COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.737   1.276  -0.028  1.00  0.00           C  
HETATM    2  C   UNL     1       3.745  -0.117   0.023  1.00  0.00           C  
HETATM    3  C   UNL     1       2.538  -0.810   0.103  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.114   2.787   0.055  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.796   4.147   0.035  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.800   5.086  -0.070  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.124   4.687  -0.156  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.452   3.346  -0.137  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.454   2.387  -0.038  1.00  0.00           C  
HETATM   10  C   UNL     1       5.030  -0.858  -0.008  1.00  0.00           C  
HETATM   11  C   UNL     1       5.085  -2.200  -0.061  1.00  0.00           C  
HETATM   12  C   UNL     1       7.266  -0.992  -0.018  1.00  0.00           C  
HETATM   13  C   UNL     1       9.684  -1.492  -0.043  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.163   0.738  -0.106  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.325  -0.760  -0.072  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.482  -1.410   1.138  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.631  -2.784   1.171  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.622  -3.508  -0.008  1.00  0.00           C  
HETATM   19  C   UNL     1       1.347  -0.120   0.131  1.00  0.00           C  
HETATM   20  C   UNL     1       2.541   1.961   0.001  1.00  0.00           C  
HETATM   21  C   UNL     1       1.337   1.276   0.079  1.00  0.00           C  
HETATM   22  N   UNL     1       0.247   2.153   0.096  1.00  0.00           N  
HETATM   23  C   UNL     1       0.716   3.539   0.024  1.00  0.00           C  
HETATM   24  C   UNL     1       2.249   3.445  -0.035  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.045   1.777   0.167  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.330   0.605   0.324  1.00  0.00           O  
HETATM   27  S   UNL     1       6.779  -2.683  -0.083  1.00  0.00           S  
HETATM   28  N   UNL     1       6.210  -0.240   0.009  1.00  0.00           N  
HETATM   29  N   UNL     1       8.574  -0.536  -0.002  1.00  0.00           N  
HETATM   30  O   UNL     1      -3.775   1.069  -0.020  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.464  -2.857  -1.219  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.321  -1.482  -1.250  1.00  0.00           C  
HETATM   33 CL   UNL     1      -5.801  -5.234   0.032  1.00  0.00          Cl  
HETATM   34  H   UNL     1       4.669   1.819  -0.085  1.00  0.00           H  
HETATM   35  H   UNL     1       2.537  -1.889   0.143  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.766   4.463   0.102  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.553   6.137  -0.086  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.904   5.429  -0.233  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.486   3.043  -0.203  1.00  0.00           H  
HETATM   40  H   UNL     1       4.237  -2.867  -0.085  1.00  0.00           H  
HETATM   41  H   UNL     1      10.630  -0.951  -0.023  1.00  0.00           H  
HETATM   42  H   UNL     1       9.625  -2.153   0.822  1.00  0.00           H  
HETATM   43  H   UNL     1       9.622  -2.082  -0.956  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.571   1.126  -1.039  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.695   1.181   0.736  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.489  -0.844   2.058  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.753  -3.291   2.116  1.00  0.00           H  
HETATM   48  H   UNL     1       0.415  -0.661   0.192  1.00  0.00           H  
HETATM   49  H   UNL     1       0.328   4.023  -0.873  1.00  0.00           H  
HETATM   50  H   UNL     1       0.407   4.089   0.913  1.00  0.00           H  
HETATM   51  H   UNL     1       2.696   3.941   0.826  1.00  0.00           H  
HETATM   52  H   UNL     1       2.619   3.883  -0.962  1.00  0.00           H  
HETATM   53  H   UNL     1       8.755   0.416   0.035  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.457  -3.422  -2.139  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.198  -0.974  -2.195  1.00  0.00           H  
CONECT    1    2   20   20   34                                       
CONECT    2   10    3    3    1                                       
CONECT    3    2    2   19   35                                       
CONECT    4    9    9    5   25                                       
CONECT    5    6    6    4   36                                       
CONECT    6    7    5    5   37                                       
CONECT    7    8    8    6   38                                       
CONECT    8    7    7    9   39                                       
CONECT    9    8   30    4    4                                       
CONECT   10   28   11   11    2                                       
CONECT   11   27   10   10   40                                       
CONECT   12   29   27   28   28                                       
CONECT   13   29   41   42   43                                       
CONECT   14   15   30   44   45                                       
CONECT   15   32   32   16   14                                       
CONECT   16   17   17   15   46                                       
CONECT   17   18   16   16   47                                       
CONECT   18   33   31   31   17                                       
CONECT   19    3   21   21   48                                       
CONECT   20    1    1   21   24                                       
CONECT   21   19   19   20   22                                       
CONECT   22   21   25   23                                            
CONECT   23   24   22   49   50                                       
CONECT   24   20   23   51   52                                       
CONECT   25    4   22   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   12   11                                                 
CONECT   28   12   12   10                                            
CONECT   29   13   12   53                                            
CONECT   30    9   14                                                 
CONECT   31   18   18   32   54                                       
CONECT   32   31   15   15   55                                       
CONECT   33   18                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
