COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.302   0.915  -0.267  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.640   1.279  -0.193  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.004   2.602  -0.349  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.038   3.564  -0.578  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.705   3.205  -0.652  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.334   1.884  -0.497  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.655   4.258  -0.902  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.173   4.809   0.415  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.227   5.769   0.438  1.00  0.00           N  
HETATM   10  O   UNL     1      -1.636   4.390   1.454  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.929  -0.422  -0.104  1.00  0.00           N  
HETATM   12  N   UNL     1      -3.790  -1.502   0.139  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.038  -2.636   0.235  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.738  -2.317   0.064  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.650  -0.925  -0.157  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.573  -4.022   0.492  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.412  -5.018   0.529  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.307  -4.044   1.834  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.542  -4.410  -0.626  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.538  -0.230  -0.375  1.00  0.00           N  
HETATM   21  C   UNL     1       0.646  -0.853  -0.401  1.00  0.00           C  
HETATM   22  N   UNL     1       1.774  -0.148  -0.621  1.00  0.00           N  
HETATM   23  C   UNL     1       3.019  -0.782  -0.555  1.00  0.00           C  
HETATM   24  O   UNL     1       0.705  -2.057  -0.225  1.00  0.00           O  
HETATM   25  C   UNL     1       3.153  -2.098  -0.976  1.00  0.00           C  
HETATM   26  C   UNL     1       4.384  -2.722  -0.911  1.00  0.00           C  
HETATM   27  C   UNL     1       5.483  -2.038  -0.426  1.00  0.00           C  
HETATM   28  C   UNL     1       5.354  -0.726  -0.004  1.00  0.00           C  
HETATM   29  C   UNL     1       4.126  -0.094  -0.073  1.00  0.00           C  
HETATM   30 CL   UNL     1       3.966   1.554   0.449  1.00  0.00          Cl  
HETATM   31 CL   UNL     1       6.737   0.129   0.606  1.00  0.00          Cl  
HETATM   32  H   UNL     1      -5.395   0.527  -0.014  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.045   2.885  -0.292  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.326   4.598  -0.700  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.292   1.605  -0.555  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.816   3.814  -1.439  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.083   5.063  -1.499  1.00  0.00           H  
HETATM   38  H   UNL     1       0.143   6.105  -0.394  1.00  0.00           H  
HETATM   39  H   UNL     1       0.083   6.125   1.285  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.755  -1.451   0.224  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.908  -3.008   0.087  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.721  -4.741   1.326  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.799  -6.020   0.715  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.889  -5.001  -0.427  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.134  -3.335   1.808  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.694  -5.046   2.020  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.616  -3.768   2.631  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.019  -4.393  -1.582  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.929  -5.411  -0.441  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.369  -3.700  -0.653  1.00  0.00           H  
HETATM   51  H   UNL     1       1.722   0.799  -0.825  1.00  0.00           H  
HETATM   52  H   UNL     1       2.295  -2.634  -1.355  1.00  0.00           H  
HETATM   53  H   UNL     1       4.488  -3.746  -1.238  1.00  0.00           H  
HETATM   54  H   UNL     1       6.444  -2.529  -0.375  1.00  0.00           H  
CONECT    1    2    2    6   11                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3    5   34                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   35                                       
CONECT    7    5    8   36   37                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   38   39                                            
CONECT   10    8    8                                                 
CONECT   11    1   12   15                                            
CONECT   12   11   13   40                                            
CONECT   13   12   14   14   16                                       
CONECT   14   13   13   15   41                                       
CONECT   15   11   14   20   20                                       
CONECT   16   13   17   18   19                                       
CONECT   17   16   42   43   44                                       
CONECT   18   16   45   46   47                                       
CONECT   19   16   48   49   50                                       
CONECT   20   15   15   21                                            
CONECT   21   20   22   24   24                                       
CONECT   22   21   23   51                                            
CONECT   23   22   25   25   29                                       
CONECT   24   21   21                                                 
CONECT   25   23   23   26   52                                       
CONECT   26   25   27   27   53                                       
CONECT   27   26   26   28   54                                       
CONECT   28   27   29   29   31                                       
CONECT   29   23   28   28   30                                       
CONECT   30   29                                                      
CONECT   31   28                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
