COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.050  -1.470   0.321  1.00  0.00           C  
HETATM    2  C   UNL     1       1.329  -0.927   0.834  1.00  0.00           C  
HETATM    3  C   UNL     1       1.995  -1.572   1.877  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.079  -4.688  -0.750  1.00  0.00           N  
HETATM    5  C   UNL     1       3.187  -1.064   2.353  1.00  0.00           C  
HETATM    6  C   UNL     1       3.725   0.083   1.799  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.306   1.053  -0.199  1.00  0.00           N  
HETATM    8  O   UNL     1       3.600   1.860   0.219  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.049  -0.641   0.173  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.257  -1.154  -0.312  1.00  0.00           C  
HETATM   11  N   UNL     1       4.975   0.512  -1.070  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.366  -2.502  -0.649  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.672  -3.045  -1.169  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.118   3.341  -0.036  1.00  0.00           O  
HETATM   15  S   UNL     1      -4.614   2.053  -0.373  1.00  0.00           S  
HETATM   16  O   UNL     1      -5.099   1.773  -1.679  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.793   1.477   0.881  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.072   2.403   2.066  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.132   2.211   0.980  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.423  -0.263  -0.466  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.490  -0.716  -0.834  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.054  -2.833  -0.025  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.274  -3.344  -0.506  1.00  0.00           C  
HETATM   24  C   UNL     1       0.214  -5.010  -0.443  1.00  0.00           C  
HETATM   25  C   UNL     1       0.857  -3.918   0.007  1.00  0.00           C  
HETATM   26  C   UNL     1       1.874   0.227   0.273  1.00  0.00           C  
HETATM   27  C   UNL     1       3.068   0.732   0.761  1.00  0.00           C  
HETATM   28 CL   UNL     1       5.224   0.715   2.404  1.00  0.00          Cl  
HETATM   29  C   UNL     1       4.537   1.719  -0.752  1.00  0.00           C  
HETATM   30  C   UNL     1       5.885   0.331  -2.007  1.00  0.00           C  
HETATM   31  C   UNL     1       6.416   1.404  -2.695  1.00  0.00           C  
HETATM   32  C   UNL     1       5.983   2.687  -2.391  1.00  0.00           C  
HETATM   33  C   UNL     1       5.027   2.844  -1.403  1.00  0.00           C  
HETATM   34  H   UNL     1       1.577  -2.468   2.311  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.747  -5.302  -1.092  1.00  0.00           H  
HETATM   36  H   UNL     1       3.701  -1.565   3.160  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.455   1.414   0.094  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.973   0.405   0.432  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.749  -2.844  -2.238  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.713  -4.121  -0.998  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.499  -2.563  -0.648  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.792   0.404   1.069  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.254   1.939   3.035  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.547   3.358   2.093  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.305   3.039   0.293  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.012   1.619   1.235  1.00  0.00           H  
HETATM   47  H   UNL     1       0.649  -5.994  -0.536  1.00  0.00           H  
HETATM   48  H   UNL     1       1.888  -3.873   0.324  1.00  0.00           H  
HETATM   49  H   UNL     1       1.365   0.727  -0.537  1.00  0.00           H  
HETATM   50  H   UNL     1       6.219  -0.670  -2.240  1.00  0.00           H  
HETATM   51  H   UNL     1       7.161   1.247  -3.461  1.00  0.00           H  
HETATM   52  H   UNL     1       6.382   3.543  -2.914  1.00  0.00           H  
HETATM   53  H   UNL     1       4.668   3.828  -1.140  1.00  0.00           H  
CONECT    1   22   22    9    2                                       
CONECT    2    1    3    3   26                                       
CONECT    3    2    2    5   34                                       
CONECT    4   24   23   35                                            
CONECT    5    3    6    6   36                                       
CONECT    6    5    5   27   28                                       
CONECT    7   20   15   37                                            
CONECT    8   27   29                                                 
CONECT    9   10   10    1   38                                       
CONECT   10   12   20    9    9                                       
CONECT   11   29   30   30                                            
CONECT   12   13   23   23   10                                       
CONECT   13   12   39   40   41                                       
CONECT   14   15   15                                                 
CONECT   15    7   14   14   16                                       
CONECT   15   16   17                                                 
CONECT   16   15   15                                                 
CONECT   17   15   19   18   42                                       
CONECT   18   17   19   43   44                                       
CONECT   19   17   18   45   46                                       
CONECT   20   10   21   21    7                                       
CONECT   21   20   20                                                 
CONECT   22   25   23    1    1                                       
CONECT   23    4   12   12   22                                       
CONECT   24    4   25   25   47                                       
CONECT   25   24   24   22   48                                       
CONECT   26    2   27   27   49                                       
CONECT   27   26   26    6    8                                       
CONECT   28    6                                                      
CONECT   29    8   33   33   11                                       
CONECT   30   11   11   31   50                                       
CONECT   31   32   32   30   51                                       
CONECT   32   33   31   31   52                                       
CONECT   33   29   29   32   53                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
