COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.120   1.929   1.732  1.00  0.00           C  
HETATM    2  C   UNL     1       5.020   1.060   1.178  1.00  0.00           C  
HETATM    3  C   UNL     1       3.760   1.097   1.747  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.161  -0.717   0.133  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.973  -2.800   0.676  1.00  0.00           O  
HETATM    6  C   UNL     1       5.274   0.232   0.098  1.00  0.00           C  
HETATM    7  C   UNL     1       1.922  -1.390  -0.383  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.316  -2.221  -0.415  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.635  -2.046   0.340  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.713  -2.991  -0.237  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.015  -2.161  -0.170  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.569  -0.813   0.440  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.908   1.014  -1.268  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.818   1.840  -0.660  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.512   0.795   0.228  1.00  0.00           C  
HETATM   16  O   UNL     1       2.144  -2.121  -1.327  1.00  0.00           O  
HETATM   17  C   UNL     1       3.000  -0.538   0.160  1.00  0.00           C  
HETATM   18  C   UNL     1       2.749   0.304   1.245  1.00  0.00           C  
HETATM   19  C   UNL     1       4.273  -0.566  -0.414  1.00  0.00           C  
HETATM   20  S   UNL     1       6.881   0.199  -0.624  1.00  0.00           S  
HETATM   21  O   UNL     1       7.609  -0.810   0.063  1.00  0.00           O  
HETATM   22  O   UNL     1       6.688   0.194  -2.032  1.00  0.00           O  
HETATM   23  C   UNL     1       6.194   3.230   0.930  1.00  0.00           C  
HETATM   24  O   UNL     1       0.694  -1.357   0.170  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.828  -4.168   0.565  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.302   0.294  -0.180  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.364   0.509   1.207  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.481   1.193   1.346  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.811   2.182   0.536  1.00  0.00           N  
HETATM   30  C   UNL     1      -7.022   2.540  -0.471  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.376   3.579  -1.314  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.798   1.921  -1.548  1.00  0.00           N  
HETATM   33  F   UNL     1       7.594   1.597  -0.268  1.00  0.00           F  
HETATM   34  H   UNL     1       5.910   2.158   2.777  1.00  0.00           H  
HETATM   35  H   UNL     1       7.071   1.402   1.659  1.00  0.00           H  
HETATM   36  H   UNL     1       3.567   1.748   2.587  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.242  -3.678   0.372  1.00  0.00           H  
HETATM   38  H   UNL     1       0.009  -3.259  -0.344  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.458  -1.955  -1.463  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.491  -2.237   1.403  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.480  -3.252  -1.269  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.426  -2.014  -1.168  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.723  -0.815   1.518  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.989   0.858  -1.814  1.00  0.00           H  
HETATM   45  H   UNL     1       1.766   0.333   1.691  1.00  0.00           H  
HETATM   46  H   UNL     1       4.472  -1.211  -1.257  1.00  0.00           H  
HETATM   47  H   UNL     1       5.243   3.757   1.003  1.00  0.00           H  
HETATM   48  H   UNL     1       6.989   3.859   1.331  1.00  0.00           H  
HETATM   49  H   UNL     1       6.403   3.001  -0.115  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.491  -4.797   0.249  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.151   0.935   2.152  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.791   3.831  -2.045  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.210   4.055  -1.173  1.00  0.00           H  
CONECT    1    2   23   34   35                                       
CONECT    2    1    3    3    6                                       
CONECT    3    2    2   18   36                                       
CONECT    4    9   12                                                 
CONECT    5   11   37                                                 
CONECT    6    2   19   19   20                                       
CONECT    7   16   16   17   24                                       
CONECT    8    9   24   38   39                                       
CONECT    9    4    8   10   40                                       
CONECT   10    9   11   25   41                                       
CONECT   11    5   10   12   42                                       
CONECT   12    4   11   26   43                                       
CONECT   13   26   32   32   44                                       
CONECT   14   15   15   30   32                                       
CONECT   15   14   14   26   27                                       
CONECT   16    7    7                                                 
CONECT   17    7   18   18   19                                       
CONECT   18    3   17   17   45                                       
CONECT   19    6    6   17   46                                       
CONECT   20    6   21   21   22                                       
CONECT   20   22   33                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23    1   47   48   49                                       
CONECT   24    7    8                                                 
CONECT   25   10   50                                                 
CONECT   26   12   13   15                                            
CONECT   27   15   28   28                                            
CONECT   28   27   27   29   51                                       
CONECT   29   28   30   30                                            
CONECT   30   14   29   29   31                                       
CONECT   31   30   52   53                                            
CONECT   32   13   13   14                                            
CONECT   33   20                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
