COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -2.533   6.435   5.857  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -1.341   6.282   4.622  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.482   7.347   4.356  1.00  0.00           C  
HETATM    4  C   UNL     1       0.494   7.254   3.360  1.00  0.00           C  
HETATM    5  C   UNL     1       0.575   6.054   2.644  1.00  0.00           C  
HETATM    6  N   UNL     1       1.423   5.683   1.625  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.249   5.089   3.897  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.272   4.971   2.888  1.00  0.00           C  
HETATM    9  C   UNL     1       0.097   3.939   1.981  1.00  0.00           C  
HETATM   10  C   UNL     1       1.114   4.434   1.259  1.00  0.00           C  
HETATM   11  C   UNL     1       1.849   3.733   0.174  1.00  0.00           C  
HETATM   12  O   UNL     1       2.777   4.307  -0.389  1.00  0.00           O  
HETATM   13  N   UNL     1       1.427   2.444  -0.103  1.00  0.00           N  
HETATM   14  C   UNL     1       2.077   1.600  -1.145  1.00  0.00           C  
HETATM   15  C   UNL     1       1.020   0.688  -1.776  1.00  0.00           C  
HETATM   16  C   UNL     1       0.562  -0.428  -0.839  1.00  0.00           C  
HETATM   17  C   UNL     1       1.741  -1.233  -0.304  1.00  0.00           C  
HETATM   18  C   UNL     1       2.774  -0.338   0.378  1.00  0.00           C  
HETATM   19  C   UNL     1       3.237   0.825  -0.505  1.00  0.00           C  
HETATM   20  N   UNL     1       4.131   0.308  -1.578  1.00  0.00           N  
HETATM   21  C   UNL     1       5.184   1.050  -2.083  1.00  0.00           C  
HETATM   22  O   UNL     1       5.490   2.181  -1.716  1.00  0.00           O  
HETATM   23  C   UNL     1       5.945   0.421  -3.139  1.00  0.00           C  
HETATM   24  S   UNL     1       7.280   1.243  -3.851  1.00  0.00           S  
HETATM   25  C   UNL     1       7.519  -0.098  -4.866  1.00  0.00           C  
HETATM   26  C   UNL     1       8.605  -0.223  -5.882  1.00  0.00           C  
HETATM   27  N   UNL     1       8.350  -1.323  -6.844  1.00  0.00           N  
HETATM   28  C   UNL     1       7.466  -0.904  -7.931  1.00  0.00           C  
HETATM   29  C   UNL     1       7.854  -2.542  -6.164  1.00  0.00           C  
HETATM   30  C   UNL     1       6.547  -2.353  -5.358  1.00  0.00           C  
HETATM   31  C   UNL     1       6.584  -1.076  -4.596  1.00  0.00           C  
HETATM   32  N   UNL     1       5.673  -0.779  -3.607  1.00  0.00           N  
HETATM   33  H   UNL     1      -0.560   8.272   4.923  1.00  0.00           H  
HETATM   34  H   UNL     1       1.163   8.083   3.154  1.00  0.00           H  
HETATM   35  H   UNL     1       2.147   6.271   1.235  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.918   4.258   4.103  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.356   2.960   1.899  1.00  0.00           H  
HETATM   38  H   UNL     1       0.694   2.011   0.447  1.00  0.00           H  
HETATM   39  H   UNL     1       2.450   2.305  -1.897  1.00  0.00           H  
HETATM   40  H   UNL     1       1.435   0.235  -2.685  1.00  0.00           H  
HETATM   41  H   UNL     1       0.149   1.277  -2.089  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.125  -1.094  -1.372  1.00  0.00           H  
HETATM   43  H   UNL     1       0.001   0.001   0.000  1.00  0.00           H  
HETATM   44  H   UNL     1       1.380  -1.985   0.407  1.00  0.00           H  
HETATM   45  H   UNL     1       2.214  -1.779  -1.129  1.00  0.00           H  
HETATM   46  H   UNL     1       2.332   0.067   1.297  1.00  0.00           H  
HETATM   47  H   UNL     1       3.633  -0.947   0.685  1.00  0.00           H  
HETATM   48  H   UNL     1       3.867   1.500   0.087  1.00  0.00           H  
HETATM   49  H   UNL     1       3.897  -0.595  -1.973  1.00  0.00           H  
HETATM   50  H   UNL     1       8.758   0.721  -6.421  1.00  0.00           H  
HETATM   51  H   UNL     1       9.547  -0.440  -5.362  1.00  0.00           H  
HETATM   52  H   UNL     1       7.913  -0.070  -8.478  1.00  0.00           H  
HETATM   53  H   UNL     1       6.500  -0.585  -7.531  1.00  0.00           H  
HETATM   54  H   UNL     1       7.302  -1.733  -8.625  1.00  0.00           H  
HETATM   55  H   UNL     1       8.643  -2.892  -5.484  1.00  0.00           H  
HETATM   56  H   UNL     1       7.719  -3.348  -6.897  1.00  0.00           H  
HETATM   57  H   UNL     1       6.408  -3.199  -4.676  1.00  0.00           H  
HETATM   58  H   UNL     1       5.691  -2.331  -6.042  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    7    7    3                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3    5   34                                       
CONECT    5    4    8    8    6                                       
CONECT    6    5   10   35                                            
CONECT    7    2    2    8   36                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   10   10   37                                       
CONECT   10    6    9    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   38                                            
CONECT   14   13   19   15   39                                       
CONECT   15   14   16   40   41                                       
CONECT   16   15   17   42   43                                       
CONECT   17   16   18   44   45                                       
CONECT   18   17   19   46   47                                       
CONECT   19   14   18   20   48                                       
CONECT   20   19   21   49                                            
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   21   32   32   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   31   31                                       
CONECT   26   25   27   50   51                                       
CONECT   27   26   28   29                                            
CONECT   28   27   52   53   54                                       
CONECT   29   27   30   55   56                                       
CONECT   30   29   31   57   58                                       
CONECT   31   25   25   30   32                                       
CONECT   32   23   23   31                                            
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
