COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.979   0.806  -0.926  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.003   1.459  -0.216  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.861   0.714   0.605  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.701  -0.637   0.714  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.687  -1.286   0.012  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.830  -0.565  -0.806  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.172   2.909  -0.335  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.960   1.406   1.369  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.147   1.515  -1.728  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.427   3.550  -1.046  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.538  -2.629   0.129  1.00  0.00           O  
HETATM   12 CL   UNL     1      -5.768  -1.553   1.733  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -1.736  -1.273  -1.563  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.488  -1.317  -0.719  1.00  0.00           C  
HETATM   15  C   UNL     1       0.658  -0.852  -1.204  1.00  0.00           C  
HETATM   16  C   UNL     1       0.743  -0.404  -2.640  1.00  0.00           C  
HETATM   17  C   UNL     1       1.845  -0.774  -0.338  1.00  0.00           C  
HETATM   18  C   UNL     1       2.991  -0.308  -0.823  1.00  0.00           C  
HETATM   19  C   UNL     1       4.207  -0.228   0.064  1.00  0.00           C  
HETATM   20  C   UNL     1       5.326  -1.088  -0.526  1.00  0.00           C  
HETATM   21  C   UNL     1       6.534  -1.084   0.414  1.00  0.00           C  
HETATM   22  C   UNL     1       7.092   0.339   0.518  1.00  0.00           C  
HETATM   23  C   UNL     1       5.972   1.265   0.938  1.00  0.00           C  
HETATM   24  C   UNL     1       4.678   1.227   0.155  1.00  0.00           C  
HETATM   25  C   UNL     1       4.825  -2.523  -0.703  1.00  0.00           C  
HETATM   26  O   UNL     1       6.108   2.017   1.874  1.00  0.00           O  
HETATM   27  C   UNL     1       3.618   2.066   0.873  1.00  0.00           C  
HETATM   28  C   UNL     1       3.854  -0.739   1.462  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.959   3.407   0.212  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.864   1.434   0.761  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.160   0.861   2.292  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.652   2.424   1.608  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.355   1.844  -1.281  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.044  -3.139  -0.519  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.054  -2.290  -1.794  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.530  -0.738  -2.490  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.526  -1.726   0.280  1.00  0.00           H  
HETATM   38  H   UNL     1       0.410   0.631  -2.719  1.00  0.00           H  
HETATM   39  H   UNL     1       1.774  -0.481  -2.985  1.00  0.00           H  
HETATM   40  H   UNL     1       0.105  -1.039  -3.257  1.00  0.00           H  
HETATM   41  H   UNL     1       3.052   0.012  -1.852  1.00  0.00           H  
HETATM   42  H   UNL     1       5.620  -0.686  -1.495  1.00  0.00           H  
HETATM   43  H   UNL     1       6.227  -1.428   1.401  1.00  0.00           H  
HETATM   44  H   UNL     1       7.303  -1.748   0.020  1.00  0.00           H  
HETATM   45  H   UNL     1       7.888   0.366   1.263  1.00  0.00           H  
HETATM   46  H   UNL     1       7.482   0.652  -0.451  1.00  0.00           H  
HETATM   47  H   UNL     1       4.845   1.622  -0.847  1.00  0.00           H  
HETATM   48  H   UNL     1       3.969  -2.528  -1.377  1.00  0.00           H  
HETATM   49  H   UNL     1       5.622  -3.137  -1.123  1.00  0.00           H  
HETATM   50  H   UNL     1       4.528  -2.926   0.265  1.00  0.00           H  
HETATM   51  H   UNL     1       3.462   1.672   1.877  1.00  0.00           H  
HETATM   52  H   UNL     1       3.956   3.100   0.936  1.00  0.00           H  
HETATM   53  H   UNL     1       2.683   2.023   0.316  1.00  0.00           H  
HETATM   54  H   UNL     1       3.519  -1.775   1.397  1.00  0.00           H  
HETATM   55  H   UNL     1       4.733  -0.681   2.103  1.00  0.00           H  
HETATM   56  H   UNL     1       3.056  -0.126   1.882  1.00  0.00           H  
HETATM   57  H   UNL     1       1.785  -1.094   0.691  1.00  0.00           H  
CONECT    1    2    2    6    9                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   12                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   13                                       
CONECT    7    2   10   10   29                                       
CONECT    8    3   30   31   32                                       
CONECT    9    1   33                                                 
CONECT   10    7    7                                                 
CONECT   11    5   34                                                 
CONECT   12    4                                                      
CONECT   13    6   14   35   36                                       
CONECT   14   13   15   15   37                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15   38   39   40                                       
CONECT   17   15   18   18   57                                       
CONECT   18   17   17   19   41                                       
CONECT   19   18   20   24   28                                       
CONECT   20   19   21   25   42                                       
CONECT   21   20   22   43   44                                       
CONECT   22   21   23   45   46                                       
CONECT   23   22   24   26   26                                       
CONECT   24   19   23   27   47                                       
CONECT   25   20   48   49   50                                       
CONECT   26   23   23                                                 
CONECT   27   24   51   52   53                                       
CONECT   28   19   54   55   56                                       
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   17                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
