65   66                                       
CONECT   15    8   16   14   67                                       
CONECT   16   15   18   18   17                                       
CONECT   17   16   22   22   68                                       
CONECT   18   10   16   16   19                                       
CONECT   19   18   20   20   69                                       
CONECT   20   19   19   22   21                                       
CONECT   21   20   70                                                 
CONECT   22   17   17   20   71                                       
CONECT   23   25   25   24    1                                       
CONECT   24   26   26   23   72                                       
CONECT   25   27   23   23   73                                       
CONECT   26   28   29   24   24                                       
CONECT   27   30   28   28   25                                       
CONECT   28   27   27   26                                            
CONECT   29   31   26   74   75                                       
CONECT   30   32   27   76   77                                       
CONECT   31   38   37   29                                            
CONECT   32   39   40   30                                            
CONECT   33   41   41                                                 
CONECT   34   42   42                                                 
CONECT   35   43   78                                                 
CONECT   36   44   79                                                 
CONECT   37   31   41   80   81                                       
CONECT   38   42   31   82   83                                       
CONECT   39   43   32   84   85                                       
CONECT   40   44   32   86   87                                       
CONECT   41   33   33   37   45                                       
CONECT   42   34   34   46   38                                       
CONECT   43   47   47   35   39                                       
CONECT   44   48   48   36   40                                       
CONECT   45   41   88                                                 
CONECT   46   42   89                                                 
CONECT   47   43   43                                                 
CONECT   48   44   44                                                 
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   17                                                      
CONECT   69   19                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
