COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       2.392  -0.116  -1.014  1.00  0.00           C  
HETATM    2  C   UNL     1       3.680   0.287  -1.285  1.00  0.00           C  
HETATM    3  C   UNL     1       4.757  -0.355  -0.665  1.00  0.00           C  
HETATM    4  C   UNL     1       6.138   0.075  -0.952  1.00  0.00           C  
HETATM    5  O   UNL     1       7.174  -0.544  -0.354  1.00  0.00           O  
HETATM    6  O   UNL     1       6.341   0.988  -1.728  1.00  0.00           O  
HETATM    7  C   UNL     1       4.521  -1.405   0.228  1.00  0.00           C  
HETATM    8  C   UNL     1       3.231  -1.803   0.493  1.00  0.00           C  
HETATM    9  C   UNL     1       2.161  -1.158  -0.121  1.00  0.00           C  
HETATM   10  N   UNL     1       0.857  -1.564   0.151  1.00  0.00           N  
HETATM   11  C   UNL     1       0.498  -2.559   0.982  1.00  0.00           C  
HETATM   12  O   UNL     1       1.274  -3.247   1.617  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.962  -2.696   1.014  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.014  -3.387   1.545  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.121  -2.923   1.083  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.897  -1.930   0.245  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.925  -1.148  -0.485  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.728   0.209  -0.731  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.687   0.932  -1.411  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.843   0.311  -1.847  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.045  -1.036  -1.606  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.089  -1.769  -0.932  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.512  -1.749   0.171  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.363  -0.975  -0.417  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.464   0.479  -0.034  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.077   0.890   1.228  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.169   2.224   1.580  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.648   3.147   0.669  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.747   4.575   1.045  1.00  0.00           N1+
HETATM   30  O   UNL     1      -0.407   4.937   2.157  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.170   5.388   0.243  1.00  0.00           O1-
HETATM   32  C   UNL     1      -1.034   2.736  -0.593  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.938   1.403  -0.946  1.00  0.00           C  
HETATM   34  H   UNL     1       1.560   0.379  -1.492  1.00  0.00           H  
HETATM   35  H   UNL     1       3.859   1.098  -1.975  1.00  0.00           H  
HETATM   36  H   UNL     1       8.061  -0.227  -0.574  1.00  0.00           H  
HETATM   37  H   UNL     1       5.351  -1.905   0.704  1.00  0.00           H  
HETATM   38  H   UNL     1       3.048  -2.614   1.183  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.938  -4.120   2.177  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.825   0.695  -0.390  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.535   1.984  -1.602  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.592   0.881  -2.379  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.950  -1.515  -1.949  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.245  -2.822  -0.748  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.360  -1.077  -1.502  1.00  0.00           H  
HETATM   46  H   UNL     1       0.298   0.169   1.940  1.00  0.00           H  
HETATM   47  H   UNL     1       0.133   2.544   2.566  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.408   3.457  -1.305  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.237   1.083  -1.933  1.00  0.00           H  
CONECT    1    9    9    2   34                                       
CONECT    2    3    3    1   35                                       
CONECT    3    7    4    2    2                                       
CONECT    4    6    6    5    3                                       
CONECT    5    4   36                                                 
CONECT    6    4    4                                                 
CONECT    7    8    8    3   37                                       
CONECT    8    7    7    9   38                                       
CONECT    9    8   10    1    1                                       
CONECT   10    9   24   11                                            
CONECT   11   10   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   23   23   11   14                                       
CONECT   14   13   15   39                                            
CONECT   15   16   16   14                                            
CONECT   16   17   23   15   15                                       
CONECT   17   18   16   22   22                                       
CONECT   18   19   19   17   40                                       
CONECT   19   18   18   20   41                                       
CONECT   20   19   21   21   42                                       
CONECT   21   20   20   22   43                                       
CONECT   22   17   17   21   44                                       
CONECT   23   24   16   13   13                                       
CONECT   24   25   10   23   45                                       
CONECT   25   26   24   33   33                                       
CONECT   26   27   27   25   46                                       
CONECT   27   26   26   28   47                                       
CONECT   28   27   29   32   32                                       
CONECT   29   31   28   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   29                                                      
CONECT   32   28   28   33   48                                       
CONECT   33   25   25   32   49                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   32                                                      
CONECT   49   33                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
