COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.152   0.504   0.552  1.00  0.00           C  
HETATM    2  O   UNL     1       0.729  -0.057   1.543  1.00  0.00           O  
HETATM    3  O   UNL     1       2.448   0.381   0.210  1.00  0.00           O  
HETATM    4  C   UNL     1       3.282  -0.438   1.071  1.00  0.00           C  
HETATM    5  C   UNL     1       4.691  -0.459   0.535  1.00  0.00           C  
HETATM    6  C   UNL     1       5.602   0.495   0.948  1.00  0.00           C  
HETATM    7  C   UNL     1       6.893   0.476   0.456  1.00  0.00           C  
HETATM    8  C   UNL     1       7.274  -0.498  -0.449  1.00  0.00           C  
HETATM    9  C   UNL     1       6.363  -1.453  -0.861  1.00  0.00           C  
HETATM   10  C   UNL     1       5.073  -1.436  -0.365  1.00  0.00           C  
HETATM   11  N   UNL     1       0.322   1.245  -0.209  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.110   1.459   0.044  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.841   0.142  -0.003  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.330  -0.816  -0.543  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.637   2.392  -1.066  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.352   3.107  -1.559  1.00  0.00           C  
HETATM   17  C   UNL     1       0.702   1.982  -1.428  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.138  -2.136  -0.550  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.063   0.029   0.555  1.00  0.00           N  
HETATM   20  O   UNL     1      -2.947  -1.798  -1.695  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.843  -1.206   0.403  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.225  -0.851  -0.155  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.020   1.471   0.765  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.637   1.136   1.331  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.880   0.199   0.745  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.720  -3.340  -0.128  1.00  0.00           O  
HETATM   27  H   UNL     1       3.284  -0.021   2.079  1.00  0.00           H  
HETATM   28  H   UNL     1       2.889  -1.454   1.099  1.00  0.00           H  
HETATM   29  H   UNL     1       5.305   1.256   1.654  1.00  0.00           H  
HETATM   30  H   UNL     1       7.605   1.221   0.777  1.00  0.00           H  
HETATM   31  H   UNL     1       8.283  -0.513  -0.834  1.00  0.00           H  
HETATM   32  H   UNL     1       6.660  -2.213  -1.568  1.00  0.00           H  
HETATM   33  H   UNL     1       4.362  -2.184  -0.684  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.249   1.925   1.020  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.091   1.815  -1.872  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.347   3.113  -0.660  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.456   3.428  -2.595  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.101   3.949  -0.914  1.00  0.00           H  
HETATM   39  H   UNL     1       1.700   2.406  -1.320  1.00  0.00           H  
HETATM   40  H   UNL     1       0.661   1.324  -2.297  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.953  -1.691   1.373  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.118  -0.451  -1.163  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.848  -1.745  -0.183  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.497   2.225   1.391  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.915   1.854  -0.250  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.731   0.840   2.376  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.990   2.010   1.255  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.873   0.436   0.364  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.964  -0.192   1.758  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.273  -3.901  -0.776  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   27   28                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   29                                       
CONECT    7    6    8    8   30                                       
CONECT    8    7    7    9   31                                       
CONECT    9    8   10   10   32                                       
CONECT   10    5    9    9   33                                       
CONECT   11   12   17    1                                            
CONECT   12   11   13   15   34                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   35   36                                       
CONECT   16   15   17   37   38                                       
CONECT   17   11   16   39   40                                       
CONECT   18   20   20   21   26                                       
CONECT   19   21   24   13                                            
CONECT   20   18   18                                                 
CONECT   21   18   19   22   41                                       
CONECT   22   21   25   42   43                                       
CONECT   23   24   25   44   45                                       
CONECT   24   19   23   46   47                                       
CONECT   25   22   23   48   49                                       
CONECT   26   18   50                                                 
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
