COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.208   0.302  -2.638  1.00  0.00           O  
HETATM    2  S   UNL     1       2.156  -0.379  -1.827  1.00  0.00           S  
HETATM    3  O   UNL     1       3.281  -1.066  -2.358  1.00  0.00           O  
HETATM    4  C   UNL     1       2.789   0.812  -0.694  1.00  0.00           C  
HETATM    5  C   UNL     1       2.042   1.932  -0.379  1.00  0.00           C  
HETATM    6  C   UNL     1       2.539   2.866   0.510  1.00  0.00           C  
HETATM    7  C   UNL     1       1.725   4.087   0.853  1.00  0.00           C  
HETATM    8  C   UNL     1       3.783   2.681   1.084  1.00  0.00           C  
HETATM    9  C   UNL     1       4.325   3.700   2.054  1.00  0.00           C  
HETATM   10  C   UNL     1       4.530   1.561   0.770  1.00  0.00           C  
HETATM   11  C   UNL     1       4.030   0.624  -0.116  1.00  0.00           C  
HETATM   12  N   UNL     1       1.303  -1.491  -0.944  1.00  0.00           N  
HETATM   13  C   UNL     1       1.962  -2.710  -0.468  1.00  0.00           C  
HETATM   14  C   UNL     1       2.189  -2.610   1.042  1.00  0.00           C  
HETATM   15  F   UNL     1       0.953  -2.579   1.698  1.00  0.00           F  
HETATM   16  F   UNL     1       2.921  -3.720   1.477  1.00  0.00           F  
HETATM   17  F   UNL     1       2.900  -1.440   1.331  1.00  0.00           F  
HETATM   18  C   UNL     1      -0.047  -1.266  -0.653  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.014  -2.137  -1.136  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.349  -1.918  -0.849  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.416  -0.175   0.124  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.751   0.046   0.411  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.721  -0.829  -0.078  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.072  -0.599   0.227  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.911  -1.685   0.739  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.837  -1.709   2.267  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.126   1.115   1.162  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.717   2.216   0.478  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.735   1.724  -0.549  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.996   1.174  -1.771  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.628   2.890  -0.978  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.590   0.636   0.044  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.737   0.869   0.364  1.00  0.00           O  
HETATM   34  H   UNL     1       1.071   2.077  -0.828  1.00  0.00           H  
HETATM   35  H   UNL     1       1.093   3.872   1.715  1.00  0.00           H  
HETATM   36  H   UNL     1       2.394   4.915   1.090  1.00  0.00           H  
HETATM   37  H   UNL     1       1.099   4.358   0.002  1.00  0.00           H  
HETATM   38  H   UNL     1       4.019   3.436   3.066  1.00  0.00           H  
HETATM   39  H   UNL     1       5.413   3.715   1.995  1.00  0.00           H  
HETATM   40  H   UNL     1       3.933   4.685   1.802  1.00  0.00           H  
HETATM   41  H   UNL     1       5.501   1.416   1.219  1.00  0.00           H  
HETATM   42  H   UNL     1       4.612  -0.253  -0.358  1.00  0.00           H  
HETATM   43  H   UNL     1       1.332  -3.572  -0.685  1.00  0.00           H  
HETATM   44  H   UNL     1       2.921  -2.825  -0.973  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.724  -2.986  -1.737  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.101  -2.596  -1.225  1.00  0.00           H  
HETATM   47  H   UNL     1       0.338   0.499   0.503  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.943  -1.525   0.428  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.555  -2.636   0.343  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.193  -0.758   2.663  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.461  -2.518   2.648  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.805  -1.869   2.579  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.217   2.862   1.199  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.938   2.785  -0.031  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.192   0.515  -1.444  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.693   0.614  -2.395  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.578   2.001  -2.345  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.014   3.674  -1.421  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.355   2.540  -1.711  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.151   3.286  -0.108  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    3    1    1                                       
CONECT    2    4   12                                                 
CONECT    3    2    2                                                 
CONECT    4    2   11   11    5                                       
CONECT    5    4    6    6   34                                       
CONECT    6    5    5    8    7                                       
CONECT    7    6   35   36   37                                       
CONECT    8   10   10    6    9                                       
CONECT    9    8   38   39   40                                       
CONECT   10   11    8    8   41                                       
CONECT   11    4    4   10   42                                       
CONECT   12    2   13   18                                            
CONECT   13   12   14   43   44                                       
CONECT   14   13   17   15   16                                       
CONECT   15   14                                                      
CONECT   16   14                                                      
CONECT   17   14                                                      
CONECT   18   12   19   19   21                                       
CONECT   19   18   18   20   45                                       
CONECT   20   19   23   23   46                                       
CONECT   21   18   22   22   47                                       
CONECT   22   21   21   23   27                                       
CONECT   23   20   20   22   24                                       
CONECT   24   23   25   32                                            
CONECT   25   24   26   48   49                                       
CONECT   26   25   50   51   52                                       
CONECT   27   22   28                                                 
CONECT   28   27   29   53   54                                       
CONECT   29   28   32   31   30                                       
CONECT   30   29   55   56   57                                       
CONECT   31   29   58   59   60                                       
CONECT   32   24   29   33   33                                       
CONECT   33   32   32                                                 
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
