COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.902  -0.958  -1.115  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.156  -3.479  -0.635  1.00  0.00           C  
HETATM    3  C   UNL     1       0.513   2.158   1.755  1.00  0.00           C  
HETATM    4  C   UNL     1       2.513   0.420   0.067  1.00  0.00           C  
HETATM    5  C   UNL     1       4.619  -0.565  -0.438  1.00  0.00           C  
HETATM    6  C   UNL     1       6.342  -0.934   1.189  1.00  0.00           C  
HETATM    7  C   UNL     1       6.888  -0.882  -1.147  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.805   0.650  -2.523  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.769   0.851  -1.447  1.00  0.00           C  
HETATM   10  N   UNL     1       0.490   0.350  -1.461  1.00  0.00           N  
HETATM   11  C   UNL     1       1.135   0.747  -0.311  1.00  0.00           C  
HETATM   12  C   UNL     1       0.248   1.508   0.421  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.943   1.568  -0.310  1.00  0.00           C  
HETATM   14  S   UNL     1      -2.410   2.421   0.164  1.00  0.00           S  
HETATM   15  O   UNL     1      -1.995   3.516   0.969  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.185   2.574  -1.017  1.00  0.00           O  
HETATM   17  N   UNL     1      -3.266   1.409   1.157  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.763   0.201   0.662  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.406   0.186  -0.585  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.775  -2.170  -0.403  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.760  -4.215   0.412  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.112  -3.403   1.349  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.096  -2.160   0.902  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.597  -0.936   1.395  1.00  0.00           C  
HETATM   25  O   UNL     1       2.971   0.833   1.116  1.00  0.00           O  
HETATM   26  N   UNL     1       3.273  -0.338  -0.748  1.00  0.00           N  
HETATM   27  C   UNL     1       5.014  -0.704   0.886  1.00  0.00           C  
HETATM   28  C   UNL     1       7.279  -1.026   0.173  1.00  0.00           C  
HETATM   29  C   UNL     1       5.561  -0.658  -1.455  1.00  0.00           C  
HETATM   30  F   UNL     1       8.577  -1.255   0.472  1.00  0.00           F  
HETATM   31  H   UNL     1      -5.397  -0.941  -2.075  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.680  -3.843  -1.506  1.00  0.00           H  
HETATM   33  H   UNL     1       0.909   3.161   1.598  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.416   2.218   2.321  1.00  0.00           H  
HETATM   35  H   UNL     1       1.239   1.564   2.310  1.00  0.00           H  
HETATM   36  H   UNL     1       6.649  -1.046   2.218  1.00  0.00           H  
HETATM   37  H   UNL     1       7.621  -0.954  -1.938  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.387  -0.246  -2.303  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.468   1.514  -2.556  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.310   0.534  -3.487  1.00  0.00           H  
HETATM   41  H   UNL     1       0.873  -0.198  -2.164  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.421   1.655   2.082  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.508   1.110  -1.136  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.901  -5.170   0.506  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.099  -0.898   2.352  1.00  0.00           H  
HETATM   46  H   UNL     1       2.888  -0.727  -1.548  1.00  0.00           H  
HETATM   47  H   UNL     1       4.284  -0.633   1.678  1.00  0.00           H  
HETATM   48  H   UNL     1       5.255  -0.554  -2.486  1.00  0.00           H  
CONECT    1   19   19   20   31                                       
CONECT    2   20   20   21   32                                       
CONECT    3   12   33   34   35                                       
CONECT    4   11   25   25   26                                       
CONECT    5   26   27   27   29                                       
CONECT    6   27   28   28   36                                       
CONECT    7   29   29   28   37                                       
CONECT    8    9   38   39   40                                       
CONECT    9    8   13   13   10                                       
CONECT   10    9   11   41                                            
CONECT   11   12   12   10    4                                       
CONECT   12   13    3   11   11                                       
CONECT   13   14    9    9   12                                       
CONECT   14   16   16   15   15                                       
CONECT   14   17   13                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   42                                            
CONECT   18   17   24   24   19                                       
CONECT   19   18    1    1   43                                       
CONECT   20   23    1    2    2                                       
CONECT   21   22    2   44                                            
CONECT   22   23   23   21                                            
CONECT   23   24   22   22   20                                       
CONECT   24   18   18   23   45                                       
CONECT   25    4    4                                                 
CONECT   26    4    5   46                                            
CONECT   27    5    5    6   47                                       
CONECT   28    6    6    7   30                                       
CONECT   29    5    7    7   48                                       
CONECT   30   28                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
