COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.517  -2.382  -0.432  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.927  -2.788  -0.571  1.00  0.00           C  
HETATM    3  C   UNL     1       0.706  -1.607   0.874  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.868  -1.855  -0.824  1.00  0.00           N  
HETATM    5  N   UNL     1      -3.753   0.139  -0.340  1.00  0.00           N  
HETATM    6  C   UNL     1       2.161  -1.252   1.041  1.00  0.00           C  
HETATM    7  S   UNL     1       6.653   2.612   0.339  1.00  0.00           S  
HETATM    8  C   UNL     1       6.041   1.260  -0.605  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.244  -3.953  -0.456  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.295  -2.210  -0.849  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.494  -0.456  -1.076  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.327   0.444  -0.157  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.054  -1.238   0.061  1.00  0.00           C  
HETATM   14  C   UNL     1       8.309   2.189  -0.071  1.00  0.00           C  
HETATM   15  O   UNL     1       2.799  -1.725   1.958  1.00  0.00           O  
HETATM   16  C   UNL     1       7.063   0.598  -1.150  1.00  0.00           C  
HETATM   17  C   UNL     1       8.314   1.110  -0.855  1.00  0.00           C  
HETATM   18  N   UNL     1       2.752  -0.407   0.173  1.00  0.00           N  
HETATM   19  O   UNL     1       1.340  -3.550  -0.415  1.00  0.00           O  
HETATM   20  O   UNL     1       0.283  -2.416   1.973  1.00  0.00           O  
HETATM   21  C   UNL     1       4.587   0.905  -0.773  1.00  0.00           C  
HETATM   22  C   UNL     1       4.167  -0.062   0.336  1.00  0.00           C  
HETATM   23  H   UNL     1       0.800  -1.750  -1.274  1.00  0.00           H  
HETATM   24  H   UNL     1       0.110  -0.695   0.844  1.00  0.00           H  
HETATM   25  C   UNL     1      -4.553   1.048   0.358  1.00  0.00           C  
HETATM   26  H   UNL     1      -3.674  -2.131  -1.867  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.425  -3.229  -0.485  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.434  -0.315  -0.863  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.697  -0.204  -2.117  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.144   1.488  -0.411  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.048   0.267   0.881  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.749  -1.390   1.097  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.124  -1.419  -0.033  1.00  0.00           H  
HETATM   34  H   UNL     1       9.189   2.721   0.261  1.00  0.00           H  
HETATM   35  H   UNL     1       6.924  -0.273  -1.774  1.00  0.00           H  
HETATM   36  H   UNL     1       9.226   0.669  -1.232  1.00  0.00           H  
HETATM   37  H   UNL     1       2.242  -0.029  -0.560  1.00  0.00           H  
HETATM   38  H   UNL     1       1.144  -4.160   0.309  1.00  0.00           H  
HETATM   39  H   UNL     1       0.772  -3.246   2.061  1.00  0.00           H  
HETATM   40  H   UNL     1       3.982   1.810  -0.714  1.00  0.00           H  
HETATM   41  H   UNL     1       4.438   0.432  -1.743  1.00  0.00           H  
HETATM   42  H   UNL     1       4.316   0.412   1.306  1.00  0.00           H  
HETATM   43  H   UNL     1       4.771  -0.967   0.277  1.00  0.00           H  
HETATM   44  C   UNL     1      -6.137   2.848   1.740  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.222   2.068   2.422  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.430   1.168   1.735  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.470   1.837  -0.326  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.259   2.734   0.367  1.00  0.00           C  
HETATM   49 CL   UNL     1      -5.624   1.695  -2.050  1.00  0.00          Cl  
HETATM   50  H   UNL     1      -6.755   3.550   2.280  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.129   2.160   3.494  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.715   0.560   2.270  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.975   3.345  -0.163  1.00  0.00           H  
CONECT    1    2    3   19   23                                       
CONECT    2    1    4    9    9                                       
CONECT    3    1    6   20   24                                       
CONECT    4    2   10   11                                            
CONECT    5   12   13   25                                            
CONECT    6    3   15   15   18                                       
CONECT    7    8   14                                                 
CONECT    8    7   16   16   21                                       
CONECT    9    2    2                                                 
CONECT   10    4   13   26   27                                       
CONECT   11    4   12   28   29                                       
CONECT   12    5   11   30   31                                       
CONECT   13    5   10   32   33                                       
CONECT   14    7   17   17   34                                       
CONECT   15    6    6                                                 
CONECT   16    8    8   17   35                                       
CONECT   17   14   14   16   36                                       
CONECT   18    6   22   37                                            
CONECT   19    1   38                                                 
CONECT   20    3   39                                                 
CONECT   21    8   22   40   41                                       
CONECT   22   18   21   42   43                                       
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    5   46   46   47                                       
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   45   45   48   50                                       
CONECT   45   44   44   46   51                                       
CONECT   46   25   25   45   52                                       
CONECT   47   25   48   48   49                                       
CONECT   48   47   47   44   53                                       
CONECT   49   47                                                      
CONECT   50   44                                                      
CONECT   51   45                                                      
CONECT   52   46                                                      
CONECT   53   48                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
