COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.739   0.510  -0.230  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.371   0.268   0.354  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.411   0.508   1.864  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.129   0.776  -0.252  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.692  -3.083   0.462  1.00  0.00           C  
HETATM    6  C   UNL     1       2.523  -2.004  -0.479  1.00  0.00           C  
HETATM    7  C   UNL     1       3.052  -0.769  -0.238  1.00  0.00           C  
HETATM    8  C   UNL     1       0.908  -0.521  -0.327  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.481  -0.016  -0.304  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.185   1.546  -0.920  1.00  0.00           C  
HETATM   11  C   UNL     1       6.642  -0.678   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1       4.284   2.027   0.310  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.770  -0.285   0.117  1.00  0.00           N  
HETATM   14  O   UNL     1      -6.912   1.423  -1.010  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.432   1.162  -0.246  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.753  -0.389   0.404  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.431  -0.783   0.399  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.996  -1.848   1.110  1.00  0.00           O  
HETATM   19  C   UNL     1       0.137  -2.843  -0.803  1.00  0.00           C  
HETATM   20  N   UNL     1       1.177  -1.849  -0.543  1.00  0.00           N  
HETATM   21  N   UNL     1       2.033   0.115  -0.153  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.862   1.152  -0.948  1.00  0.00           C  
HETATM   23  C   UNL     1       4.490  -0.453  -0.095  1.00  0.00           C  
HETATM   24  N   UNL     1       5.486  -1.312  -0.179  1.00  0.00           N  
HETATM   25  N   UNL     1       6.410   0.593   0.199  1.00  0.00           N  
HETATM   26  N   UNL     1       5.018   0.770   0.143  1.00  0.00           N  
HETATM   27  C   UNL     1       4.576   2.608   1.695  1.00  0.00           C  
HETATM   28  C   UNL     1       4.727   3.022  -0.764  1.00  0.00           C  
HETATM   29  H   UNL     1      -5.069  -0.761   0.158  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.422   0.333   2.287  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.713   1.537   2.060  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.128  -0.174   2.322  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.127  -3.718   1.146  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.621  -3.585   0.192  1.00  0.00           H  
HETATM   35  H   UNL     1       3.071  -2.927  -0.596  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.487   2.455  -1.418  1.00  0.00           H  
HETATM   37  H   UNL     1       7.618  -1.141  -0.014  1.00  0.00           H  
HETATM   38  H   UNL     1       3.215   1.839   0.213  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.652  -0.127  -0.256  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.631  -1.015   0.740  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.494  -0.985   0.916  1.00  0.00           H  
HETATM   42  H   UNL     1       0.601  -3.779  -1.113  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.515  -2.482  -1.598  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.127   1.751  -1.466  1.00  0.00           H  
HETATM   45  H   UNL     1       5.645   2.795   1.793  1.00  0.00           H  
HETATM   46  H   UNL     1       4.030   3.543   1.819  1.00  0.00           H  
HETATM   47  H   UNL     1       4.260   1.898   2.460  1.00  0.00           H  
HETATM   48  H   UNL     1       4.519   2.609  -1.751  1.00  0.00           H  
HETATM   49  H   UNL     1       4.181   3.958  -0.640  1.00  0.00           H  
HETATM   50  H   UNL     1       5.796   3.210  -0.667  1.00  0.00           H  
CONECT    1   13   14   14    2                                       
CONECT    2    1   15    3   29                                       
CONECT    3    2   30   31   32                                       
CONECT    4   10   10   16   15                                       
CONECT    5   19   18   33   34                                       
CONECT    6    7    7   20   35                                       
CONECT    7   23    6    6   21                                       
CONECT    8   20   21   21    9                                       
CONECT    9    8   22   22   17                                       
CONECT   10   22    4    4   36                                       
CONECT   11   24   25   25   37                                       
CONECT   12   26   28   27   38                                       
CONECT   13    1   39   40                                            
CONECT   14    1    1                                                 
CONECT   15    4    2                                                 
CONECT   16   17   17    4   41                                       
CONECT   17    9   18   16   16                                       
CONECT   18    5   17                                                 
CONECT   19   20    5   42   43                                       
CONECT   20    6   19    8                                            
CONECT   21    7    8    8                                            
CONECT   22    9    9   10   44                                       
CONECT   23   24   24   26    7                                       
CONECT   24   11   23   23                                            
CONECT   25   11   11   26                                            
CONECT   26   25   23   12                                            
CONECT   27   12   45   46   47                                       
CONECT   28   12   48   49   50                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
