COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.099   0.539  -0.047  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.197   0.841  -0.844  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.917   1.201   1.159  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.103   1.801  -0.433  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.825   2.159   1.565  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.918   2.459   0.770  1.00  0.00           C  
HETATM    7 CL   UNL     1      -7.057   3.664   1.283  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -5.430   0.016  -2.353  1.00  0.00          Cl  
HETATM    9  N   UNL     1      -3.183  -0.437  -0.457  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.875  -0.298  -0.165  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.874  -1.294  -0.692  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.502   0.629   0.523  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.148  -2.665  -0.115  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.242  -2.895   0.906  1.00  0.00           C  
HETATM   15  C   UNL     1       0.653  -1.682   1.027  1.00  0.00           C  
HETATM   16  N   UNL     1       0.490  -0.937  -0.242  1.00  0.00           N  
HETATM   17  C   UNL     1       1.496  -1.352  -1.229  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.088  -3.626  -0.434  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.122  -4.818   0.266  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.217  -5.048   1.285  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.277  -4.086   1.604  1.00  0.00           C  
HETATM   22  C   UNL     1       4.919  -0.921   0.301  1.00  0.00           C  
HETATM   23  C   UNL     1       5.290   0.320  -0.195  1.00  0.00           C  
HETATM   24  C   UNL     1       3.693  -1.460  -0.036  1.00  0.00           C  
HETATM   25  C   UNL     1       4.425   1.019  -1.025  1.00  0.00           C  
HETATM   26  C   UNL     1       2.833  -0.761  -0.863  1.00  0.00           C  
HETATM   27  C   UNL     1       3.198   0.478  -1.355  1.00  0.00           C  
HETATM   28  C   UNL     1       5.856  -1.683   1.203  1.00  0.00           C  
HETATM   29  O   UNL     1       6.498   0.851   0.131  1.00  0.00           O  
HETATM   30  C   UNL     1       6.813   2.133  -0.416  1.00  0.00           C  
HETATM   31  C   UNL     1       8.181   2.557   0.052  1.00  0.00           C  
HETATM   32  O   UNL     1       8.689   3.736  -0.340  1.00  0.00           O  
HETATM   33  O   UNL     1       8.821   1.835   0.780  1.00  0.00           O  
HETATM   34  H   UNL     1      -3.065   0.967   1.780  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.956   2.037  -1.052  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.683   2.675   2.503  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.489  -1.213  -0.952  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.915  -1.328  -1.781  1.00  0.00           H  
HETATM   39  H   UNL     1       0.339  -1.065   1.869  1.00  0.00           H  
HETATM   40  H   UNL     1       1.691  -1.990   1.152  1.00  0.00           H  
HETATM   41  H   UNL     1       1.569  -2.439  -1.238  1.00  0.00           H  
HETATM   42  H   UNL     1       1.201  -1.000  -2.218  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.795  -3.447  -1.230  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.858  -5.569   0.018  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.245  -5.979   1.832  1.00  0.00           H  
HETATM   46  H   UNL     1       0.431  -4.266   2.400  1.00  0.00           H  
HETATM   47  H   UNL     1       3.405  -2.428   0.347  1.00  0.00           H  
HETATM   48  H   UNL     1       4.712   1.986  -1.412  1.00  0.00           H  
HETATM   49  H   UNL     1       2.524   1.022  -2.000  1.00  0.00           H  
HETATM   50  H   UNL     1       5.661  -1.413   2.241  1.00  0.00           H  
HETATM   51  H   UNL     1       5.697  -2.753   1.070  1.00  0.00           H  
HETATM   52  H   UNL     1       6.886  -1.434   0.950  1.00  0.00           H  
HETATM   53  H   UNL     1       6.802   2.076  -1.505  1.00  0.00           H  
HETATM   54  H   UNL     1       6.073   2.862  -0.084  1.00  0.00           H  
HETATM   55  H   UNL     1       9.570   3.964  -0.014  1.00  0.00           H  
CONECT    1    9    3    3    2                                       
CONECT    2    1    8    4    4                                       
CONECT    3    1    1    5   34                                       
CONECT    4    2    2    6   35                                       
CONECT    5    3    6    6   36                                       
CONECT    6    4    5    5    7                                       
CONECT    7    6                                                      
CONECT    8    2                                                      
CONECT    9    1   10   37                                            
CONECT   10    9   11   12   12                                       
CONECT   11   10   13   16   38                                       
CONECT   12   10   10                                                 
CONECT   13   11   18   18   14                                       
CONECT   14   13   21   21   15                                       
CONECT   15   14   16   39   40                                       
CONECT   16   11   15   17                                            
CONECT   17   16   26   41   42                                       
CONECT   18   13   13   19   43                                       
CONECT   19   18   20   20   44                                       
CONECT   20   19   19   21   45                                       
CONECT   21   14   14   20   46                                       
CONECT   22   24   24   23   28                                       
CONECT   23   22   25   25   29                                       
CONECT   24   22   22   26   47                                       
CONECT   25   23   23   27   48                                       
CONECT   26   17   24   27   27                                       
CONECT   27   25   26   26   49                                       
CONECT   28   22   50   51   52                                       
CONECT   29   23   30                                                 
CONECT   30   29   31   53   54                                       
CONECT   31   30   33   33   32                                       
CONECT   32   31   55                                                 
CONECT   33   31   31                                                 
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
