COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.835   0.210   0.127  1.00  0.00           C  
HETATM    2  C   UNL     1       3.441  -1.094  -0.233  1.00  0.00           C  
HETATM    3  O   UNL     1       2.849  -2.135  -0.435  1.00  0.00           O  
HETATM    4  C   UNL     1       4.907  -0.888  -0.301  1.00  0.00           C  
HETATM    5  C   UNL     1       5.961  -1.747  -0.589  1.00  0.00           C  
HETATM    6  C   UNL     1       7.262  -1.272  -0.579  1.00  0.00           C  
HETATM    7  C   UNL     1       7.516   0.053  -0.282  1.00  0.00           C  
HETATM    8  C   UNL     1       6.474   0.920   0.008  1.00  0.00           C  
HETATM    9  C   UNL     1       5.165   0.459   0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       3.872   1.143   0.267  1.00  0.00           C  
HETATM   11  C   UNL     1       3.571   2.457   0.605  1.00  0.00           C  
HETATM   12  C   UNL     1       2.256   2.845   0.803  1.00  0.00           C  
HETATM   13  C   UNL     1       1.228   1.934   0.668  1.00  0.00           C  
HETATM   14  C   UNL     1       1.507   0.608   0.333  1.00  0.00           C  
HETATM   15  C   UNL     1       0.406  -0.372   0.193  1.00  0.00           C  
HETATM   16  O   UNL     1       0.653  -1.525  -0.101  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.869   0.014   0.392  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.959  -0.956   0.254  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.295  -0.264   0.530  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.434   0.902  -0.352  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.688   1.620  -0.089  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.772   2.849  -0.996  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.875   0.696  -0.372  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.852   0.295  -1.743  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.776  -0.542   0.524  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.851  -1.435   0.225  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.440  -1.244   0.266  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.316  -2.369   1.138  1.00  0.00           O  
HETATM   29  H   UNL     1       5.766  -2.784  -0.821  1.00  0.00           H  
HETATM   30  H   UNL     1       8.081  -1.940  -0.803  1.00  0.00           H  
HETATM   31  H   UNL     1       8.533   0.416  -0.276  1.00  0.00           H  
HETATM   32  H   UNL     1       6.681   1.955   0.240  1.00  0.00           H  
HETATM   33  H   UNL     1       4.367   3.179   0.715  1.00  0.00           H  
HETATM   34  H   UNL     1       2.033   3.869   1.066  1.00  0.00           H  
HETATM   35  H   UNL     1       0.206   2.247   0.825  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.066   0.935   0.626  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.960  -1.358  -0.759  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.815  -1.767   0.967  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.328   0.061   1.570  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.640   1.518  -0.264  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.400  -1.580  -0.770  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.714   1.936   0.954  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.745   2.533  -2.039  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.702   3.382  -0.802  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.927   3.507  -0.794  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.805   1.224  -0.162  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.577  -0.293  -1.993  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.834  -0.241   1.570  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.729  -1.054   0.361  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.011  -3.033   1.026  1.00  0.00           H  
CONECT    1    2   10   14   14                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    9    9                                       
CONECT    5    4    6    6   29                                       
CONECT    6    5    5    7   30                                       
CONECT    7    6    8    8   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9    4    4    8   10                                       
CONECT   10    1    9   11   11                                       
CONECT   11   10   10   12   33                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12   14   35                                       
CONECT   14    1    1   13   15                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   36                                            
CONECT   18   17   19   37   38                                       
CONECT   19   18   20   27   39                                       
CONECT   20   19   21   40                                            
CONECT   21   20   22   23   42                                       
CONECT   22   21   43   44   45                                       
CONECT   23   21   24   25   46                                       
CONECT   24   23   47                                                 
CONECT   25   23   26   27   48                                       
CONECT   26   25   49                                                 
CONECT   27   19   25   28   41                                       
CONECT   28   27   50                                                 
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   27                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
