COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.637  -1.608  -0.537  1.00  0.00           C  
HETATM    2  C   UNL     1       2.224  -0.706   1.003  1.00  0.00           C  
HETATM    3  C   UNL     1       1.409  -1.433   0.026  1.00  0.00           C  
HETATM    4  C   UNL     1       2.224  -1.987  -0.914  1.00  0.00           C  
HETATM    5  C   UNL     1       4.641  -0.205   1.426  1.00  0.00           C  
HETATM    6  C   UNL     1       5.032   1.100   0.782  1.00  0.00           C  
HETATM    7  C   UNL     1       4.434   2.277   1.189  1.00  0.00           C  
HETATM    8  C   UNL     1       4.792   3.475   0.599  1.00  0.00           C  
HETATM    9  C   UNL     1       5.751   3.495  -0.399  1.00  0.00           C  
HETATM   10  O   UNL     1       1.845  -2.727  -1.971  1.00  0.00           O  
HETATM   11  N   UNL     1       3.527  -0.802   0.684  1.00  0.00           N  
HETATM   12  C   UNL     1       6.350   2.314  -0.806  1.00  0.00           C  
HETATM   13  C   UNL     1       5.994   1.119  -0.211  1.00  0.00           C  
HETATM   14  O   UNL     1       1.785  -0.103   1.964  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.062  -1.546   0.056  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.279  -2.386   0.321  1.00  0.00           S  
HETATM   17  N   UNL     1      -0.631  -2.655   0.417  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.271  -0.702  -0.227  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.909  -0.401  -0.319  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.562   0.892  -0.738  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.545   1.806  -1.033  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.783  -3.185  -0.741  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.794  -2.401   1.645  1.00  0.00           O  
HETATM   24  C   UNL     1       4.466  -2.865  -0.266  1.00  0.00           C  
HETATM   25  C   UNL     1       4.375  -3.805  -1.469  1.00  0.00           C  
HETATM   26  C   UNL     1       5.926  -2.473  -0.034  1.00  0.00           C  
HETATM   27  C   UNL     1       3.925  -3.574   0.977  1.00  0.00           C  
HETATM   28  F   UNL     1       6.102   4.665  -0.977  1.00  0.00           F  
HETATM   29  C   UNL     1       4.139   4.759   1.043  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.251   0.209  -0.527  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.893   1.482  -0.927  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.901   2.555  -1.242  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.266   1.944  -1.556  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.569   0.951  -0.513  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.693  -0.222  -0.423  1.00  0.00           C  
HETATM   36  S   UNL     1      -6.849   1.150   0.519  1.00  0.00           S  
HETATM   37  O   UNL     1      -6.478   0.422   1.681  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.045   2.556   0.566  1.00  0.00           O  
HETATM   39  C   UNL     1      -8.238   0.342  -0.322  1.00  0.00           C  
HETATM   40  H   UNL     1       4.094  -1.021  -1.334  1.00  0.00           H  
HETATM   41  H   UNL     1       5.492  -0.886   1.413  1.00  0.00           H  
HETATM   42  H   UNL     1       4.336  -0.025   2.457  1.00  0.00           H  
HETATM   43  H   UNL     1       3.685   2.262   1.968  1.00  0.00           H  
HETATM   44  H   UNL     1       0.894  -2.822  -2.122  1.00  0.00           H  
HETATM   45  H   UNL     1       7.098   2.328  -1.585  1.00  0.00           H  
HETATM   46  H   UNL     1       6.464   0.199  -0.525  1.00  0.00           H  
HETATM   47  H   UNL     1       0.477   1.169  -0.829  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.264   2.798  -1.354  1.00  0.00           H  
HETATM   49  H   UNL     1       4.760  -3.300  -2.355  1.00  0.00           H  
HETATM   50  H   UNL     1       4.965  -4.701  -1.276  1.00  0.00           H  
HETATM   51  H   UNL     1       3.334  -4.085  -1.635  1.00  0.00           H  
HETATM   52  H   UNL     1       6.070  -2.209   1.014  1.00  0.00           H  
HETATM   53  H   UNL     1       6.573  -3.313  -0.289  1.00  0.00           H  
HETATM   54  H   UNL     1       6.177  -1.618  -0.662  1.00  0.00           H  
HETATM   55  H   UNL     1       2.884  -3.853   0.812  1.00  0.00           H  
HETATM   56  H   UNL     1       4.515  -4.470   1.171  1.00  0.00           H  
HETATM   57  H   UNL     1       3.990  -2.904   1.835  1.00  0.00           H  
HETATM   58  H   UNL     1       4.715   5.197   1.857  1.00  0.00           H  
HETATM   59  H   UNL     1       4.104   5.456   0.206  1.00  0.00           H  
HETATM   60  H   UNL     1       3.125   4.551   1.385  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.996   3.221  -0.385  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.558   3.127  -2.104  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.028   2.724  -1.556  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.236   1.458  -2.531  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.925  -0.910  -1.236  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.854  -0.722   0.532  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.004  -0.711  -0.482  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.134   0.425   0.293  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.412   0.825  -1.284  1.00  0.00           H  
CONECT    1    4   11   24   40                                       
CONECT    2    3   11   14   14                                       
CONECT    3    2    4    4   15                                       
CONECT    4    1    3    3   10                                       
CONECT    5    6   11   41   42                                       
CONECT    6    5    7    7   13                                       
CONECT    7    6    6    8   43                                       
CONECT    8    7    9    9   29                                       
CONECT    9    8    8   12   28                                       
CONECT   10    4   44                                                 
CONECT   11    1    2    5                                            
CONECT   12    9   13   13   45                                       
CONECT   13    6   12   12   46                                       
CONECT   14    2    2                                                 
CONECT   15    3   17   17   19                                       
CONECT   16   17   18   22   22                                       
CONECT   16   23   23                                                 
CONECT   17   15   15   16                                            
CONECT   18   16   19   19   30                                       
CONECT   19   15   18   18   20                                       
CONECT   20   19   21   21   47                                       
CONECT   21   20   20   31   48                                       
CONECT   22   16   16                                                 
CONECT   23   16   16                                                 
CONECT   24    1   25   26   27                                       
CONECT   25   24   49   50   51                                       
CONECT   26   24   52   53   54                                       
CONECT   27   24   55   56   57                                       
CONECT   28    9                                                      
CONECT   29    8   58   59   60                                       
CONECT   30   18   31   31   35                                       
CONECT   31   21   30   30   32                                       
CONECT   32   31   33   61   62                                       
CONECT   33   32   34   63   64                                       
CONECT   34   33   35   36                                            
CONECT   35   30   34   65   66                                       
CONECT   36   34   37   37   38                                       
CONECT   36   38   39                                                 
CONECT   37   36   36                                                 
CONECT   38   36   36                                                 
CONECT   39   36   67   68   69                                       
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
