COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.297  -0.401   0.016  1.00  0.00           C  
HETATM    2  C   UNL     1       0.963  -0.738  -0.061  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.453  -1.221  -0.114  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.444   0.243   0.636  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.785   0.904   0.456  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.229   2.182   0.190  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.529  -0.911  -1.127  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.331  -1.662  -0.545  1.00  0.00           C  
HETATM    9  O   UNL     1       3.181  -2.388   1.676  1.00  0.00           O  
HETATM   10  S   UNL     1       2.868  -2.102   0.320  1.00  0.00           S  
HETATM   11  O   UNL     1       3.332  -2.866  -0.785  1.00  0.00           O  
HETATM   12  C   UNL     1       4.630   0.222  -0.023  1.00  0.00           C  
HETATM   13  C   UNL     1       4.973   1.082  -1.072  1.00  0.00           C  
HETATM   14  C   UNL     1       6.223   1.662  -1.102  1.00  0.00           C  
HETATM   15  C   UNL     1       5.558  -0.038   0.990  1.00  0.00           C  
HETATM   16  C   UNL     1       6.805   0.549   0.946  1.00  0.00           C  
HETATM   17  C   UNL     1       7.139   1.395  -0.098  1.00  0.00           C  
HETATM   18 CL   UNL     1       8.711   2.129  -0.146  1.00  0.00          Cl  
HETATM   19  N   UNL     1       1.204  -1.992   0.197  1.00  0.00           N  
HETATM   20  C   UNL     1       2.087   0.171  -0.175  1.00  0.00           C  
HETATM   21  C   UNL     1       1.919   1.639  -0.472  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.331  -0.286  -0.227  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.767  -0.470  -0.340  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.939  -1.446  -0.221  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.201  -0.726  -0.438  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.757   0.367  -0.360  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.980   1.007  -0.491  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.253   2.723   1.007  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.036   2.085   1.139  1.00  0.00           C  
HETATM   30  H   UNL     1      -1.350  -2.006  -0.863  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.456  -1.667   0.881  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.663   1.003   0.617  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.421  -0.271   1.596  1.00  0.00           H  
HETATM   34  H   UNL     1     -10.182   2.677   0.085  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.335  -0.675  -2.173  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.418  -1.538  -1.058  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.584  -2.045   0.443  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.062  -2.487  -1.204  1.00  0.00           H  
HETATM   39  H   UNL     1       4.260   1.291  -1.855  1.00  0.00           H  
HETATM   40  H   UNL     1       6.489   2.327  -1.911  1.00  0.00           H  
HETATM   41  H   UNL     1       5.298  -0.697   1.805  1.00  0.00           H  
HETATM   42  H   UNL     1       7.522   0.349   1.728  1.00  0.00           H  
HETATM   43  H   UNL     1       1.906   1.792  -1.551  1.00  0.00           H  
HETATM   44  H   UNL     1       0.980   1.991  -0.043  1.00  0.00           H  
HETATM   45  H   UNL     1       2.749   2.195  -0.036  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.497   0.650  -0.419  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.871   0.314   0.410  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.764  -0.025  -1.334  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.836  -2.231  -0.971  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.942  -1.892   0.774  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.742   0.585  -1.129  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.443   3.642   1.541  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.275   2.508   1.778  1.00  0.00           H  
CONECT    1   10   12   20   20                                       
CONECT    2   19   19   20   22                                       
CONECT    3   22   23   30   31                                       
CONECT    4    5   25   32   33                                       
CONECT    5    4   26   26   29                                       
CONECT    6   27   27   28   34                                       
CONECT    7    8   26   35   36                                       
CONECT    8    7   25   37   38                                       
CONECT    9   10   10                                                 
CONECT   10    1    9    9   11                                       
CONECT   10   11   19                                                 
CONECT   11   10   10                                                 
CONECT   12    1   13   13   15                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   17   17   40                                       
CONECT   15   12   16   16   41                                       
CONECT   16   15   15   17   42                                       
CONECT   17   14   14   16   18                                       
CONECT   18   17                                                      
CONECT   19    2    2   10                                            
CONECT   20    1    1    2   21                                       
CONECT   21   20   43   44   45                                       
CONECT   22    2    3   46                                            
CONECT   23    3   24   47   48                                       
CONECT   24   23   25   49   50                                       
CONECT   25    4    8   24                                            
CONECT   26    5    5    7   27                                       
CONECT   27    6    6   26   51                                       
CONECT   28    6   29   29   52                                       
CONECT   29    5   28   28   53                                       
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
