COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.636  -2.660   0.240  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.024  -3.236  -0.961  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.648  -4.538  -1.237  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.543  -4.715   0.777  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.881  -3.419   1.122  1.00  0.00           C  
HETATM    6  O   UNL     1       2.025   0.512  -2.092  1.00  0.00           O  
HETATM    7  C   UNL     1       2.242   0.741  -0.921  1.00  0.00           C  
HETATM    8  N   UNL     1       3.450   0.461  -0.393  1.00  0.00           N  
HETATM    9  C   UNL     1       4.500  -0.119  -1.233  1.00  0.00           C  
HETATM   10  C   UNL     1       5.743  -0.334  -0.407  1.00  0.00           C  
HETATM   11  C   UNL     1       5.933  -1.531   0.257  1.00  0.00           C  
HETATM   12  C   UNL     1       7.073  -1.728   1.014  1.00  0.00           C  
HETATM   13  C   UNL     1       8.022  -0.728   1.107  1.00  0.00           C  
HETATM   14  C   UNL     1       7.831   0.470   0.443  1.00  0.00           C  
HETATM   15  C   UNL     1       6.694   0.664  -0.319  1.00  0.00           C  
HETATM   16  C   UNL     1       1.162   1.339  -0.057  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.016   1.542  -0.840  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.109   2.024  -0.195  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.259   3.389   0.001  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.307   4.251  -0.450  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.496   4.801  -1.755  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.385   3.875   0.658  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.532   5.212   0.848  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.711   5.644   1.530  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.361   2.998   1.120  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.226   1.653   0.934  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.099   1.143   0.275  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.957  -0.301   0.070  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.983  -0.739  -0.505  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.020  -1.242   0.575  1.00  0.00           C  
HETATM   31 CL   UNL     1      -1.367  -2.751   2.639  1.00  0.00          Cl  
HETATM   32  N   UNL     1      -1.931  -5.230  -0.374  1.00  0.00           N  
HETATM   33 CL   UNL     1      -3.971  -2.334  -2.104  1.00  0.00          Cl  
HETATM   34  H   UNL     1      -2.947  -4.994  -2.170  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.956  -5.313   1.458  1.00  0.00           H  
HETATM   36  H   UNL     1       3.624   0.645   0.544  1.00  0.00           H  
HETATM   37  H   UNL     1       4.160  -1.075  -1.632  1.00  0.00           H  
HETATM   38  H   UNL     1       4.724   0.559  -2.056  1.00  0.00           H  
HETATM   39  H   UNL     1       5.191  -2.313   0.184  1.00  0.00           H  
HETATM   40  H   UNL     1       7.221  -2.664   1.533  1.00  0.00           H  
HETATM   41  H   UNL     1       8.912  -0.881   1.699  1.00  0.00           H  
HETATM   42  H   UNL     1       8.573   1.252   0.517  1.00  0.00           H  
HETATM   43  H   UNL     1       6.548   1.598  -0.841  1.00  0.00           H  
HETATM   44  H   UNL     1       0.938   0.660   0.766  1.00  0.00           H  
HETATM   45  H   UNL     1       1.502   2.294   0.342  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.470   5.288  -1.808  1.00  0.00           H  
HETATM   47  H   UNL     1       0.287   5.533  -1.958  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.448   4.003  -2.496  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.738   5.201   2.525  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.704   6.731   1.615  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.591   5.330   0.968  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.232   3.385   1.629  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.989   0.980   1.297  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.972  -1.002   0.102  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.115  -1.137   1.656  1.00  0.00           H  
CONECT    1   30    5    5    2                                       
CONECT    2    1   33    3    3                                       
CONECT    3    2    2   32   34                                       
CONECT    4    5   32   32   35                                       
CONECT    5   31    1    1    4                                       
CONECT    6    7    7                                                 
CONECT    7   16    6    6    8                                       
CONECT    8    7    9   36                                            
CONECT    9    8   10   37   38                                       
CONECT   10    9   15   15   11                                       
CONECT   11   10   12   12   39                                       
CONECT   12   11   11   13   40                                       
CONECT   13   14   14   12   41                                       
CONECT   14   15   13   13   42                                       
CONECT   15   10   10   14   43                                       
CONECT   16   17    7   44   45                                       
CONECT   17   18   16                                                 
CONECT   18   19   19   27   17                                       
CONECT   19   22   20   18   18                                       
CONECT   20   21   19                                                 
CONECT   21   20   46   47   48                                       
CONECT   22   23   25   25   19                                       
CONECT   23   24   22                                                 
CONECT   24   23   49   50   51                                       
CONECT   25   22   22   26   52                                       
CONECT   26   25   27   27   53                                       
CONECT   27   26   26   18   28                                       
CONECT   28   27   30   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28    1   54   55                                       
CONECT   31    5                                                      
CONECT   32    4    4    3                                            
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
