COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       7.874   3.357  -0.481  1.00  0.00           C  
HETATM    2  C   UNK A   0       7.886   2.658   0.880  1.00  0.00           C  
HETATM    3  C   UNK A   0       7.910   1.829  -0.407  1.00  0.00           C  
HETATM    4  C   UNK A   0       9.202   1.145  -0.771  1.00  0.00           C  
HETATM    5  O   UNK A   0      10.252   1.577  -0.356  1.00  0.00           O  
HETATM    6  O   UNK A   0       9.188   0.056  -1.555  1.00  0.00           O  
HETATM    7  N   UNK A   0       6.688   1.105  -0.768  1.00  0.00           N  
HETATM    8  C   UNK A   0       6.243   0.102   0.015  1.00  0.00           C  
HETATM    9  O   UNK A   0       6.802  -0.142   1.067  1.00  0.00           O  
HETATM   10  N   UNK A   1       5.178  -0.629  -0.368  1.00  0.00           N  
HETATM   11  C   UNK A   1       4.694  -1.719   0.483  1.00  0.00           C  
HETATM   12  C   UNK A   1       5.478  -2.972   0.189  1.00  0.00           C  
HETATM   13  O   UNK A   1       5.207  -4.106   0.854  1.00  0.00           O  
HETATM   14  O   UNK A   1       6.352  -2.956  -0.646  1.00  0.00           O  
HETATM   15  C   UNK A   1       3.211  -1.968   0.199  1.00  0.00           C  
HETATM   16  C   UNK A   1       2.400  -0.739   0.615  1.00  0.00           C  
HETATM   17  C   UNK A   1       0.917  -0.987   0.332  1.00  0.00           C  
HETATM   18  C   UNK A   1       0.105   0.241   0.748  1.00  0.00           C  
HETATM   19  N   UNK A   1      -1.314   0.004   0.476  1.00  0.00           N  
HETATM   20  C   UNK A   1      -2.224   0.955   0.765  1.00  0.00           C  
HETATM   21  O   UNK A   1      -1.867   2.011   1.250  1.00  0.00           O  
HETATM   22  C   UNK A   1      -3.657   0.715   0.491  1.00  0.00           C  
HETATM   23  C   UNK A   1      -4.601   1.699   0.788  1.00  0.00           C  
HETATM   24  C   UNK A   1      -5.937   1.469   0.530  1.00  0.00           C  
HETATM   25  C   UNK A   1      -6.341   0.266  -0.022  1.00  0.00           C  
HETATM   26  I   UNK A   1      -8.371  -0.074  -0.410  1.00  0.00           I  
HETATM   27  C   UNK A   1      -5.409  -0.714  -0.319  1.00  0.00           C  
HETATM   28  C   UNK A   1      -4.070  -0.494  -0.071  1.00  0.00           C  
HETATM   29  H   UNK A   0       6.942   3.824  -0.798  1.00  0.00           H  
HETATM   30  H   UNK A   0       8.785   3.867  -0.793  1.00  0.00           H  
HETATM   31  H   UNK A   0       8.806   2.708   1.463  1.00  0.00           H  
HETATM   32  H   UNK A   0       6.962   2.664   1.458  1.00  0.00           H  
HETATM   33  H   UNK A   0      10.042  -0.348  -1.761  1.00  0.00           H  
HETATM   34  H   UNK A   0       6.200   1.348  -1.570  1.00  0.00           H  
HETATM   35  H   UNK A   1       4.732  -0.434  -1.207  1.00  0.00           H  
HETATM   36  H   UNK A   1       4.823  -1.447   1.531  1.00  0.00           H  
HETATM   37  H   UNK A   1       5.736  -4.884   0.631  1.00  0.00           H  
HETATM   38  H   UNK A   1       3.071  -2.152  -0.865  1.00  0.00           H  
HETATM   39  H   UNK A   1       2.873  -2.835   0.766  1.00  0.00           H  
HETATM   40  H   UNK A   1       2.540  -0.554   1.680  1.00  0.00           H  
HETATM   41  H   UNK A   1       2.738   0.128   0.048  1.00  0.00           H  
HETATM   42  H   UNK A   1       0.776  -1.172  -0.733  1.00  0.00           H  
HETATM   43  H   UNK A   1       0.579  -1.855   0.899  1.00  0.00           H  
HETATM   44  H   UNK A   1       0.246   0.426   1.813  1.00  0.00           H  
HETATM   45  H   UNK A   1       0.444   1.109   0.181  1.00  0.00           H  
HETATM   46  H   UNK A   1      -1.600  -0.839   0.089  1.00  0.00           H  
HETATM   47  H   UNK A   1      -4.287   2.638   1.219  1.00  0.00           H  
HETATM   48  H   UNK A   1      -6.669   2.230   0.760  1.00  0.00           H  
HETATM   49  H   UNK A   1      -5.730  -1.651  -0.749  1.00  0.00           H  
HETATM   50  H   UNK A   1      -3.343  -1.257  -0.308  1.00  0.00           H  
CONECT    1    2    3   29   30                                       
CONECT    2    3    1   31   32                                       
CONECT    3    4    2    1    7                                       
CONECT    4    5    5    6    3                                       
CONECT    5    4    4                                                 
CONECT    6    4   33                                                 
CONECT    7    3    8   34                                            
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   35                                            
CONECT   11   15   10   12   36                                       
CONECT   12   11   14   14   13                                       
CONECT   13   12   37                                                 
CONECT   14   12   12                                                 
CONECT   15   16   11   38   39                                       
CONECT   16   17   15   40   41                                       
CONECT   17   18   16   42   43                                       
CONECT   18   17   19   44   45                                       
CONECT   19   18   20   46                                            
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   23   28                                       
CONECT   23   22   22   24   47                                       
CONECT   24   23   25   25   48                                       
CONECT   25   24   24   27   26                                       
CONECT   26   25                                                      
CONECT   27   28   28   25   49                                       
CONECT   28   22   27   27   50                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
