COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.553   0.944   0.803  1.00  0.00           C  
HETATM    2  C   UNL     1       6.000   2.248   0.842  1.00  0.00           C  
HETATM    3  C   UNL     1       5.390   3.216   0.061  1.00  0.00           C  
HETATM    4 CL   UNL     1       5.959   4.856   0.116  1.00  0.00          Cl  
HETATM    5  C   UNL     1       4.329   2.881  -0.763  1.00  0.00           C  
HETATM    6  C   UNL     1       3.873   1.581  -0.811  1.00  0.00           C  
HETATM    7  C   UNL     1       4.487   0.600  -0.031  1.00  0.00           C  
HETATM    8  C   UNL     1       4.003  -0.797  -0.078  1.00  0.00           C  
HETATM    9  N   UNL     1       2.695  -1.058  -0.021  1.00  0.00           N  
HETATM   10  C   UNL     1       4.917  -1.861  -0.188  1.00  0.00           C  
HETATM   11  C   UNL     1       6.326  -1.614  -0.257  1.00  0.00           C  
HETATM   12  N   UNL     1       7.444  -1.418  -0.312  1.00  0.00           N  
HETATM   13  C   UNL     1       4.408  -3.185  -0.230  1.00  0.00           C  
HETATM   14  O   UNL     1       5.161  -4.139  -0.325  1.00  0.00           O  
HETATM   15  N   UNL     1       3.072  -3.366  -0.161  1.00  0.00           N  
HETATM   16  C   UNL     1       2.238  -2.294  -0.061  1.00  0.00           C  
HETATM   17  S   UNL     1       0.499  -2.566   0.019  1.00  0.00           S  
HETATM   18  C   UNL     1       0.401  -0.245   1.456  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.082  -0.857   0.139  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.589  -0.834   0.098  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.234   0.270  -0.327  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.680  -0.208   0.862  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.303  -0.274   0.795  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.630   0.335  -0.257  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.220  -1.809   0.447  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.346   1.010  -1.237  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.724   1.072  -1.163  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.391   0.464  -0.116  1.00  0.00           C  
HETATM   29  S   UNL     1      -8.149   0.541  -0.030  1.00  0.00           S  
HETATM   30  O   UNL     1      -8.606   0.769  -1.356  1.00  0.00           O  
HETATM   31  O   UNL     1      -8.561  -0.571   0.754  1.00  0.00           O  
HETATM   32  N   UNL     1      -8.539   1.895   0.839  1.00  0.00           N  
HETATM   33  H   UNL     1       6.029   0.190   1.412  1.00  0.00           H  
HETATM   34  H   UNL     1       6.827   2.515   1.483  1.00  0.00           H  
HETATM   35  H   UNL     1       3.857   3.640  -1.370  1.00  0.00           H  
HETATM   36  H   UNL     1       3.045   1.321  -1.454  1.00  0.00           H  
HETATM   37  H   UNL     1       2.704  -4.263  -0.188  1.00  0.00           H  
HETATM   38  H   UNL     1       0.051   0.784   1.529  1.00  0.00           H  
HETATM   39  H   UNL     1       0.005  -0.823   2.292  1.00  0.00           H  
HETATM   40  H   UNL     1       1.490  -0.262   1.487  1.00  0.00           H  
HETATM   41  H   UNL     1       0.313  -0.279  -0.696  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.731   1.020  -0.683  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.204  -0.686   1.677  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.749  -0.799   1.559  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.826   1.485  -2.055  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.281   1.597  -1.925  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.837   2.467   1.188  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.469   2.117   1.000  1.00  0.00           H  
CONECT    1    2    2    7   33                                       
CONECT    2    3    1    1   34                                       
CONECT    3    4    5    5    2                                       
CONECT    4    3                                                      
CONECT    5    3    3    6   35                                       
CONECT    6    5    7    7   36                                       
CONECT    7    6    6    1    8                                       
CONECT    8    7   10   10    9                                       
CONECT    9    8   16   16                                            
CONECT   10   11    8    8   13                                       
CONECT   11   12   12   12   10                                       
CONECT   12   11   11   11                                            
CONECT   13   10   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   37                                            
CONECT   16    9    9   15   17                                       
CONECT   17   19   16                                                 
CONECT   18   19   38   39   40                                       
CONECT   19   18   20   17   41                                       
CONECT   20   19   25   25   21                                       
CONECT   21   20   24   42                                            
CONECT   22   23   28   28   43                                       
CONECT   23   24   24   22   44                                       
CONECT   24   21   23   23   26                                       
CONECT   25   20   20                                                 
CONECT   26   24   27   27   45                                       
CONECT   27   26   26   28   46                                       
CONECT   28   22   22   27   29                                       
CONECT   29   28   32   31   31                                       
CONECT   29   30   30                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   29   47   48                                            
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   32                                                      
CONECT   48   32                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
