COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.127   0.940   0.409  1.00  0.00           O  
HETATM    2  C   UNL     1       6.804   0.726   0.188  1.00  0.00           C  
HETATM    3  C   UNL     1       6.355   0.401  -1.084  1.00  0.00           C  
HETATM    4  C   UNL     1       5.009   0.183  -1.306  1.00  0.00           C  
HETATM    5  C   UNL     1       5.899   0.827   1.235  1.00  0.00           C  
HETATM    6  C   UNL     1       4.555   0.608   1.008  1.00  0.00           C  
HETATM    7  C   UNL     1       4.109   0.290  -0.261  1.00  0.00           C  
HETATM    8  C   UNL     1       2.641   0.053  -0.506  1.00  0.00           C  
HETATM    9  C   UNL     1       2.321  -1.428  -0.294  1.00  0.00           C  
HETATM   10  C   UNL     1       0.831  -1.669  -0.543  1.00  0.00           C  
HETATM   11  C   UNL     1       0.534  -3.167  -0.453  1.00  0.00           C  
HETATM   12  N   UNL     1       0.044  -0.952   0.470  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.305  -0.651  -0.029  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.093   0.094   1.051  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.477   0.403   0.539  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.504  -0.501   0.739  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.776  -0.218   0.270  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.788  -1.105   0.467  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.017   0.977  -0.401  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.265   1.260  -0.863  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.984   1.878  -0.598  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.717   1.592  -0.123  1.00  0.00           C  
HETATM   23  H   UNL     1       8.402   1.860   0.292  1.00  0.00           H  
HETATM   24  H   UNL     1       7.058   0.318  -1.900  1.00  0.00           H  
HETATM   25  H   UNL     1       6.247   1.075   2.227  1.00  0.00           H  
HETATM   26  H   UNL     1       4.660  -0.070  -2.296  1.00  0.00           H  
HETATM   27  H   UNL     1       3.850   0.686   1.823  1.00  0.00           H  
HETATM   28  H   UNL     1       2.055   0.654   0.189  1.00  0.00           H  
HETATM   29  H   UNL     1       2.394   0.335  -1.530  1.00  0.00           H  
HETATM   30  H   UNL     1       2.907  -2.030  -0.989  1.00  0.00           H  
HETATM   31  H   UNL     1       2.569  -1.710   0.729  1.00  0.00           H  
HETATM   32  H   UNL     1       0.565  -1.305  -1.535  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.528  -3.338  -0.630  1.00  0.00           H  
HETATM   34  H   UNL     1       1.118  -3.699  -1.204  1.00  0.00           H  
HETATM   35  H   UNL     1       0.800  -3.531   0.540  1.00  0.00           H  
HETATM   36  H   UNL     1       0.002  -1.474   1.332  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.232  -0.028  -0.920  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.817  -1.581  -0.276  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.166  -0.529   1.942  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.581   1.024   1.298  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.314  -1.427   1.261  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.913   2.297  -0.273  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.276  -0.970   1.290  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.821   1.733  -0.230  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.168   2.806  -1.120  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2    1    3    5    5                                       
CONECT    3    2    4    4   24                                       
CONECT    4    3    3    7   26                                       
CONECT    5    2    2    6   25                                       
CONECT    6    5    7    7   27                                       
CONECT    7    4    6    6    8                                       
CONECT    8    7    9   28   29                                       
CONECT    9    8   10   30   31                                       
CONECT   10    9   11   12   32                                       
CONECT   11   10   33   34   35                                       
CONECT   12   10   13   36                                            
CONECT   13   12   14   37   38                                       
CONECT   14   13   15   39   40                                       
CONECT   15   14   16   22   22                                       
CONECT   16   15   17   17   41                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   43                                                 
CONECT   19   17   20   21   21                                       
CONECT   20   19   44                                                 
CONECT   21   19   19   22   45                                       
CONECT   22   15   15   21   42                                       
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    5                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   22                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
