COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.798   1.204  -0.378  1.00  0.00           C  
HETATM    2  O   UNL     1       4.925   1.782  -1.440  1.00  0.00           O  
HETATM    3  O   UNL     1       5.878   0.701   0.248  1.00  0.00           O  
HETATM    4  C   UNL     1       7.163   0.885  -0.402  1.00  0.00           C  
HETATM    5  C   UNL     1       8.245   0.260   0.439  1.00  0.00           C  
HETATM    6  C   UNL     1       8.892   1.011   1.402  1.00  0.00           C  
HETATM    7  C   UNL     1       9.882   0.436   2.178  1.00  0.00           C  
HETATM    8  C   UNL     1      10.232  -0.887   1.982  1.00  0.00           C  
HETATM    9  C   UNL     1       9.590  -1.636   1.015  1.00  0.00           C  
HETATM   10  C   UNL     1       8.596  -1.063   0.243  1.00  0.00           C  
HETATM   11  N   UNL     1       3.575   1.068   0.172  1.00  0.00           N  
HETATM   12  C   UNL     1       2.400   1.617  -0.510  1.00  0.00           C  
HETATM   13  C   UNL     1       1.315   1.889   0.500  1.00  0.00           C  
HETATM   14  O   UNL     1       1.505   1.649   1.673  1.00  0.00           O  
HETATM   15  C   UNL     1       1.893   0.608  -1.543  1.00  0.00           C  
HETATM   16  C   UNL     1       2.947   0.426  -2.637  1.00  0.00           C  
HETATM   17  C   UNL     1       2.448  -0.567  -3.655  1.00  0.00           C  
HETATM   18  O   UNL     1       1.360  -1.077  -3.519  1.00  0.00           O  
HETATM   19  O   UNL     1       3.211  -0.886  -4.712  1.00  0.00           O  
HETATM   20  N   UNL     1       0.134   2.400   0.099  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.921   2.665   1.081  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.264   2.629   0.397  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.331   2.691  -0.812  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.702   4.045   1.704  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.731   4.273   2.813  1.00  0.00           C  
HETATM   26  C   UNL     1       0.708   4.122   2.292  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.390   2.527   1.130  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.642   2.612   0.507  1.00  0.00           N  
HETATM   29  O   UNL     1      -5.811  -2.938   1.685  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.462   1.572  -0.220  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.181   5.231  -2.029  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.209   3.247  -1.999  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.071  -0.704   1.210  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.856   0.163   0.783  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.149   3.911   0.057  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.306  -2.275   0.804  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.379   1.499   0.320  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.812   4.105  -1.399  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.879  -0.926   0.454  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.897  -5.696  -0.067  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.357  -6.831  -0.710  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.832  -8.068  -0.388  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.846  -8.171   0.576  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.390  -7.038   1.222  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.911  -5.799   0.896  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.470  -4.347  -0.418  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.675  -4.056   0.480  1.00  0.00           C  
HETATM   48  N   UNL     1      -4.232  -2.744   0.139  1.00  0.00           N  
HETATM   49  H   UNL     1       7.145   0.409  -1.383  1.00  0.00           H  
HETATM   50  H   UNL     1       7.362   1.950  -0.518  1.00  0.00           H  
HETATM   51  H   UNL     1       8.621   2.046   1.552  1.00  0.00           H  
HETATM   52  H   UNL     1      10.384   1.022   2.934  1.00  0.00           H  
HETATM   53  H   UNL     1      11.008  -1.334   2.586  1.00  0.00           H  
HETATM   54  H   UNL     1       9.863  -2.670   0.862  1.00  0.00           H  
HETATM   55  H   UNL     1       8.094  -1.649  -0.512  1.00  0.00           H  
HETATM   56  H   UNL     1       3.472   0.604   1.017  1.00  0.00           H  
HETATM   57  H   UNL     1       2.671   2.545  -1.012  1.00  0.00           H  
HETATM   58  H   UNL     1       1.706  -0.349  -1.056  1.00  0.00           H  
HETATM   59  H   UNL     1       0.968   0.977  -1.987  1.00  0.00           H  
HETATM   60  H   UNL     1       3.134   1.382  -3.125  1.00  0.00           H  
HETATM   61  H   UNL     1       3.871   0.057  -2.193  1.00  0.00           H  
HETATM   62  H   UNL     1       2.848  -1.528  -5.338  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.018   2.592  -0.840  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.890   1.905   1.861  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.819   4.812   0.938  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.677   3.455   3.532  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.518   5.215   3.318  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.730   4.310   2.380  1.00  0.00           H  
HETATM   69  H   UNL     1       1.441   3.960   1.501  1.00  0.00           H  
HETATM   70  H   UNL     1       0.863   5.105   2.736  1.00  0.00           H  
HETATM   71  H   UNL     1       0.824   3.355   3.058  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.334   2.396   2.090  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.942   5.311  -2.963  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.938  -0.718   2.167  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.917  -0.055   0.276  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.689   0.192   1.860  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.231   3.942   0.186  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.690   4.704   0.646  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.112  -0.896  -0.610  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.127  -6.750  -1.463  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.192  -8.954  -0.890  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.436  -9.138   0.826  1.00  0.00           H  
HETATM   83  H   UNL     1       0.380  -7.118   1.974  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.552  -4.913   1.398  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.786  -4.346  -1.461  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.711  -3.580  -0.267  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.359  -4.057   1.523  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.434  -4.823   0.329  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.828  -2.214  -0.565  1.00  0.00           H  
CONECT    1   11    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    5    3   49   50                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   51                                       
CONECT    7    8    8    6   52                                       
CONECT    8    9    7    7   53                                       
CONECT    9   10   10    8   54                                       
CONECT   10    5    9    9   55                                       
CONECT   11    1   12   56                                            
CONECT   12   11   13   15   57                                       
CONECT   13   12   14   14   20                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   58   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   18   18   19   16                                       
CONECT   18   17   17                                                 
CONECT   19   17   62                                                 
CONECT   20   13   21   63                                            
CONECT   21   22   20   24   64                                       
CONECT   22   23   23   21   27                                       
CONECT   23   22   22                                                 
CONECT   24   21   26   25   65                                       
CONECT   25   24   66   67   68                                       
CONECT   26   24   69   70   71                                       
CONECT   27   22   28   72                                            
CONECT   28   27   35   37                                            
CONECT   29   36   36                                                 
CONECT   30   37   37                                                 
CONECT   31   38   73                                                 
CONECT   32   38   38                                                 
CONECT   33   39   74                                                 
CONECT   34   37   39   75   76                                       
CONECT   35   28   38   77   78                                       
CONECT   36   29   29   48   39                                       
CONECT   37   28   30   30   34                                       
CONECT   38   31   32   32   35                                       
CONECT   39   33   34   36   79                                       
CONECT   40   41   46   45   45                                       
CONECT   41   42   42   40   80                                       
CONECT   42   43   41   41   81                                       
CONECT   43   44   44   42   82                                       
CONECT   44   43   43   45   83                                       
CONECT   45   40   40   44   84                                       
CONECT   46   47   40   85   86                                       
CONECT   47   48   46   87   88                                       
CONECT   48   36   47   89                                            
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
