COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.578   0.113  -0.272  1.00  0.00           C  
HETATM    2  C   UNL     1       5.992  -1.165  -0.050  1.00  0.00           C  
HETATM    3  C   UNL     1       7.382  -1.195  -0.188  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.877   0.777   0.309  1.00  0.00           N  
HETATM    5  C   UNL     1       0.975  -0.670   0.375  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.411  -0.163   0.412  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.537  -0.927   0.509  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.624  -0.045   0.512  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.114   1.246   0.414  1.00  0.00           C  
HETATM   10  C   UNL     1       0.133   2.301   0.250  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.030   2.443   0.386  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.365   2.027  -0.233  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.077  -0.276   0.599  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.316   0.655   0.558  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.534  -1.359   0.914  1.00  0.00           O  
HETATM   16  C   UNL     1      -7.005   0.109  -0.694  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.551  -1.222  -0.946  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.138  -1.827  -2.100  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.785   1.164   0.356  1.00  0.00           N  
HETATM   20  C   UNL     1       1.245  -2.023   0.621  1.00  0.00           C  
HETATM   21  C   UNL     1       2.557  -2.452   0.569  1.00  0.00           C  
HETATM   22  N   UNL     1       3.514  -1.580   0.290  1.00  0.00           N  
HETATM   23  N   UNL     1       1.990   0.150   0.101  1.00  0.00           N  
HETATM   24  C   UNL     1       3.232  -0.305   0.061  1.00  0.00           C  
HETATM   25  N   UNL     1       4.264   0.573  -0.226  1.00  0.00           N  
HETATM   26  N   UNL     1       7.793   0.013  -0.480  1.00  0.00           N  
HETATM   27  N   UNL     1       6.677   0.857  -0.540  1.00  0.00           N  
HETATM   28  C   UNL     1       6.695   2.290  -0.839  1.00  0.00           C  
HETATM   29  H   UNL     1       5.358  -2.006   0.189  1.00  0.00           H  
HETATM   30  H   UNL     1       8.010  -2.066  -0.072  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.581  -2.004   0.571  1.00  0.00           H  
HETATM   32  H   UNL     1       0.312   2.527  -0.801  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.308   3.170   0.739  1.00  0.00           H  
HETATM   34  H   UNL     1       1.077   2.052   0.735  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.194   2.801   1.402  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.580   3.234  -0.214  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.233   1.915  -1.310  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.096   2.815  -0.052  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.484  -0.026   1.392  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.726   1.635   0.801  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.084   0.103  -0.540  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.764   0.743  -1.547  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.742  -2.836  -2.222  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.219  -1.874  -1.975  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.899  -1.234  -2.982  1.00  0.00           H  
HETATM   46  H   UNL     1       0.446  -2.714   0.846  1.00  0.00           H  
HETATM   47  H   UNL     1       2.800  -3.488   0.754  1.00  0.00           H  
HETATM   48  H   UNL     1       4.071   1.509  -0.396  1.00  0.00           H  
HETATM   49  H   UNL     1       6.802   2.854   0.088  1.00  0.00           H  
HETATM   50  H   UNL     1       7.534   2.513  -1.499  1.00  0.00           H  
HETATM   51  H   UNL     1       5.763   2.571  -1.329  1.00  0.00           H  
CONECT    1   25   27    2    2                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2   26   26   30                                       
CONECT    4   14   13   12                                            
CONECT    5   20    6   23   23                                       
CONECT    6    7    7    5   19                                       
CONECT    7    8    6    6   31                                       
CONECT    8   13    7    9    9                                       
CONECT    9    8    8   19   11                                       
CONECT   10   19   32   33   34                                       
CONECT   11    9   12   35   36                                       
CONECT   12    4   11   37   38                                       
CONECT   13   15   15    8    4                                       
CONECT   14   16    4   39   40                                       
CONECT   15   13   13                                                 
CONECT   16   17   14   41   42                                       
CONECT   17   18   16                                                 
CONECT   18   17   43   44   45                                       
CONECT   19    6    9   10                                            
CONECT   20   21   21    5   46                                       
CONECT   21   20   20   22   47                                       
CONECT   22   21   24   24                                            
CONECT   23    5    5   24                                            
CONECT   24   22   22   23   25                                       
CONECT   25   24    1   48                                            
CONECT   26   27    3    3                                            
CONECT   27   28    1   26                                            
CONECT   28   27   49   50   51                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
