COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.240  -1.606   0.252  1.00  0.00           C  
HETATM    2  N   UNL     1       2.360  -1.024  -1.201  1.00  0.00           N  
HETATM    3  O   UNL     1       3.969  -1.477   2.623  1.00  0.00           O  
HETATM    4  C   UNL     1       4.751  -1.748   1.548  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.257  -1.603  -1.123  1.00  0.00           N  
HETATM    6  O   UNL     1       6.568  -2.310   2.983  1.00  0.00           O  
HETATM    7  C   UNL     1       6.065  -2.169   1.727  1.00  0.00           C  
HETATM    8  O   UNL     1       2.142  -0.915   1.007  1.00  0.00           O  
HETATM    9  C   UNL     1       6.860  -2.445   0.627  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.669   1.584   0.832  1.00  0.00           N  
HETATM   11  C   UNL     1       6.354  -2.305  -0.654  1.00  0.00           C  
HETATM   12  C   UNL     1       5.053  -1.894  -0.848  1.00  0.00           C  
HETATM   13  O   UNL     1       0.443  -2.306   0.117  1.00  0.00           O  
HETATM   14  C   UNL     1       2.849  -1.160   0.048  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.829  -4.917  -0.766  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.956   2.703   0.014  1.00  0.00           O  
HETATM   17  O   UNL     1      -7.413   0.023   2.222  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.319  -4.028  -2.113  1.00  0.00           O  
HETATM   19  C   UNL     1       0.978  -0.581  -1.402  1.00  0.00           C  
HETATM   20  C   UNL     1       0.790   0.804  -0.779  1.00  0.00           C  
HETATM   21  C   UNL     1       0.037  -1.559  -0.748  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.172  -2.553  -0.486  1.00  0.00           C  
HETATM   23  C   UNL     1       1.655   1.821  -1.527  1.00  0.00           C  
HETATM   24  C   UNL     1       1.467   3.206  -0.904  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.075  -3.886  -1.181  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.606  -2.027  -0.589  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.734  -0.736   0.222  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.168  -0.211   0.120  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.297   1.081   0.930  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.659   0.981   1.521  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.070   1.499   1.420  1.00  0.00           C  
HETATM   32  H   UNL     1       2.924  -1.219  -1.965  1.00  0.00           H  
HETATM   33  H   UNL     1       3.471  -2.239   2.949  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.582  -1.005  -1.814  1.00  0.00           H  
HETATM   35  H   UNL     1       6.443  -3.192   3.360  1.00  0.00           H  
HETATM   36  H   UNL     1       6.982  -2.522  -1.506  1.00  0.00           H  
HETATM   37  H   UNL     1       4.665  -1.786  -1.850  1.00  0.00           H  
HETATM   38  C   UNL     1      -2.684  -6.171  -1.482  1.00  0.00           C  
HETATM   39  H   UNL     1      -7.888   2.961   0.013  1.00  0.00           H  
HETATM   40  H   UNL     1       0.765  -0.531  -2.470  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.258   1.095  -0.851  1.00  0.00           H  
HETATM   42  H   UNL     1       1.088   0.774   0.269  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.903  -2.670   0.563  1.00  0.00           H  
HETATM   44  H   UNL     1       2.703   1.530  -1.455  1.00  0.00           H  
HETATM   45  H   UNL     1       1.357   1.851  -2.575  1.00  0.00           H  
HETATM   46  C   UNL     1       2.331   4.223  -1.651  1.00  0.00           C  
HETATM   47  H   UNL     1       0.419   3.497  -0.975  1.00  0.00           H  
HETATM   48  H   UNL     1       1.765   3.176   0.144  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.845  -1.826  -1.633  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.295  -2.774  -0.195  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.495  -0.937   1.266  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.045   0.010  -0.171  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.407  -0.009  -0.925  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.858  -0.957   0.513  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.607   1.827   0.537  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.057   0.879   1.974  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.726   0.890   2.042  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.103   2.533   1.762  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.403   1.449   0.383  1.00  0.00           H  
HETATM   60  N   UNL     1       2.151   5.549  -1.055  1.00  0.00           N  
HETATM   61  C   UNL     1       2.727   5.839   0.129  1.00  0.00           C  
HETATM   62  O   UNL     1       1.372   6.525  -1.722  1.00  0.00           O  
HETATM   63  O   UNL     1       3.394   5.002   0.700  1.00  0.00           O  
HETATM   64  C   UNL     1       2.541   7.203   0.743  1.00  0.00           C  
HETATM   65  H   UNL     1      -2.943  -6.023  -2.530  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.652  -6.514  -1.408  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.347  -6.918  -1.046  1.00  0.00           H  
HETATM   68  H   UNL     1       3.379   3.931  -1.580  1.00  0.00           H  
HETATM   69  H   UNL     1       2.033   4.253  -2.699  1.00  0.00           H  
HETATM   70  H   UNL     1       1.311   7.368  -1.251  1.00  0.00           H  
HETATM   71  H   UNL     1       1.658   7.197   1.381  1.00  0.00           H  
HETATM   72  H   UNL     1       3.418   7.455   1.339  1.00  0.00           H  
HETATM   73  H   UNL     1       2.414   7.943  -0.047  1.00  0.00           H  
HETATM   74  H   UNL     1       7.879  -2.772   0.770  1.00  0.00           H  
CONECT    1   14    4   12   12                                       
CONECT    2   19   32   14                                            
CONECT    3   33    4                                                 
CONECT    4    1    3    7    7                                       
CONECT    5   22   34   21                                            
CONECT    6    7   35                                                 
CONECT    7    6    4    4    9                                       
CONECT    8   14   14                                                 
CONECT    9    7   11   11   74                                       
CONECT   10   29   16   30                                            
CONECT   11    9    9   12   36                                       
CONECT   12   11    1    1   37                                       
CONECT   13   21   21                                                 
CONECT   14    1    2    8    8                                       
CONECT   15   38   25                                                 
CONECT   16   10   39                                                 
CONECT   17   30   30                                                 
CONECT   18   25   25                                                 
CONECT   19    2   20   40   21                                       
CONECT   20   19   23   41   42                                       
CONECT   21   13   13    5   19                                       
CONECT   22    5   25   43   26                                       
CONECT   23   20   24   44   45                                       
CONECT   24   23   46   47   48                                       
CONECT   25   22   15   18   18                                       
CONECT   26   22   49   50   27                                       
CONECT   27   26   51   52   28                                       
CONECT   28   27   53   54   29                                       
CONECT   29   10   28   55   56                                       
CONECT   30   17   17   10   31                                       
CONECT   31   30   57   58   59                                       
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15   65   66   67                                       
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24   60   68   69                                       
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   46   61   62                                            
CONECT   61   60   63   63   64                                       
CONECT   62   60   70                                                 
CONECT   63   61   61                                                 
CONECT   64   61   71   72   73                                       
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   46                                                      
CONECT   69   46                                                      
CONECT   70   62                                                      
CONECT   71   64                                                      
CONECT   72   64                                                      
CONECT   73   64                                                      
CONECT   74    9                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
