COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.846   0.387  -1.487  1.00  0.00           C  
HETATM    2  C   UNL     1       2.690   1.411  -1.098  1.00  0.00           C  
HETATM    3 CL   UNL     1       2.778   2.869  -2.036  1.00  0.00          Cl  
HETATM    4  C   UNL     1       3.465   1.274   0.040  1.00  0.00           C  
HETATM    5  C   UNL     1       3.394   0.112   0.788  1.00  0.00           C  
HETATM    6 CL   UNL     1       4.365  -0.061   2.216  1.00  0.00          Cl  
HETATM    7  C   UNL     1       2.549  -0.911   0.397  1.00  0.00           C  
HETATM    8  C   UNL     1       1.772  -0.771  -0.737  1.00  0.00           C  
HETATM    9  S   UNL     1       0.696  -2.075  -1.234  1.00  0.00           S  
HETATM   10  O   UNL     1       0.479  -1.908  -2.628  1.00  0.00           O  
HETATM   11  O   UNL     1       1.222  -3.267  -0.667  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.763  -1.812  -0.499  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.048  -2.379   0.812  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.265  -3.287   0.749  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.098  -3.061  -0.501  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.172  -1.612  -0.943  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.794  -1.005  -1.166  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.749   0.392  -0.584  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.353   1.319  -1.263  1.00  0.00           O  
HETATM   20  N   UNL     1      -2.149   0.615   0.680  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.318   2.020   1.098  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.986   2.759   0.955  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.355   2.681   0.227  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.898   2.052  -0.650  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.676   3.969   0.426  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.404  -0.435   1.659  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.179  -1.312   1.889  1.00  0.00           C  
HETATM   28  C   UNL     1       0.091  -0.462   1.938  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.001   0.524   3.104  1.00  0.00           C  
HETATM   30  H   UNL     1       1.241   0.495  -2.376  1.00  0.00           H  
HETATM   31  H   UNL     1       4.124   2.073   0.345  1.00  0.00           H  
HETATM   32  H   UNL     1       2.495  -1.819   0.980  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.191  -3.009   1.082  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.931  -4.328   0.772  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.887  -3.109   1.630  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.676  -3.658  -1.317  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.114  -3.425  -0.316  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.722  -1.578  -1.900  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.747  -1.024  -0.233  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.573  -0.956  -2.240  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.642   2.053   2.138  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.111   3.796   1.264  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.236   2.280   1.585  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.661   2.725  -0.085  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.346   4.350  -0.158  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.670   0.043   2.617  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.253  -1.049   1.367  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.290  -1.815   2.861  1.00  0.00           H  
HETATM   49  H   UNL     1       0.957  -1.109   2.077  1.00  0.00           H  
HETATM   50  H   UNL     1       0.195   0.089   1.003  1.00  0.00           H  
HETATM   51  H   UNL     1       0.904   1.131   3.139  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.867   1.172   2.965  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.105  -0.027   4.039  1.00  0.00           H  
CONECT    1    2    2    8   30                                       
CONECT    2    4    3    1    1                                       
CONECT    3    2                                                      
CONECT    4    5    5    2   31                                       
CONECT    5    6    4    4    7                                       
CONECT    6    5                                                      
CONECT    7    5    8    8   32                                       
CONECT    8    7    7    1    9                                       
CONECT    9    8   10   10   12                                       
CONECT    9   11   11                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13    9   17                                            
CONECT   13   27   14   12   33                                       
CONECT   14   13   15   34   35                                       
CONECT   15   14   16   36   37                                       
CONECT   16   15   17   38   39                                       
CONECT   17   12   18   16   40                                       
CONECT   18   20   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   26   21   18                                            
CONECT   21   22   20   23   41                                       
CONECT   22   21   42   43   44                                       
CONECT   23   24   24   25   21                                       
CONECT   24   23   23                                                 
CONECT   25   23   45                                                 
CONECT   26   27   20   46   47                                       
CONECT   27   28   13   26   48                                       
CONECT   28   29   27   49   50                                       
CONECT   29   28   51   52   53                                       
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
