COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.816   0.465   1.592  1.00  0.00           C  
HETATM    2  C   UNL     1       5.505   1.664   1.615  1.00  0.00           C  
HETATM    3  C   UNL     1       6.357   1.992   0.577  1.00  0.00           C  
HETATM    4  C   UNL     1       6.521   1.119  -0.486  1.00  0.00           C  
HETATM    5  C   UNL     1       5.831  -0.079  -0.508  1.00  0.00           C  
HETATM    6  C   UNL     1       4.979  -0.406   0.531  1.00  0.00           C  
HETATM    7  C   UNL     1       4.228  -1.712   0.507  1.00  0.00           C  
HETATM    8  C   UNL     1       2.883  -1.514  -0.194  1.00  0.00           C  
HETATM    9  N   UNL     1       2.151  -2.788  -0.218  1.00  0.00           N  
HETATM   10  C   UNL     1       2.841  -3.776  -1.057  1.00  0.00           C  
HETATM   11  C   UNL     1       2.300  -5.174  -0.749  1.00  0.00           C  
HETATM   12  C   UNL     1       0.766  -2.591  -0.666  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.056  -1.978   0.470  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.482  -1.714  -0.018  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.216  -1.035   1.003  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.511  -0.724   0.729  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.063  -1.070  -0.495  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.378  -0.754  -0.774  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.148  -0.090   0.171  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.595   0.257   1.397  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.281  -0.065   1.676  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.481   0.231  -0.111  1.00  0.00           N  
HETATM   23  S   UNL     1      -7.902   1.796  -0.449  1.00  0.00           S  
HETATM   24  C   UNL     1      -6.995   2.191  -1.970  1.00  0.00           C  
HETATM   25  O   UNL     1      -9.299   1.737  -0.702  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.387   2.542   0.646  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.090  -2.882   1.575  1.00  0.00           O  
HETATM   28 CL   UNL     1       7.590   1.530  -1.791  1.00  0.00          Cl  
HETATM   29 CL   UNL     1       7.221   3.497   0.605  1.00  0.00          Cl  
HETATM   30  H   UNL     1       4.154   0.207   2.405  1.00  0.00           H  
HETATM   31  H   UNL     1       5.376   2.344   2.444  1.00  0.00           H  
HETATM   32  H   UNL     1       5.958  -0.761  -1.336  1.00  0.00           H  
HETATM   33  H   UNL     1       4.813  -2.457  -0.032  1.00  0.00           H  
HETATM   34  H   UNL     1       4.059  -2.053   1.528  1.00  0.00           H  
HETATM   35  H   UNL     1       2.298  -0.769   0.345  1.00  0.00           H  
HETATM   36  H   UNL     1       3.052  -1.174  -1.216  1.00  0.00           H  
HETATM   37  H   UNL     1       2.669  -3.544  -2.108  1.00  0.00           H  
HETATM   38  H   UNL     1       3.910  -3.747  -0.849  1.00  0.00           H  
HETATM   39  H   UNL     1       1.257  -5.236  -1.060  1.00  0.00           H  
HETATM   40  H   UNL     1       2.885  -5.918  -1.290  1.00  0.00           H  
HETATM   41  H   UNL     1       2.372  -5.363   0.322  1.00  0.00           H  
HETATM   42  H   UNL     1       0.754  -1.921  -1.526  1.00  0.00           H  
HETATM   43  H   UNL     1       0.335  -3.552  -0.948  1.00  0.00           H  
HETATM   44  H   UNL     1       0.401  -1.039   0.782  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.451  -1.095  -0.915  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.969  -2.662  -0.246  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.464  -1.587  -1.230  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.808  -1.024  -1.728  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.193   0.773   2.133  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.852   0.200   2.632  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.158  -0.464  -0.109  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.932   2.007  -1.817  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.359   1.563  -2.783  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.150   3.240  -2.223  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.415  -3.765   1.352  1.00  0.00           H  
CONECT    1    6    6    2   30                                       
CONECT    2    1    3    3   31                                       
CONECT    3    2    2    4   29                                       
CONECT    4    5    5    3   28                                       
CONECT    5    6    4    4   32                                       
CONECT    6    7    1    1    5                                       
CONECT    7    8    6   33   34                                       
CONECT    8    9    7   35   36                                       
CONECT    9   10   12    8                                            
CONECT   10   11    9   37   38                                       
CONECT   11   10   39   40   41                                       
CONECT   12    9   13   42   43                                       
CONECT   13   12   14   27   44                                       
CONECT   14   13   15   45   46                                       
CONECT   15   14   16                                                 
CONECT   16   17   15   21   21                                       
CONECT   17   18   18   16   47                                       
CONECT   18   17   17   19   48                                       
CONECT   19   18   22   20   20                                       
CONECT   20   19   19   21   49                                       
CONECT   21   16   16   20   50                                       
CONECT   22   23   19   51                                            
CONECT   23   24   26   26   25                                       
CONECT   23   25   22                                                 
CONECT   24   23   52   53   54                                       
CONECT   25   23   23                                                 
CONECT   26   23   23                                                 
CONECT   27   13   55                                                 
CONECT   28    4                                                      
CONECT   29    3                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   27                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
