COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.717   3.610  -1.515  1.00  0.00           C  
HETATM    2  N   UNL     1       1.409   2.655  -0.646  1.00  0.00           N  
HETATM    3  C   UNL     1       0.838   2.279   0.575  1.00  0.00           C  
HETATM    4  C   UNL     1       1.465   2.615   1.768  1.00  0.00           C  
HETATM    5  C   UNL     1       0.902   2.243   2.974  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.286   1.536   2.997  1.00  0.00           C  
HETATM    7  F   UNL     1      -0.834   1.174   4.178  1.00  0.00           F  
HETATM    8  C   UNL     1      -0.919   1.198   1.805  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.125   0.489   1.828  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.987   0.591   0.797  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.765   1.375  -0.105  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.201  -0.251   0.763  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.458  -1.153   1.798  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.592  -1.936   1.763  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.478  -1.833   0.706  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.233  -0.941  -0.328  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.107  -0.844  -1.364  1.00  0.00           O  
HETATM   18  C   UNL     1      -8.226  -1.732  -1.354  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.141  -1.414  -2.539  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.732  -3.176  -1.464  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.974  -1.564  -0.097  1.00  0.00           C  
HETATM   22  N   UNL     1      -9.552  -1.435   0.872  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.098  -0.144  -0.301  1.00  0.00           C  
HETATM   24 CL   UNL     1      -4.788   0.974  -1.592  1.00  0.00          Cl  
HETATM   25  C   UNL     1      -0.358   1.575   0.594  1.00  0.00           C  
HETATM   26  C   UNL     1       2.635   2.123  -1.034  1.00  0.00           C  
HETATM   27  C   UNL     1       3.200   2.506  -2.249  1.00  0.00           C  
HETATM   28  C   UNL     1       4.402   1.985  -2.631  1.00  0.00           C  
HETATM   29  C   UNL     1       5.052   1.063  -1.779  1.00  0.00           C  
HETATM   30  N   UNL     1       6.231   0.433  -1.954  1.00  0.00           N  
HETATM   31  C   UNL     1       6.624  -0.373  -1.031  1.00  0.00           C  
HETATM   32  N   UNL     1       7.808  -1.094  -1.061  1.00  0.00           N  
HETATM   33  C   UNL     1       8.126  -1.911  -0.038  1.00  0.00           C  
HETATM   34  O   UNL     1       7.376  -2.016   0.909  1.00  0.00           O  
HETATM   35  C   UNL     1       9.413  -2.695  -0.072  1.00  0.00           C  
HETATM   36  C   UNL     1       9.715  -3.607   1.118  1.00  0.00           C  
HETATM   37  C   UNL     1       9.311  -4.214  -0.228  1.00  0.00           C  
HETATM   38  S   UNL     1       5.449  -0.429   0.276  1.00  0.00           S  
HETATM   39  C   UNL     1       4.426   0.727  -0.576  1.00  0.00           C  
HETATM   40  N   UNL     1       3.254   1.265  -0.244  1.00  0.00           N  
HETATM   41  H   UNL     1       0.060   3.070  -2.197  1.00  0.00           H  
HETATM   42  H   UNL     1       0.125   4.293  -0.906  1.00  0.00           H  
HETATM   43  H   UNL     1       1.450   4.177  -2.089  1.00  0.00           H  
HETATM   44  H   UNL     1       2.393   3.166   1.753  1.00  0.00           H  
HETATM   45  H   UNL     1       1.391   2.505   3.901  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.341  -0.076   2.587  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.769  -1.237   2.625  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.790  -2.633   2.565  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.364  -2.450   0.684  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.421  -0.361  -2.508  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.615  -1.623  -3.470  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.037  -2.031  -2.481  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.587  -3.848  -1.537  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.112  -3.281  -2.354  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.146  -3.428  -0.581  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.847   1.314  -0.333  1.00  0.00           H  
HETATM   57  H   UNL     1       2.688   3.211  -2.887  1.00  0.00           H  
HETATM   58  H   UNL     1       4.851   2.273  -3.571  1.00  0.00           H  
HETATM   59  H   UNL     1       8.408  -1.009  -1.819  1.00  0.00           H  
HETATM   60  H   UNL     1      10.255  -2.195  -0.550  1.00  0.00           H  
HETATM   61  H   UNL     1      10.757  -3.708   1.423  1.00  0.00           H  
HETATM   62  H   UNL     1       8.984  -3.640   1.926  1.00  0.00           H  
HETATM   63  H   UNL     1       8.313  -4.646  -0.306  1.00  0.00           H  
HETATM   64  H   UNL     1      10.087  -4.713  -0.808  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    3    1   26                                            
CONECT    3   25    2    4    4                                       
CONECT    4    3    3    5   44                                       
CONECT    5    6    6    4   45                                       
CONECT    6    8    7    5    5                                       
CONECT    7    6                                                      
CONECT    8    9   25   25    6                                       
CONECT    9   10    8   46                                            
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   23   23   13   10                                       
CONECT   13   14   14   12   47                                       
CONECT   14   15   13   13   48                                       
CONECT   15   16   16   14   49                                       
CONECT   16   17   15   15   23                                       
CONECT   17   18   16                                                 
CONECT   18   20   19   21   17                                       
CONECT   19   18   50   51   52                                       
CONECT   20   18   53   54   55                                       
CONECT   21   22   22   22   18                                       
CONECT   22   21   21   21                                            
CONECT   23   16   24   12   12                                       
CONECT   24   23                                                      
CONECT   25    8    8    3   56                                       
CONECT   26   27    2   40   40                                       
CONECT   27   28   28   26   57                                       
CONECT   28   27   27   29   58                                       
CONECT   29   28   39   39   30                                       
CONECT   30   29   31   31                                            
CONECT   31   30   30   38   32                                       
CONECT   32   31   33   59                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   37   36   33   60                                       
CONECT   36   37   35   61   62                                       
CONECT   37   36   35   63   64                                       
CONECT   38   39   31                                                 
CONECT   39   40   29   29   38                                       
CONECT   40   26   26   39                                            
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    9                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   32                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
