COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.612  -0.959  -1.489  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.980  -1.327  -0.124  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.597  -1.833   2.189  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.346  -1.512   0.064  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.828  -1.856   1.313  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.955  -2.016   2.373  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.107  -1.490   0.945  1.00  0.00           C  
HETATM    8  C   UNL     1       0.051  -2.237  -1.215  1.00  0.00           C  
HETATM    9  C   UNL     1       1.622   0.098  -1.427  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.481   1.355  -1.786  1.00  0.00           O  
HETATM   11  C   UNL     1       0.124   0.166  -1.572  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.358  -0.896  -1.715  1.00  0.00           S  
HETATM   13 CL   UNL     1      -5.442  -1.311  -1.266  1.00  0.00          Cl  
HETATM   14  N   UNL     1       1.323  -2.250  -0.776  1.00  0.00           N  
HETATM   15  C   UNL     1       2.004  -1.000  -0.436  1.00  0.00           C  
HETATM   16  C   UNL     1       3.495  -1.216  -0.482  1.00  0.00           C  
HETATM   17  C   UNL     1       4.353  -0.238  -0.775  1.00  0.00           C  
HETATM   18  S   UNL     1       5.997  -0.862  -0.731  1.00  0.00           S  
HETATM   19  C   UNL     1       5.409  -2.464  -0.304  1.00  0.00           C  
HETATM   20  C   UNL     1       4.078  -2.443  -0.216  1.00  0.00           C  
HETATM   21  C   UNL     1       1.607  -0.577   0.954  1.00  0.00           C  
HETATM   22  N   UNL     1       1.020   0.590   1.137  1.00  0.00           N  
HETATM   23  C   UNL     1       0.653   1.003   2.341  1.00  0.00           C  
HETATM   24  N   UNL     1       0.037   2.241   2.488  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.086   3.096   1.387  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.196   3.921   1.268  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.316   4.765   0.181  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.329   4.788  -0.790  1.00  0.00           C  
HETATM   29  F   UNL     1      -0.447   5.614  -1.852  1.00  0.00           F  
HETATM   30  C   UNL     1       0.780   3.966  -0.673  1.00  0.00           C  
HETATM   31  C   UNL     1       0.906   3.125   0.415  1.00  0.00           C  
HETATM   32  C   UNL     1       0.879   0.208   3.460  1.00  0.00           C  
HETATM   33  C   UNL     1       1.493  -1.021   3.300  1.00  0.00           C  
HETATM   34  C   UNL     1       1.856  -1.418   2.020  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.547  -3.284  -1.384  1.00  0.00           O  
HETATM   36  H   UNL     1      -1.918  -1.959   3.020  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.889  -2.000   1.460  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.335  -2.284   3.348  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.045  -1.351   0.801  1.00  0.00           H  
HETATM   40  H   UNL     1       2.069  -0.119  -2.397  1.00  0.00           H  
HETATM   41  H   UNL     1       1.992   1.057  -1.065  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.447   1.310  -1.788  1.00  0.00           H  
HETATM   43  H   UNL     1       1.792  -3.094  -0.683  1.00  0.00           H  
HETATM   44  H   UNL     1       4.080   0.782  -1.005  1.00  0.00           H  
HETATM   45  H   UNL     1       6.030  -3.330  -0.134  1.00  0.00           H  
HETATM   46  H   UNL     1       3.499  -3.318   0.040  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.307   2.512   3.353  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.967   3.903   2.025  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.179   5.406   0.088  1.00  0.00           H  
HETATM   50  H   UNL     1       1.548   3.986  -1.432  1.00  0.00           H  
HETATM   51  H   UNL     1       1.772   2.487   0.507  1.00  0.00           H  
HETATM   52  H   UNL     1       0.580   0.547   4.441  1.00  0.00           H  
HETATM   53  H   UNL     1       1.681  -1.660   4.150  1.00  0.00           H  
HETATM   54  H   UNL     1       2.333  -2.374   1.860  1.00  0.00           H  
CONECT    1   12   11   11    8                                       
CONECT    2    4    4    7   12                                       
CONECT    3    6    7    7   36                                       
CONECT    4    5   13    2    2                                       
CONECT    5    6    6    4   37                                       
CONECT    6    5    5    3   38                                       
CONECT    7    3    3    2   39                                       
CONECT    8    1   35   35   14                                       
CONECT    9   11   15   40   41                                       
CONECT   10   11   42                                                 
CONECT   11   10    1    1    9                                       
CONECT   12    2    1                                                 
CONECT   13    4                                                      
CONECT   14   15    8   43                                            
CONECT   15    9   21   14   16                                       
CONECT   16   15   20   17   17                                       
CONECT   17   16   16   18   44                                       
CONECT   18   17   19                                                 
CONECT   19   20   20   18   45                                       
CONECT   20   16   19   19   46                                       
CONECT   21   22   22   15   34                                       
CONECT   22   23   21   21                                            
CONECT   23   24   32   32   22                                       
CONECT   24   25   23   47                                            
CONECT   25   26   24   31   31                                       
CONECT   26   27   27   25   48                                       
CONECT   27   26   26   28   49                                       
CONECT   28   27   29   30   30                                       
CONECT   29   28                                                      
CONECT   30   28   28   31   50                                       
CONECT   31   25   25   30   51                                       
CONECT   32   23   23   33   52                                       
CONECT   33   32   34   34   53                                       
CONECT   34   33   33   21   54                                       
CONECT   35    8    8                                                 
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
