COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.658   0.022   3.402  1.00  0.00           O  
HETATM    2  C   UNL     1       1.125   0.017   2.310  1.00  0.00           C  
HETATM    3  C   UNL     1       1.834   0.014   1.031  1.00  0.00           C  
HETATM    4  C   UNL     1       3.200   0.016   0.743  1.00  0.00           C  
HETATM    5  C   UNL     1       3.558   0.013  -0.610  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.206   0.007   2.101  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.464   0.003   0.666  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.244   1.235   0.293  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.901   2.451   0.859  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.603   3.594   0.532  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.658   3.526  -0.367  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.351   4.650  -0.689  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.003   2.312  -0.936  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.295   1.162  -0.608  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.646  -0.015  -1.177  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.278  -1.186  -0.604  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.969  -2.347  -0.930  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.608  -3.554  -0.356  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.283  -4.689  -0.677  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.554  -3.604   0.546  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.869  -2.450   0.869  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.226  -1.241   0.297  1.00  0.00           C  
HETATM   23  C   UNL     1       0.876   0.007  -0.002  1.00  0.00           C  
HETATM   24  C   UNL     1       1.237   0.004  -1.332  1.00  0.00           C  
HETATM   25  C   UNL     1       2.595   0.007  -1.620  1.00  0.00           C  
HETATM   26  O   UNL     1       5.839   0.020  -0.110  1.00  0.00           O  
HETATM   27  C   UNL     1       4.989   0.015  -0.978  1.00  0.00           C  
HETATM   28  O   UNL     1       5.351   0.012  -2.275  1.00  0.00           O  
HETATM   29  H   UNL     1       3.944   0.021   1.526  1.00  0.00           H  
HETATM   30  H   UNL     1       2.915   0.005  -2.652  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.081   2.506   1.559  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.332   4.540   0.977  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.993   5.129  -1.449  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.824   2.257  -1.636  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.789  -2.307  -1.632  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.916  -5.165  -1.434  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.271  -4.544   0.995  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.049  -2.490   1.572  1.00  0.00           H  
HETATM   39  H   UNL     1       0.495  -0.001  -2.117  1.00  0.00           H  
HETATM   40  H   UNL     1       6.299   0.013  -2.467  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4   23   23                                       
CONECT    4    3    5    5   29                                       
CONECT    5    4    4   25   27                                       
CONECT    6    2    7                                                 
CONECT    7    6    8   22   23                                       
CONECT    8    7    9   14   14                                       
CONECT    9    8   10   10   31                                       
CONECT   10    9    9   11   32                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11   33                                                 
CONECT   13   11   11   14   34                                       
CONECT   14    8    8   13   15                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   35                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   36                                                 
CONECT   20   18   18   21   37                                       
CONECT   21   20   22   22   38                                       
CONECT   22    7   16   21   21                                       
CONECT   23    3    3    7   24                                       
CONECT   24   23   25   25   39                                       
CONECT   25    5   24   24   30                                       
CONECT   26   27   27                                                 
CONECT   27    5   26   26   28                                       
CONECT   28   27   40                                                 
CONECT   29    4                                                      
CONECT   30   25                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   24                                                      
CONECT   40   28                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
