COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.771  -0.761  -0.031  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.205  -2.032  -0.021  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.401  -2.247  -0.044  1.00  0.00           O  
HETATM    4  N   UNL     1      -0.355  -3.072   0.011  1.00  0.00           N  
HETATM    5  C   UNL     1       0.978  -2.863   0.036  1.00  0.00           C  
HETATM    6  O   UNL     1       1.754  -3.801   0.066  1.00  0.00           O  
HETATM    7  C   UNL     1       1.475  -1.479   0.027  1.00  0.00           C  
HETATM    8  C   UNL     1       0.561  -0.464  -0.007  1.00  0.00           C  
HETATM    9  C   UNL     1       2.880  -1.202   0.053  1.00  0.00           C  
HETATM   10  C   UNL     1       4.031  -0.976   0.074  1.00  0.00           C  
HETATM   11  C   UNL     1       5.475  -0.691   0.101  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.747   0.330  -0.073  1.00  0.00           C  
HETATM   13  C   UNL     1       5.697   0.822   0.084  1.00  0.00           C  
HETATM   14  C   UNL     1       7.198   1.118   0.111  1.00  0.00           C  
HETATM   15  C   UNL     1       7.420   2.632   0.094  1.00  0.00           C  
HETATM   16  C   UNL     1       8.921   2.927   0.122  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.509   0.282  -1.401  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.596   0.484  -2.482  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.568   1.388  -1.413  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.332   1.305  -2.618  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.494   1.207  -0.206  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.442   2.275  -0.166  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.656   1.219   1.076  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.670   0.187   1.008  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.565   0.979   2.282  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.804   1.105   3.485  1.00  0.00           O  
HETATM   27  H   UNL     1      -0.701  -3.978   0.017  1.00  0.00           H  
HETATM   28  H   UNL     1       0.891   0.564  -0.015  1.00  0.00           H  
HETATM   29  H   UNL     1       5.912  -1.112   1.006  1.00  0.00           H  
HETATM   30  H   UNL     1       5.950  -1.138  -0.773  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.230   1.285   0.014  1.00  0.00           H  
HETATM   32  H   UNL     1       5.261   1.244  -0.822  1.00  0.00           H  
HETATM   33  H   UNL     1       5.223   1.269   0.958  1.00  0.00           H  
HETATM   34  H   UNL     1       7.635   0.697   1.017  1.00  0.00           H  
HETATM   35  H   UNL     1       7.673   0.672  -0.763  1.00  0.00           H  
HETATM   36  H   UNL     1       6.984   3.053  -0.811  1.00  0.00           H  
HETATM   37  H   UNL     1       6.946   3.078   0.968  1.00  0.00           H  
HETATM   38  H   UNL     1       9.358   2.506   1.027  1.00  0.00           H  
HETATM   39  H   UNL     1       9.396   2.481  -0.752  1.00  0.00           H  
HETATM   40  H   UNL     1       9.079   4.006   0.110  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.993  -0.688  -1.509  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.011   0.466  -3.355  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.080   2.362  -1.357  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.024   1.977  -2.692  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.019   0.256  -0.289  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.005   2.331  -0.951  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.163   2.186   1.179  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.370   1.713   2.282  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.989  -0.024   2.224  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.318   0.965   4.292  1.00  0.00           H  
CONECT    1    2    8   12                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   27                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8    9                                       
CONECT    8    1    7    7   28                                       
CONECT    9    7   10   10   10                                       
CONECT   10    9    9    9   11                                       
CONECT   11   10   13   29   30                                       
CONECT   12    1   17   24   31                                       
CONECT   13   11   14   32   33                                       
CONECT   14   13   15   34   35                                       
CONECT   15   14   16   36   37                                       
CONECT   16   15   38   39   40                                       
CONECT   17   12   18   19   41                                       
CONECT   18   17   42                                                 
CONECT   19   17   20   21   43                                       
CONECT   20   19   44                                                 
CONECT   21   19   22   23   45                                       
CONECT   22   21   46                                                 
CONECT   23   21   24   25   47                                       
CONECT   24   12   23                                                 
CONECT   25   23   26   48   49                                       
CONECT   26   25   50                                                 
CONECT   27    4                                                      
CONECT   28    8                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
