COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.892   0.844  -0.820  1.00  0.00           C  
HETATM    2  C   UNL     1       2.157   2.171  -1.032  1.00  0.00           C  
HETATM    3  C   UNL     1       0.824   2.133  -0.278  1.00  0.00           C  
HETATM    4  C   UNL     1       0.008   0.933  -0.766  1.00  0.00           C  
HETATM    5  C   UNL     1       0.826  -0.346  -0.565  1.00  0.00           C  
HETATM    6  C   UNL     1       0.041  -1.544  -1.105  1.00  0.00           C  
HETATM    7  C   UNL     1       3.204   0.666   0.667  1.00  0.00           C  
HETATM    8  O   UNL     1       2.958   3.245  -0.533  1.00  0.00           O  
HETATM    9  O   UNL     1       0.099   3.339  -0.530  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.207   0.845  -0.019  1.00  0.00           O  
HETATM   11  O   UNL     1       2.066  -0.233  -1.266  1.00  0.00           O  
HETATM   12  O   UNL     1       0.740  -2.750  -0.794  1.00  0.00           O  
HETATM   13  P   UNL     1       4.207  -0.839   0.901  1.00  0.00           P  
HETATM   14  O   UNL     1       5.415  -0.763   0.050  1.00  0.00           O  
HETATM   15  O   UNL     1       3.340  -2.131   0.490  1.00  0.00           O  
HETATM   16  O   UNL     1       4.645  -0.956   2.446  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.388   0.924  -0.819  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.529   1.519   0.012  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.828   0.590   1.192  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.165  -0.806   0.657  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.000  -1.310  -0.199  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.353  -2.678  -0.787  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.143   2.804   0.502  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.940   1.099   1.931  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.375  -1.699   1.752  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.754  -0.385  -1.260  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.234  -3.187  -1.516  1.00  0.00           O  
HETATM   28  H   UNL     1       3.822   0.849  -1.388  1.00  0.00           H  
HETATM   29  H   UNL     1       1.971   2.319  -2.095  1.00  0.00           H  
HETATM   30  H   UNL     1       1.011   2.037   0.791  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.223   1.054  -1.825  1.00  0.00           H  
HETATM   32  H   UNL     1       1.021  -0.489   0.498  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.947  -1.567  -0.646  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.062  -1.452  -2.186  1.00  0.00           H  
HETATM   35  H   UNL     1       2.272   0.572   1.225  1.00  0.00           H  
HETATM   36  H   UNL     1       3.758   1.532   1.029  1.00  0.00           H  
HETATM   37  H   UNL     1       2.551   4.116  -0.630  1.00  0.00           H  
HETATM   38  H   UNL     1       0.558   4.141  -0.245  1.00  0.00           H  
HETATM   39  H   UNL     1       0.256  -3.556  -1.023  1.00  0.00           H  
HETATM   40  H   UNL     1       2.531  -2.244   1.008  1.00  0.00           H  
HETATM   41  H   UNL     1       5.183  -1.735   2.644  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.200   1.560  -1.684  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.419   1.618  -0.609  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.955   0.530   1.841  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.068  -0.754   0.049  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.106  -1.400   0.419  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.604  -3.366   0.020  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.207  -2.576  -1.456  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.938   3.445  -0.193  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.796   1.981   2.300  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.097  -1.438   2.339  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.412  -4.015  -1.981  1.00  0.00           H  
CONECT    1    2   11    7   28                                       
CONECT    2    3    8    1   29                                       
CONECT    3    4    9    2   30                                       
CONECT    4   10    5    3   31                                       
CONECT    5    4   11    6   32                                       
CONECT    6    5   12   33   34                                       
CONECT    7   13    1   35   36                                       
CONECT    8    2   37                                                 
CONECT    9    3   38                                                 
CONECT   10   17    4                                                 
CONECT   11    1    5                                                 
CONECT   12    6   39                                                 
CONECT   13   14   14    7   15                                       
CONECT   13   16                                                      
CONECT   14   13   13                                                 
CONECT   15   13   40                                                 
CONECT   16   13   41                                                 
CONECT   17   18   26   10   42                                       
CONECT   18   19   23   17   43                                       
CONECT   19   24   20   18   44                                       
CONECT   20   19   21   25   45                                       
CONECT   21   26   20   22   46                                       
CONECT   22   21   27   47   48                                       
CONECT   23   18   49                                                 
CONECT   24   19   50                                                 
CONECT   25   20   51                                                 
CONECT   26   17   21                                                 
CONECT   27   22   52                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
