COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.353   2.429   1.633  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.180   1.452   0.499  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.154   0.989  -0.058  1.00  0.00           O  
HETATM    4  N   UNL     1      -1.944   1.091   0.103  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.775   0.141  -1.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.408   0.361  -1.659  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.291   1.721  -2.081  1.00  0.00           O  
HETATM    8  C   UNL     1       0.680   0.047  -0.632  1.00  0.00           C  
HETATM    9  O   UNL     1       1.982   0.183  -1.201  1.00  0.00           O  
HETATM   10  C   UNL     1       3.033  -0.133  -0.281  1.00  0.00           C  
HETATM   11  C   UNL     1       4.383  -0.007  -0.990  1.00  0.00           C  
HETATM   12  C   UNL     1       2.986   0.827   0.879  1.00  0.00           C  
HETATM   13  O   UNL     1       2.089   1.633   0.961  1.00  0.00           O  
HETATM   14  O   UNL     1       3.941   0.788   1.822  1.00  0.00           O  
HETATM   15  O   UNL     1       2.877  -1.468   0.202  1.00  0.00           O  
HETATM   16  C   UNL     1       1.618  -1.724   0.838  1.00  0.00           C  
HETATM   17  C   UNL     1       0.503  -1.401  -0.157  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.782  -1.536   0.447  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.862  -1.287  -0.459  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.104  -1.460   0.226  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.345  -2.799   0.664  1.00  0.00           C  
HETATM   22  H   UNL     1      -3.408   1.885   2.576  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.505   3.112   1.656  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.273   2.996   1.487  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.165   1.460   0.548  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.562   0.298  -1.737  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.305  -0.300  -2.519  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.962   1.992  -2.722  1.00  0.00           H  
HETATM   29  H   UNL     1       0.583   0.722   0.218  1.00  0.00           H  
HETATM   30  H   UNL     1       5.184  -0.242  -0.290  1.00  0.00           H  
HETATM   31  H   UNL     1       4.418  -0.701  -1.830  1.00  0.00           H  
HETATM   32  H   UNL     1       4.507   1.012  -1.356  1.00  0.00           H  
HETATM   33  H   UNL     1       3.869   1.424   2.547  1.00  0.00           H  
HETATM   34  H   UNL     1       1.560  -2.773   1.127  1.00  0.00           H  
HETATM   35  H   UNL     1       1.517  -1.093   1.720  1.00  0.00           H  
HETATM   36  H   UNL     1       0.572  -2.074  -1.012  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.807  -1.992  -1.289  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.555  -3.105   1.349  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.307  -2.846   1.174  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.357  -3.466  -0.198  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2    4    1    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   25                                            
CONECT    5    6   19    4   26                                       
CONECT    6    8    7    5   27                                       
CONECT    7    6   28                                                 
CONECT    8    9   17    6   29                                       
CONECT    9   10    8                                                 
CONECT   10   11   15   12    9                                       
CONECT   11   10   30   31   32                                       
CONECT   12   13   13   10   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   33                                                 
CONECT   15   10   16                                                 
CONECT   16   15   17   34   35                                       
CONECT   17   16    8   18   36                                       
CONECT   18   17   19                                                 
CONECT   19   18    5   20   37                                       
CONECT   20   19   21                                                 
CONECT   21   20   38   39   40                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
