COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.467  -0.066  -0.894  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.648   1.597  -0.716  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.518   2.738  -1.024  1.00  0.00           C  
HETATM    4  C   UNL     1       2.614   1.761   0.664  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.234   1.664   1.189  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.794   2.816  -0.956  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.623  -1.991   0.940  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.405  -3.160  -0.158  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.726   0.405  -0.814  1.00  0.00           O  
HETATM   10  C   UNL     1       4.514  -1.981  -2.088  1.00  0.00           C  
HETATM   11  N   UNL     1       5.385  -3.048  -2.002  1.00  0.00           N  
HETATM   12  C   UNL     1       3.391   0.620   0.329  1.00  0.00           C  
HETATM   13  C   UNL     1       4.287  -1.119  -0.915  1.00  0.00           C  
HETATM   14  C   UNL     1       0.384   2.326   0.141  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.249  -0.774  -0.333  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.106   1.599  -0.334  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.891  -1.963  -0.647  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.271  -3.174   0.635  1.00  0.00           C  
HETATM   19  S   UNL     1       5.058  -1.335   0.646  1.00  0.00           S  
HETATM   20  C   UNL     1      -3.110  -0.791   0.457  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.520   3.928  -0.017  1.00  0.00           C  
HETATM   22  C   UNL     1       2.224   3.709  -0.609  1.00  0.00           C  
HETATM   23  C   UNL     1       2.676   2.295   1.932  1.00  0.00           C  
HETATM   24  C   UNL     1       3.497   1.725   2.895  1.00  0.00           C  
HETATM   25  C   UNL     1       4.259   0.622   2.591  1.00  0.00           C  
HETATM   26  C   UNL     1       4.213   0.058   1.312  1.00  0.00           C  
HETATM   27  N   UNL     1       3.890  -1.736  -3.208  1.00  0.00           N  
HETATM   28  N   UNL     1       1.786   2.343  -0.295  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.917   2.721  -0.590  1.00  0.00           N  
HETATM   30  O   UNL     1      -2.134   0.583  -1.138  1.00  0.00           O  
HETATM   31 CL   UNL     1      -2.661  -4.680   1.247  1.00  0.00          Cl  
HETATM   32  H   UNL     1       2.896   0.236  -1.760  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.251   3.743  -1.352  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.386   2.039  -1.850  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.838   2.615   1.547  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.284   1.579   1.470  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.671   0.845   1.636  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.524   2.888  -2.009  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.875   2.708  -0.865  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.474   3.719  -0.436  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.738  -2.004   1.559  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.910  -4.085  -0.395  1.00  0.00           H  
HETATM   43  H   UNL     1       5.849  -3.230  -1.170  1.00  0.00           H  
HETATM   44  H   UNL     1       5.535  -3.615  -2.774  1.00  0.00           H  
HETATM   45  H   UNL     1       0.252   3.025   0.967  1.00  0.00           H  
HETATM   46  H   UNL     1       0.117   1.321   0.469  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.771  -1.953  -1.274  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.603   0.132   0.696  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.998   4.505  -0.808  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.265   3.643   0.726  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.746   4.531   0.457  1.00  0.00           H  
HETATM   52  H   UNL     1       3.243   3.685  -0.995  1.00  0.00           H  
HETATM   53  H   UNL     1       1.561   4.140  -1.359  1.00  0.00           H  
HETATM   54  H   UNL     1       2.193   4.317   0.296  1.00  0.00           H  
HETATM   55  H   UNL     1       2.082   3.162   2.179  1.00  0.00           H  
HETATM   56  H   UNL     1       3.538   2.151   3.887  1.00  0.00           H  
HETATM   57  H   UNL     1       4.896   0.185   3.347  1.00  0.00           H  
HETATM   58  H   UNL     1       3.277  -0.987  -3.269  1.00  0.00           H  
CONECT    1   13   13   12   32                                       
CONECT    2   29   30   30   16                                       
CONECT    3   14   29   33   34                                       
CONECT    4   12   12   23   28                                       
CONECT    5   16   35   36   37                                       
CONECT    6   16   38   39   40                                       
CONECT    7   20   18   18   41                                       
CONECT    8   17   17   18   42                                       
CONECT    9   16   15                                                 
CONECT   10   11   13   27   27                                       
CONECT   11   10   43   44                                            
CONECT   12   26    1    4    4                                       
CONECT   13   19   10    1    1                                       
CONECT   14   28    3   45   46                                       
CONECT   15    9   20   20   17                                       
CONECT   16    2    5    9    6                                       
CONECT   17   15    8    8   47                                       
CONECT   18    7    7    8   31                                       
CONECT   19   26   13                                                 
CONECT   20   15   15    7   48                                       
CONECT   21   29   49   50   51                                       
CONECT   22   28   52   53   54                                       
CONECT   23   24   24    4   55                                       
CONECT   24   25   23   23   56                                       
CONECT   25   26   26   24   57                                       
CONECT   26   19   25   25   12                                       
CONECT   27   10   10   58                                            
CONECT   28    4   22   14                                            
CONECT   29   21    3    2                                            
CONECT   30    2    2                                                 
CONECT   31   18                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
