COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.159  -0.167   1.468  1.00  0.00           C  
HETATM    2  C   UNL     1       6.892  -1.318   1.683  1.00  0.00           C  
HETATM    3  C   UNL     1       7.107  -2.207   0.645  1.00  0.00           C  
HETATM    4  C   UNL     1       6.587  -1.946  -0.614  1.00  0.00           C  
HETATM    5  C   UNL     1       5.852  -0.795  -0.833  1.00  0.00           C  
HETATM    6  C   UNL     1       5.637   0.098   0.208  1.00  0.00           C  
HETATM    7  N   UNL     1       4.889   1.260  -0.009  1.00  0.00           N  
HETATM    8  C   UNL     1       4.436   1.340  -1.405  1.00  0.00           C  
HETATM    9  C   UNL     1       3.691   2.660  -1.621  1.00  0.00           C  
HETATM   10  N   UNL     1       2.552   2.734  -0.695  1.00  0.00           N  
HETATM   11  C   UNL     1       3.006   2.654   0.700  1.00  0.00           C  
HETATM   12  C   UNL     1       3.750   1.334   0.917  1.00  0.00           C  
HETATM   13  C   UNL     1       1.565   1.687  -0.990  1.00  0.00           C  
HETATM   14  C   UNL     1       0.311   1.940  -0.193  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.862   1.003  -0.317  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.922   1.452   0.530  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.063   0.711   0.537  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.155  -0.426  -0.251  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.313  -1.179  -0.245  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.385  -0.796   0.551  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.292   0.343   1.339  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.131   1.091   1.336  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.559  -1.558   0.558  1.00  0.00           N  
HETATM   24  S   UNL     1      -7.904  -1.013  -0.241  1.00  0.00           S  
HETATM   25  C   UNL     1      -7.405  -0.963  -1.985  1.00  0.00           C  
HETATM   26  O   UNL     1      -8.873  -2.031  -0.029  1.00  0.00           O  
HETATM   27  O   UNL     1      -8.101   0.302   0.260  1.00  0.00           O  
HETATM   28  O   UNL     1       0.246   2.895   0.543  1.00  0.00           O  
HETATM   29  F   UNL     1       6.799  -2.815  -1.626  1.00  0.00           F  
HETATM   30  F   UNL     1       7.825  -3.332   0.858  1.00  0.00           F  
HETATM   31  H   UNL     1       5.988   0.525   2.280  1.00  0.00           H  
HETATM   32  H   UNL     1       7.298  -1.523   2.663  1.00  0.00           H  
HETATM   33  H   UNL     1       5.448  -0.590  -1.813  1.00  0.00           H  
HETATM   34  H   UNL     1       5.298   1.296  -2.070  1.00  0.00           H  
HETATM   35  H   UNL     1       3.767   0.506  -1.619  1.00  0.00           H  
HETATM   36  H   UNL     1       4.368   3.494  -1.433  1.00  0.00           H  
HETATM   37  H   UNL     1       3.329   2.709  -2.648  1.00  0.00           H  
HETATM   38  H   UNL     1       3.674   3.487   0.915  1.00  0.00           H  
HETATM   39  H   UNL     1       2.144   2.698   1.366  1.00  0.00           H  
HETATM   40  H   UNL     1       3.074   0.500   0.729  1.00  0.00           H  
HETATM   41  H   UNL     1       4.112   1.285   1.943  1.00  0.00           H  
HETATM   42  H   UNL     1       1.329   1.699  -2.054  1.00  0.00           H  
HETATM   43  H   UNL     1       1.977   0.714  -0.720  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.206   0.984  -1.351  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.558  -0.001  -0.017  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.322  -0.724  -0.870  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.385  -2.065  -0.858  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.125   0.641   1.958  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.056   1.975   1.953  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.585  -2.405   1.030  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.259  -0.676  -2.598  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.605  -0.234  -2.112  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.052  -1.948  -2.290  1.00  0.00           H  
CONECT    1    2    2    6   31                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2   30    4    4                                       
CONECT    4    3    3    5   29                                       
CONECT    5    6    6    4   33                                       
CONECT    6    1    7    5    5                                       
CONECT    7   12    6    8                                            
CONECT    8    9    7   34   35                                       
CONECT    9   10    8   36   37                                       
CONECT   10   11   13    9                                            
CONECT   11   12   10   38   39                                       
CONECT   12   11    7   40   41                                       
CONECT   13   14   10   42   43                                       
CONECT   14   28   28   15   13                                       
CONECT   15   14   16   44   45                                       
CONECT   16   15   17                                                 
CONECT   17   18   16   22   22                                       
CONECT   18   19   19   17   46                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   23   21   21                                       
CONECT   21   20   20   22   48                                       
CONECT   22   17   17   21   49                                       
CONECT   23   24   20   50                                            
CONECT   24   25   27   27   26                                       
CONECT   24   26   23                                                 
CONECT   25   24   51   52   53                                       
CONECT   26   24   24                                                 
CONECT   27   24   24                                                 
CONECT   28   14   14                                                 
CONECT   29    4                                                      
CONECT   30    3                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
