COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.182   0.869  -0.115  1.00  0.00           C  
HETATM    2  C   UNL     1       6.175   0.229  -0.824  1.00  0.00           C  
HETATM    3  C   UNL     1       4.960  -0.026  -0.220  1.00  0.00           C  
HETATM    4  O   UNL     1       3.550   0.104   1.692  1.00  0.00           O  
HETATM    5  O   UNL     1      -7.067  -1.854   0.309  1.00  0.00           O  
HETATM    6  C   UNL     1       0.533  -0.807  -0.125  1.00  0.00           C  
HETATM    7  C   UNL     1       1.459  -0.052   0.567  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.749  -0.174  -0.603  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.625   0.172  -2.088  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.158  -0.634  -0.272  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.635  -0.732   0.191  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.551   0.476   0.245  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.890   1.828   0.071  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.705   3.095   0.109  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.826   0.760  -0.134  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.611   1.870  -0.094  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.318  -0.502   0.005  1.00  0.00           N  
HETATM   18  N   UNL     1      -4.225  -1.377  -0.091  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.515   0.652  -0.295  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.858  -1.112  -0.411  1.00  0.00           N  
HETATM   21  C   UNL     1       0.783  -2.141  -0.386  1.00  0.00           C  
HETATM   22  C   UNL     1       1.958  -2.725   0.050  1.00  0.00           C  
HETATM   23  C   UNL     1       2.885  -1.976   0.747  1.00  0.00           C  
HETATM   24  C   UNL     1       2.639  -0.635   1.006  1.00  0.00           C  
HETATM   25  C   UNL     1       4.746   0.356   1.096  1.00  0.00           C  
HETATM   26  C   UNL     1       5.752   0.996   1.805  1.00  0.00           C  
HETATM   27  C   UNL     1       6.968   1.252   1.201  1.00  0.00           C  
HETATM   28  O   UNL     1       8.380   1.115  -0.709  1.00  0.00           O  
HETATM   29  C   UNL     1       8.531   0.694  -2.066  1.00  0.00           C  
HETATM   30  H   UNL     1       6.342  -0.068  -1.849  1.00  0.00           H  
HETATM   31  H   UNL     1       4.176  -0.524  -0.772  1.00  0.00           H  
HETATM   32  H   UNL     1       1.265   0.992   0.766  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.940   0.735  -0.032  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.552   0.630  -2.433  1.00  0.00           H  
HETATM   35  H   UNL     1       0.200   0.870  -2.230  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.434  -0.737  -2.658  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.300   0.369  -0.540  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.071   0.465   1.204  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.760   3.462   1.133  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.234   3.849  -0.522  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.711   2.891  -0.259  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.686  -2.066  -0.382  1.00  0.00           H  
HETATM   43  H   UNL     1       0.059  -2.729  -0.931  1.00  0.00           H  
HETATM   44  H   UNL     1       2.151  -3.768  -0.154  1.00  0.00           H  
HETATM   45  H   UNL     1       3.803  -2.433   1.088  1.00  0.00           H  
HETATM   46  H   UNL     1       5.585   1.294   2.830  1.00  0.00           H  
HETATM   47  H   UNL     1       7.751   1.749   1.752  1.00  0.00           H  
HETATM   48  H   UNL     1       9.530   0.951  -2.417  1.00  0.00           H  
HETATM   49  H   UNL     1       8.389  -0.385  -2.129  1.00  0.00           H  
HETATM   50  H   UNL     1       7.788   1.195  -2.687  1.00  0.00           H  
CONECT    1   28    2    2   27                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2   25   25   31                                       
CONECT    4   25   24                                                 
CONECT    5   11   11                                                 
CONECT    6   21   21    7    8                                       
CONECT    7   24   24    6   32                                       
CONECT    8    6   20    9   33                                       
CONECT    9    8   34   35   36                                       
CONECT   10   18   18   19   20                                       
CONECT   11    5    5   12   17                                       
CONECT   12   11   13   37   38                                       
CONECT   13   12   14   16   16                                       
CONECT   14   13   39   40   41                                       
CONECT   15   17   16   19   19                                       
CONECT   16   13   13   15                                            
CONECT   17   11   18   15                                            
CONECT   18   17   10   10                                            
CONECT   19   15   15   10                                            
CONECT   20   10    8   42                                            
CONECT   21   22    6    6   43                                       
CONECT   22   23   23   21   44                                       
CONECT   23   22   22   24   45                                       
CONECT   24   23    4    7    7                                       
CONECT   25    3    3   26    4                                       
CONECT   26   27   27   25   46                                       
CONECT   27    1   26   26   47                                       
CONECT   28   29    1                                                 
CONECT   29   28   48   49   50                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
