COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.293   1.605   0.091  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.415   1.563  -1.428  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.646   0.365   0.053  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.398  -0.813   0.029  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.945  -3.042   0.958  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.576  -2.025   0.006  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.998  -1.785   0.417  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.535  -0.588   0.451  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.556  -2.589  -1.416  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.497   1.791  -0.225  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.332   2.245   0.975  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.806   0.542   0.106  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.668   1.658   0.107  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.776  -0.752   0.043  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.413   0.484   0.079  1.00  0.00           C  
HETATM   16  C   UNL     1       0.785   0.303   0.038  1.00  0.00           C  
HETATM   17  C   UNL     1       1.958   0.252   0.025  1.00  0.00           C  
HETATM   18  C   UNL     1       3.388   0.189   0.010  1.00  0.00           C  
HETATM   19  C   UNL     1       4.035  -1.052  -0.028  1.00  0.00           C  
HETATM   20  C   UNL     1       5.398  -1.111  -0.043  1.00  0.00           C  
HETATM   21  C   UNL     1       6.150   0.069  -0.019  1.00  0.00           C  
HETATM   22  C   UNL     1       5.505   1.309   0.020  1.00  0.00           C  
HETATM   23  C   UNL     1       4.141   1.370   0.027  1.00  0.00           C  
HETATM   24  C   UNL     1       7.623   0.005  -0.034  1.00  0.00           C  
HETATM   25  O   UNL     1       8.184  -1.073  -0.067  1.00  0.00           O  
HETATM   26  O   UNL     1       8.347   1.141  -0.011  1.00  0.00           O  
HETATM   27  H   UNL     1      -0.715   2.517   0.112  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.929   2.493  -1.673  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.820   1.240  -2.282  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.149   0.795  -1.184  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.901  -1.771  -0.001  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.915  -3.234   0.655  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.956  -2.646   1.974  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.512  -3.972   0.925  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.606  -2.633   0.697  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.567  -0.480   0.751  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.122  -3.520  -1.445  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.005  -1.869  -2.099  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.526  -2.781  -1.715  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.763   2.559  -0.468  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.678   2.407   1.832  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.846   3.174   0.729  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.066   1.477   1.218  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.170   2.614   0.141  1.00  0.00           H  
HETATM   45  H   UNL     1       3.454  -1.963  -0.046  1.00  0.00           H  
HETATM   46  H   UNL     1       5.897  -2.068  -0.072  1.00  0.00           H  
HETATM   47  H   UNL     1       6.085   2.220   0.039  1.00  0.00           H  
HETATM   48  H   UNL     1       3.643   2.327   0.057  1.00  0.00           H  
HETATM   49  H   UNL     1       9.310   1.048  -0.022  1.00  0.00           H  
CONECT    1    3    3   13   27                                       
CONECT    2   10   28   29   30                                       
CONECT    3   16    1    1    4                                       
CONECT    4    3   14   14   31                                       
CONECT    5    6   32   33   34                                       
CONECT    6   14    5    9    7                                       
CONECT    7    6    8    8   35                                       
CONECT    8   12    7    7   36                                       
CONECT    9    6   37   38   39                                       
CONECT   10   12    2   11   40                                       
CONECT   11   10   41   42   43                                       
CONECT   12   15   10    8                                            
CONECT   13    1   15   15   44                                       
CONECT   14    4    4   15    6                                       
CONECT   15   13   13   14   12                                       
CONECT   16   17   17   17    3                                       
CONECT   17   18   16   16   16                                       
CONECT   18   19   19   23   17                                       
CONECT   19   20   18   18   45                                       
CONECT   20   21   21   19   46                                       
CONECT   21   24   20   20   22                                       
CONECT   22   21   23   23   47                                       
CONECT   23   22   22   18   48                                       
CONECT   24   25   25   26   21                                       
CONECT   25   24   24                                                 
CONECT   26   24   49                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
