COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.138  -4.517  -1.130  1.00  0.00           O  
HETATM    2  C   UNL     1       4.267  -4.915  -1.318  1.00  0.00           C  
HETATM    3  N   UNL     1       4.474  -6.060  -1.999  1.00  0.00           N  
HETATM    4  C   UNL     1       5.441  -4.127  -0.797  1.00  0.00           C  
HETATM    5  C   UNL     1       4.934  -2.880  -0.068  1.00  0.00           C  
HETATM    6  C   UNL     1       6.320  -3.719  -1.946  1.00  0.00           C  
HETATM    7  C   UNL     1       6.830  -2.531  -2.057  1.00  0.00           C  
HETATM    8  C   UNL     1       6.593  -1.436  -1.057  1.00  0.00           C  
HETATM    9  N   UNL     1       6.081  -1.997   0.199  1.00  0.00           N  
HETATM   10  C   UNL     1       5.715  -0.930   1.141  1.00  0.00           C  
HETATM   11  O   UNL     1       4.751  -0.038   0.541  1.00  0.00           O  
HETATM   12  C   UNL     1       6.940  -0.040   1.447  1.00  0.00           C  
HETATM   13  O   UNL     1       7.547  -0.429   2.681  1.00  0.00           O  
HETATM   14  C   UNL     1       6.351   1.385   1.555  1.00  0.00           C  
HETATM   15  O   UNL     1       6.575   1.921   2.861  1.00  0.00           O  
HETATM   16  C   UNL     1       4.840   1.186   1.303  1.00  0.00           C  
HETATM   17  C   UNL     1       4.277   2.358   0.495  1.00  0.00           C  
HETATM   18  O   UNL     1       2.861   2.214   0.372  1.00  0.00           O  
HETATM   19  P   UNL     1       1.937   3.270  -0.417  1.00  0.00           P  
HETATM   20  O   UNL     1       2.158   4.627   0.132  1.00  0.00           O  
HETATM   21  O   UNL     1       2.322   3.256  -1.981  1.00  0.00           O  
HETATM   22  O   UNL     1       0.389   2.866  -0.242  1.00  0.00           O  
HETATM   23  P   UNL     1      -1.003   3.632  -0.499  1.00  0.00           P  
HETATM   24  O   UNL     1      -0.951   4.326  -1.806  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.246   4.711   0.671  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.210   2.566  -0.506  1.00  0.00           O  
HETATM   27  H   UNL     1       3.718  -6.566  -2.338  1.00  0.00           H  
HETATM   28  H   UNL     1       5.378  -6.379  -2.150  1.00  0.00           H  
HETATM   29  H   UNL     1       6.013  -4.744  -0.104  1.00  0.00           H  
HETATM   30  H   UNL     1       4.208  -2.360  -0.693  1.00  0.00           H  
HETATM   31  H   UNL     1       4.468  -3.171   0.874  1.00  0.00           H  
HETATM   32  H   UNL     1       6.537  -4.448  -2.714  1.00  0.00           H  
HETATM   33  H   UNL     1       7.457  -2.319  -2.911  1.00  0.00           H  
HETATM   34  H   UNL     1       7.530  -0.914  -0.864  1.00  0.00           H  
HETATM   35  H   UNL     1       5.864  -0.732  -1.459  1.00  0.00           H  
HETATM   36  H   UNL     1       5.316  -1.357   2.061  1.00  0.00           H  
HETATM   37  H   UNL     1       7.664  -0.093   0.633  1.00  0.00           H  
HETATM   38  H   UNL     1       8.322   0.098   2.921  1.00  0.00           H  
HETATM   39  H   UNL     1       6.784   2.036   0.795  1.00  0.00           H  
HETATM   40  H   UNL     1       7.507   2.065   3.073  1.00  0.00           H  
HETATM   41  H   UNL     1       4.307   1.087   2.248  1.00  0.00           H  
HETATM   42  H   UNL     1       4.504   3.293   1.006  1.00  0.00           H  
HETATM   43  H   UNL     1       4.729   2.366  -0.497  1.00  0.00           H  
HETATM   44  H   UNL     1       2.202   2.396  -2.408  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.292   4.326   1.557  1.00  0.00           H  
HETATM   46  C   UNL     1      -3.560   2.921  -0.813  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.445   1.676  -0.728  1.00  0.00           C  
HETATM   48  O   UNL     1      -4.521   1.197   0.632  1.00  0.00           O  
HETATM   49  C   UNL     1      -5.711   0.396   0.729  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.695   0.907  -0.340  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.916   2.028  -1.069  1.00  0.00           C  
HETATM   52  N   UNL     1      -5.387  -1.010   0.477  1.00  0.00           N  
HETATM   53  C   UNL     1      -6.105  -2.098   0.905  1.00  0.00           C  
HETATM   54  C   UNL     1      -5.419  -3.227   0.428  1.00  0.00           C  
HETATM   55  N   UNL     1      -4.338  -2.779  -0.253  1.00  0.00           N  
HETATM   56  C   UNL     1      -4.320  -1.478  -0.230  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.944  -4.497   0.726  1.00  0.00           C  
HETATM   58  N   UNL     1      -7.060  -4.568   1.443  1.00  0.00           N  
HETATM   59  C   UNL     1      -7.670  -3.477   1.869  1.00  0.00           C  
HETATM   60  N   UNL     1      -7.216  -2.269   1.615  1.00  0.00           N  
HETATM   61  O   UNL     1      -7.033  -0.141  -1.251  1.00  0.00           O  
HETATM   62  O   UNL     1      -6.266   3.313  -0.551  1.00  0.00           O  
HETATM   63  H   UNL     1      -3.911   3.666  -0.099  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.607   3.333  -1.821  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.072   0.895  -1.390  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.150   0.506   1.721  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.593   1.310   0.129  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.087   1.985  -2.145  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.567  -0.860  -0.697  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.576  -3.581   2.449  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.651   0.125  -1.945  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.199   3.540  -0.660  1.00  0.00           H  
HETATM   73  N   UNL     1      -5.312  -5.645   0.283  1.00  0.00           N  
HETATM   74  H   UNL     1      -4.497  -5.580  -0.240  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.683  -6.516   0.495  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   27   28                                            
CONECT    4    5    2    6   29                                       
CONECT    5    9    4   30   31                                       
CONECT    6    4    7    7   32                                       
CONECT    7    8    6    6   33                                       
CONECT    8    9    7   34   35                                       
CONECT    9   10    5    8                                            
CONECT   10   12   11    9   36                                       
CONECT   11   16   10                                                 
CONECT   12   13   14   10   37                                       
CONECT   13   12   38                                                 
CONECT   14   15   16   12   39                                       
CONECT   15   14   40                                                 
CONECT   16   14   17   11   41                                       
CONECT   17   16   18   42   43                                       
CONECT   18   17   19                                                 
CONECT   19   20   20   18   21                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19   44                                                 
CONECT   22   19   23                                                 
CONECT   23   24   24   22   26                                       
CONECT   23   25                                                      
CONECT   24   23   23                                                 
CONECT   25   23   45                                                 
CONECT   26   23   46                                                 
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   26   47   63   64                                       
CONECT   47   46   48   51   65                                       
CONECT   48   47   49                                                 
CONECT   49   48   50   52   66                                       
CONECT   50   49   51   61   67                                       
CONECT   51   50   47   62   68                                       
CONECT   52   49   53   56                                            
CONECT   53   52   54   54   60                                       
CONECT   54   53   53   55   57                                       
CONECT   55   54   56   56                                            
CONECT   56   55   55   52   69                                       
CONECT   57   54   58   58   73                                       
CONECT   58   57   57   59                                            
CONECT   59   58   60   60   70                                       
CONECT   60   59   59   53                                            
CONECT   61   50   71                                                 
CONECT   62   51   72                                                 
CONECT   63   46                                                      
CONECT   64   46                                                      
CONECT   65   47                                                      
CONECT   66   49                                                      
CONECT   67   50                                                      
CONECT   68   51                                                      
CONECT   69   56                                                      
CONECT   70   59                                                      
CONECT   71   61                                                      
CONECT   72   62                                                      
CONECT   73   57   74   75                                            
CONECT   74   73                                                      
CONECT   75   73                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
