COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.135   1.297   0.467  1.00  0.00           C  
HETATM    2  C   UNL     1       3.655   0.029   0.169  1.00  0.00           C  
HETATM    3  C   UNL     1       8.101  -0.199  -0.971  1.00  0.00           C  
HETATM    4  C   UNL     1       5.983  -0.825   0.192  1.00  0.00           C  
HETATM    5  C   UNL     1       6.655  -2.140   0.601  1.00  0.00           C  
HETATM    6  C   UNL     1       8.167  -1.923   0.695  1.00  0.00           C  
HETATM    7  C   UNL     1       6.585  -0.346  -1.132  1.00  0.00           C  
HETATM    8  C   UNL     1       2.289  -0.174   0.011  1.00  0.00           C  
HETATM    9  C   UNL     1       3.255   2.352   0.613  1.00  0.00           C  
HETATM   10 CL   UNL     1       0.792   3.474   0.644  1.00  0.00          Cl  
HETATM   11  C   UNL     1       1.895   2.146   0.461  1.00  0.00           C  
HETATM   12  N   UNL     1       4.543  -1.041   0.026  1.00  0.00           N  
HETATM   13  O   UNL     1       8.658  -1.449  -0.561  1.00  0.00           O  
HETATM   14 CL   UNL     1       1.684  -1.758  -0.362  1.00  0.00          Cl  
HETATM   15  C   UNL     1       1.414   0.886   0.152  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.068   0.666  -0.013  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.790   1.041   1.286  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.276   0.895   1.082  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.843   1.070  -0.194  1.00  0.00           C  
HETATM   20  S   UNL     1      -4.583   0.885  -0.395  1.00  0.00           S  
HETATM   21  C   UNL     1      -4.842  -0.825  -0.058  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.134  -1.336   0.006  1.00  0.00           C  
HETATM   23 CL   UNL     1      -7.496  -0.289  -0.247  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -6.332  -2.677   0.270  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.247  -3.512   0.471  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.961  -3.007   0.409  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.755  -1.668   0.140  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.086   1.376  -1.267  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.674   1.530  -2.472  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.595   1.550  -1.146  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.990   0.624   2.027  1.00  0.00           O  
HETATM   32  H   UNL     1       5.196   1.458   0.590  1.00  0.00           H  
HETATM   33  H   UNL     1       8.540   0.101  -1.922  1.00  0.00           H  
HETATM   34  H   UNL     1       8.314   0.559  -0.217  1.00  0.00           H  
HETATM   35  H   UNL     1       6.152  -0.073   0.963  1.00  0.00           H  
HETATM   36  H   UNL     1       6.271  -2.459   1.570  1.00  0.00           H  
HETATM   37  H   UNL     1       6.441  -2.905  -0.146  1.00  0.00           H  
HETATM   38  H   UNL     1       8.382  -1.188   1.470  1.00  0.00           H  
HETATM   39  H   UNL     1       8.655  -2.866   0.943  1.00  0.00           H  
HETATM   40  H   UNL     1       6.152   0.617  -1.402  1.00  0.00           H  
HETATM   41  H   UNL     1       6.371  -1.075  -1.914  1.00  0.00           H  
HETATM   42  H   UNL     1       3.629   3.338   0.845  1.00  0.00           H  
HETATM   43  H   UNL     1       4.207  -1.926  -0.182  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.257  -0.382  -0.248  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.465   0.378   2.088  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.557   2.073   1.547  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.335  -3.075   0.320  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.405  -4.560   0.678  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.117  -3.662   0.567  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.750  -1.276   0.087  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.640   1.482  -2.446  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.368   2.593  -0.928  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.118   1.262  -2.083  1.00  0.00           H  
CONECT    1    9    9    2   32                                       
CONECT    2    1    8    8   12                                       
CONECT    3   13    7   33   34                                       
CONECT    4    5    7   12   35                                       
CONECT    5    6    4   36   37                                       
CONECT    6    5   13   38   39                                       
CONECT    7    3    4   40   41                                       
CONECT    8    2    2   15   14                                       
CONECT    9    1    1   11   42                                       
CONECT   10   11                                                      
CONECT   11   10    9   15   15                                       
CONECT   12    2    4   43                                            
CONECT   13    6    3                                                 
CONECT   14    8                                                      
CONECT   15   11   11    8   16                                       
CONECT   16   15   17   30   44                                       
CONECT   17   16   18   45   46                                       
CONECT   18   17   31   31   19                                       
CONECT   19   18   28   28   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   27   27   22                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22                                                      
CONECT   24   22   22   25   47                                       
CONECT   25   26   26   24   48                                       
CONECT   26   27   25   25   49                                       
CONECT   27   21   21   26   50                                       
CONECT   28   30   19   19   29                                       
CONECT   29   28   51                                                 
CONECT   30   16   28   52   53                                       
CONECT   31   18   18                                                 
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   12                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
