COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.694   0.495  -0.303  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.529   1.244  -0.211  1.00  0.00           C  
HETATM    3  C   UNL     1       0.680   0.687  -0.574  1.00  0.00           C  
HETATM    4  C   UNL     1       4.245  -3.048  -0.829  1.00  0.00           C  
HETATM    5  C   UNL     1       5.476  -0.997  -0.175  1.00  0.00           C  
HETATM    6  C   UNL     1       5.378  -1.121   1.199  1.00  0.00           C  
HETATM    7  C   UNL     1       6.379  -0.621   2.011  1.00  0.00           C  
HETATM    8  C   UNL     1       7.477   0.004   1.449  1.00  0.00           C  
HETATM    9  C   UNL     1       7.575   0.127   0.076  1.00  0.00           C  
HETATM   10  C   UNL     1       6.576  -0.377  -0.736  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.012   0.314  -0.155  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.319  -0.739   0.694  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.469  -1.479   0.488  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.312  -1.169  -0.565  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.008  -0.119  -1.412  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.860   0.623  -1.209  1.00  0.00           C  
HETATM   17 CL   UNL     1      -5.854  -2.797   1.549  1.00  0.00          Cl  
HETATM   18  O   UNL     1      -2.886   1.047   0.049  1.00  0.00           O  
HETATM   19  S   UNL     1      -0.595   2.907   0.367  1.00  0.00           S  
HETATM   20  O   UNL     1      -1.368   2.887   1.559  1.00  0.00           O  
HETATM   21  O   UNL     1       0.735   3.404   0.311  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.466   3.777  -0.740  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.643  -0.814  -0.758  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.433  -1.373  -1.120  1.00  0.00           C  
HETATM   25  C   UNL     1       0.732  -0.624  -1.030  1.00  0.00           C  
HETATM   26  N   UNL     1       1.959  -1.190  -1.398  1.00  0.00           N  
HETATM   27  C   UNL     1       3.082  -0.860  -0.729  1.00  0.00           C  
HETATM   28  O   UNL     1       3.043  -0.015   0.141  1.00  0.00           O  
HETATM   29  C   UNL     1       4.384  -1.542  -1.059  1.00  0.00           C  
HETATM   30  H   UNL     1       1.587   1.270  -0.503  1.00  0.00           H  
HETATM   31  H   UNL     1       3.456  -3.442  -1.469  1.00  0.00           H  
HETATM   32  H   UNL     1       5.187  -3.541  -1.068  1.00  0.00           H  
HETATM   33  H   UNL     1       3.993  -3.234   0.215  1.00  0.00           H  
HETATM   34  H   UNL     1       4.521  -1.609   1.638  1.00  0.00           H  
HETATM   35  H   UNL     1       6.303  -0.718   3.084  1.00  0.00           H  
HETATM   36  H   UNL     1       8.259   0.395   2.083  1.00  0.00           H  
HETATM   37  H   UNL     1       8.432   0.615  -0.363  1.00  0.00           H  
HETATM   38  H   UNL     1       6.654  -0.284  -1.809  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.661  -0.981   1.515  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.210  -1.747  -0.725  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.668   0.121  -2.233  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.623   1.442  -1.871  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.826   3.339  -1.527  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.617   4.726  -0.602  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.550  -1.397  -0.829  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.394  -2.392  -1.475  1.00  0.00           H  
HETATM   47  H   UNL     1       2.002  -1.819  -2.135  1.00  0.00           H  
HETATM   48  H   UNL     1       4.636  -1.356  -2.103  1.00  0.00           H  
CONECT    1    2   18   23   23                                       
CONECT    2   19    3    3    1                                       
CONECT    3    2    2   25   30                                       
CONECT    4   29   31   32   33                                       
CONECT    5    6   29   10   10                                       
CONECT    6    7    7    5   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   36                                       
CONECT    9    8    8   10   37                                       
CONECT   10    5    5    9   38                                       
CONECT   11   18   16   16   12                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12   14   17                                       
CONECT   14   15   15   13   40                                       
CONECT   15   16   14   14   41                                       
CONECT   16   11   11   15   42                                       
CONECT   17   13                                                      
CONECT   18    1   11                                                 
CONECT   19   20   20   21   21                                       
CONECT   19   22    2                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   43   44                                            
CONECT   23    1    1   24   45                                       
CONECT   24   25   25   23   46                                       
CONECT   25    3   26   24   24                                       
CONECT   26   25   27   47                                            
CONECT   27   26   29   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   27    5    4   48                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
