COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.596   1.098   0.003  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.598   2.015  -0.004  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.013   3.271  -0.008  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.806   4.404  -0.016  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.184   4.287  -0.020  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.776   3.038  -0.017  1.00  0.00           C  
HETATM    7  C   UNL     1       7.267   0.163   0.024  1.00  0.00           C  
HETATM    8  C   UNL     1       4.965   0.284   0.016  1.00  0.00           C  
HETATM    9  C   UNL     1       4.901  -1.092   0.016  1.00  0.00           C  
HETATM   10  C   UNL     1       3.457  -1.517   0.012  1.00  0.00           C  
HETATM   11  C   UNL     1       3.563   0.836   0.012  1.00  0.00           C  
HETATM   12  C   UNL     1       1.290  -0.240   0.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.986   1.897  -0.009  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.342   0.405  -1.242  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.857  -1.036  -1.269  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.749  -1.277  -0.049  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.949  -0.987   1.224  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.432   0.452   1.179  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.213  -2.711  -0.038  1.00  0.00           C  
HETATM   20  C   UNL     1       6.093  -1.820   0.009  1.00  0.00           C  
HETATM   21  N   UNL     1       8.486   0.819   0.029  1.00  0.00           N  
HETATM   22  N   UNL     1       6.151   0.877   0.021  1.00  0.00           N  
HETATM   23  N   UNL     1       2.636  -0.301   0.009  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.583   0.631  -0.006  1.00  0.00           N  
HETATM   25  N   UNL     1       6.072  -3.205  -0.004  1.00  0.00           N  
HETATM   26  N   UNL     1       7.247  -1.161   0.019  1.00  0.00           N  
HETATM   27  O   UNL     1       0.637  -1.262   0.002  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.819   0.900  -0.002  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.865  -3.464  -0.917  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.011  -3.151   0.947  1.00  0.00           O  
HETATM   31  H   UNL     1       0.882   1.657   0.894  1.00  0.00           H  
HETATM   32  H   UNL     1       0.888   1.657  -0.886  1.00  0.00           H  
HETATM   33  H   UNL     1       0.063   3.365  -0.004  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.348   5.382  -0.018  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.799   5.175  -0.026  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.852   2.950  -0.020  1.00  0.00           H  
HETATM   37  H   UNL     1       3.248  -2.106  -0.881  1.00  0.00           H  
HETATM   38  H   UNL     1       3.242  -2.106   0.903  1.00  0.00           H  
HETATM   39  H   UNL     1       3.402   1.442   0.904  1.00  0.00           H  
HETATM   40  H   UNL     1       3.408   1.443  -0.880  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.695   0.575  -2.102  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.187   1.093  -1.281  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.434  -1.199  -2.180  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.013  -1.725  -1.245  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.615  -0.615  -0.094  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.592  -1.116   2.095  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.106  -1.675   1.288  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.275   1.140   1.129  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.849   0.657   2.077  1.00  0.00           H  
HETATM   50  H   UNL     1       8.515   1.788   0.029  1.00  0.00           H  
HETATM   51  H   UNL     1       9.311   0.309   0.031  1.00  0.00           H  
HETATM   52  H   UNL     1       5.225  -3.678  -0.009  1.00  0.00           H  
HETATM   53  H   UNL     1       6.905  -3.703  -0.009  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.282  -4.079   0.910  1.00  0.00           H  
CONECT    1   12   28   31   32                                       
CONECT    2   28   13   13    3                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3    5   34                                       
CONECT    5    6    6    4   35                                       
CONECT    6   13    5    5   36                                       
CONECT    7   26   21   22   22                                       
CONECT    8    9    9   22   11                                       
CONECT    9   20   10    8    8                                       
CONECT   10    9   23   37   38                                       
CONECT   11    8   23   39   40                                       
CONECT   12   23   27   27    1                                       
CONECT   13   24    2    2    6                                       
CONECT   14   15   24   41   42                                       
CONECT   15   16   14   43   44                                       
CONECT   16   19   17   15   45                                       
CONECT   17   16   18   46   47                                       
CONECT   18   17   24   48   49                                       
CONECT   19   29   29   30   16                                       
CONECT   20   25   26   26    9                                       
CONECT   21    7   50   51                                            
CONECT   22    7    7    8                                            
CONECT   23   10   11   12                                            
CONECT   24   18   14   13                                            
CONECT   25   20   52   53                                            
CONECT   26   20   20    7                                            
CONECT   27   12   12                                                 
CONECT   28    1    2                                                 
CONECT   29   19   19                                                 
CONECT   30   19   54                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
