COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.082  -0.058   0.826  1.00  0.00           C  
HETATM    2  C   UNL     1       8.168   0.341  -0.335  1.00  0.00           C  
HETATM    3  C   UNL     1       6.912  -0.491  -0.294  1.00  0.00           C  
HETATM    4  C   UNL     1       5.717   0.105  -0.266  1.00  0.00           C  
HETATM    5  C   UNL     1       4.499  -0.702  -0.228  1.00  0.00           C  
HETATM    6  C   UNL     1       3.285  -0.097  -0.199  1.00  0.00           C  
HETATM    7  C   UNL     1       3.193   1.407  -0.208  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.209  -2.265  -0.089  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.539  -2.408  -0.024  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.961   1.903  -0.283  1.00  0.00           O  
HETATM   11  O   UNL     1       7.827   1.724  -0.218  1.00  0.00           O  
HETATM   12  C   UNL     1       2.111  -0.875  -0.162  1.00  0.00           C  
HETATM   13  C   UNL     1       0.895  -0.269  -0.133  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.284  -1.050  -0.095  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.613  -1.193  -0.031  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.922  -0.541  -0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.048  -1.287   0.035  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.357  -0.634   0.148  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.602  -1.082   0.328  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.178   0.306   0.302  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.150   1.876  -0.034  1.00  0.00           C  
HETATM   22  C   UNL     1      10.408   0.696   0.714  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.782   0.695   0.114  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.490  -0.449  -0.067  1.00  0.00           N  
HETATM   25  H   UNL     1       8.600   0.192   1.771  1.00  0.00           H  
HETATM   26  H   UNL     1       9.270  -1.131   0.787  1.00  0.00           H  
HETATM   27  H   UNL     1       8.685   0.173  -1.279  1.00  0.00           H  
HETATM   28  H   UNL     1       6.978  -1.569  -0.288  1.00  0.00           H  
HETATM   29  H   UNL     1       5.650   1.183  -0.273  1.00  0.00           H  
HETATM   30  H   UNL     1       4.565  -1.780  -0.221  1.00  0.00           H  
HETATM   31  H   UNL     1       3.142   1.762  -1.237  1.00  0.00           H  
HETATM   32  H   UNL     1       2.296   1.719   0.328  1.00  0.00           H  
HETATM   33  H   UNL     1       4.072   1.828   0.280  1.00  0.00           H  
HETATM   34  H   UNL     1       7.363   1.947   0.600  1.00  0.00           H  
HETATM   35  H   UNL     1       2.177  -1.953  -0.155  1.00  0.00           H  
HETATM   36  H   UNL     1       0.828   0.809  -0.139  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.988   0.537  -0.007  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.984  -2.364  -0.019  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.031  -2.065   0.447  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.821   0.508  -0.555  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.608   0.630   1.250  1.00  0.00           H  
HETATM   42  H   UNL     1      10.890   0.446  -0.231  1.00  0.00           H  
HETATM   43  H   UNL     1      10.220   1.769   0.752  1.00  0.00           H  
HETATM   44  H   UNL     1      11.059   0.412   1.540  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.550   0.519  -0.073  1.00  0.00           H  
HETATM   46  O   UNL     1      -6.837   3.027   0.093  1.00  0.00           O  
HETATM   47  H   UNL     1      -6.341   3.849  -0.022  1.00  0.00           H  
CONECT    1   22    2   25   26                                       
CONECT    2   11    1    3   27                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    7   12                                       
CONECT    7    6   31   32   33                                       
CONECT    8   14   14                                                 
CONECT    9   15   15                                                 
CONECT   10   21   21                                                 
CONECT   11    2   34                                                 
CONECT   12    6   13   13   35                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13    8    8   24                                       
CONECT   15   24    9    9   16                                       
CONECT   16   15   17   17   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   23   19   19                                       
CONECT   19   18   18   20   39                                       
CONECT   20   23   19   40   41                                       
CONECT   21   10   10   23   46                                       
CONECT   22    1   42   43   44                                       
CONECT   23   21   18   20                                            
CONECT   24   14   15   45                                            
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   21   47                                                 
CONECT   47   46                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
