COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.674  -0.054   3.312  1.00  0.00           C  
HETATM    2  C   UNL     1       4.618   0.346   1.990  1.00  0.00           C  
HETATM    3  C   UNL     1       3.525   1.082   1.534  1.00  0.00           C  
HETATM    4  C   UNL     1       2.496   1.411   2.416  1.00  0.00           C  
HETATM    5  C   UNL     1       2.564   1.005   3.735  1.00  0.00           C  
HETATM    6  C   UNL     1       3.648   0.270   4.180  1.00  0.00           C  
HETATM    7  C   UNL     1       3.459   1.516   0.117  1.00  0.00           C  
HETATM    8  N   UNL     1       3.370   2.745  -0.328  1.00  0.00           N  
HETATM    9  O   UNL     1       3.334   2.776  -1.536  1.00  0.00           O  
HETATM   10  C   UNL     1       3.395   1.548  -2.069  1.00  0.00           C  
HETATM   11  C   UNL     1       3.484   0.680  -1.035  1.00  0.00           C  
HETATM   12  C   UNL     1       3.375   1.201  -3.535  1.00  0.00           C  
HETATM   13  C   UNL     1       3.479   2.354  -4.535  1.00  0.00           C  
HETATM   14  C   UNL     1       2.147   1.625  -4.344  1.00  0.00           C  
HETATM   15  C   UNL     1       3.584  -0.822  -1.090  1.00  0.00           C  
HETATM   16  O   UNL     1       2.275  -1.383  -1.211  1.00  0.00           O  
HETATM   17  C   UNL     1       2.257  -2.810  -1.271  1.00  0.00           C  
HETATM   18  C   UNL     1       1.619  -3.471  -0.036  1.00  0.00           C  
HETATM   19  C   UNL     1       0.289  -3.386  -0.784  1.00  0.00           C  
HETATM   20  C   UNL     1       1.083  -3.378  -2.090  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.547  -2.129  -0.508  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.664  -2.609   0.349  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.016  -3.939  -0.215  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.658  -4.576  -0.591  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.737  -1.748   0.290  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.778  -0.669  -0.418  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.899   0.072  -0.373  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.878  -0.473   0.469  1.00  0.00           C  
HETATM   29  S   UNL     1      -4.248  -1.966   1.161  1.00  0.00           S  
HETATM   30  C   UNL     1      -4.184   1.281  -1.049  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.380   1.901  -0.888  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.359   1.355  -0.045  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.099   0.164   0.632  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.654   2.037   0.125  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.901   3.188  -0.530  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.500   1.561   0.857  1.00  0.00           O  
HETATM   37 CL   UNL     1       5.904  -0.068   0.900  1.00  0.00          Cl  
HETATM   38 CL   UNL     1       1.132   2.329   1.857  1.00  0.00          Cl  
HETATM   39  H   UNL     1       5.519  -0.626   3.666  1.00  0.00           H  
HETATM   40  H   UNL     1       1.768   1.259   4.418  1.00  0.00           H  
HETATM   41  H   UNL     1       3.696  -0.045   5.212  1.00  0.00           H  
HETATM   42  H   UNL     1       3.852   0.258  -3.802  1.00  0.00           H  
HETATM   43  H   UNL     1       3.562   3.363  -4.133  1.00  0.00           H  
HETATM   44  H   UNL     1       4.025   2.170  -5.460  1.00  0.00           H  
HETATM   45  H   UNL     1       1.817   0.961  -5.143  1.00  0.00           H  
HETATM   46  H   UNL     1       1.355   2.155  -3.816  1.00  0.00           H  
HETATM   47  H   UNL     1       4.185  -1.115  -1.951  1.00  0.00           H  
HETATM   48  H   UNL     1       4.054  -1.189  -0.177  1.00  0.00           H  
HETATM   49  H   UNL     1       3.224  -3.234  -1.543  1.00  0.00           H  
HETATM   50  H   UNL     1       1.958  -4.492   0.139  1.00  0.00           H  
HETATM   51  H   UNL     1       1.658  -2.853   0.861  1.00  0.00           H  
HETATM   52  H   UNL     1       0.693  -2.683  -2.834  1.00  0.00           H  
HETATM   53  H   UNL     1       1.271  -4.372  -2.494  1.00  0.00           H  
HETATM   54  H   UNL     1       0.048  -1.385   0.022  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.930  -1.714  -1.441  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.526  -4.546   0.533  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.640  -3.823  -1.101  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.749  -5.144  -1.517  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.303  -5.218   0.215  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.442   1.715  -1.702  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.580   2.824  -1.413  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.849  -0.262   1.282  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.764   3.599  -0.387  1.00  0.00           H  
CONECT    1    6    6    2   39                                       
CONECT    2    3    3    1   37                                       
CONECT    3    4    7    2    2                                       
CONECT    4   38    5    5    3                                       
CONECT    5    4    4    6   40                                       
CONECT    6    5    1    1   41                                       
CONECT    7    3    8    8   11                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10                                                 
CONECT   10   11   11    9   12                                       
CONECT   11    7   15   10   10                                       
CONECT   12   10   14   13   42                                       
CONECT   13   12   14   43   44                                       
CONECT   14   12   13   45   46                                       
CONECT   15   16   11   47   48                                       
CONECT   16   17   15                                                 
CONECT   17   18   20   16   49                                       
CONECT   18   19   17   50   51                                       
CONECT   19   24   18   20   21                                       
CONECT   20   19   17   52   53                                       
CONECT   21   22   19   54   55                                       
CONECT   22   23   25   21                                            
CONECT   23   24   22   56   57                                       
CONECT   24   23   19   58   59                                       
CONECT   25   26   26   22   29                                       
CONECT   26   27   25   25                                            
CONECT   27   30   30   26   28                                       
CONECT   28   27   29   33   33                                       
CONECT   29   25   28                                                 
CONECT   30   27   27   31   60                                       
CONECT   31   30   32   32   61                                       
CONECT   32   31   31   33   34                                       
CONECT   33   28   28   32   62                                       
CONECT   34   32   36   36   35                                       
CONECT   35   34   63                                                 
CONECT   36   34   34                                                 
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
