COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.592   1.370   0.306  1.00  0.00           C  
HETATM    2  C   UNL     1       2.224  -0.976   0.733  1.00  0.00           C  
HETATM    3  C   UNL     1       3.947   1.185   0.487  1.00  0.00           C  
HETATM    4  C   UNL     1       3.581  -1.151   0.906  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.572  -0.278   0.998  1.00  0.00           C  
HETATM    6  C   UNL     1       1.720   0.289   0.431  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.481  -0.632  -0.371  1.00  0.00           C  
HETATM    8  C   UNL     1       0.042  -1.464  -1.375  1.00  0.00           C  
HETATM    9  C   UNL     1       4.442  -0.074   0.787  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.765  -1.008   0.007  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.524   1.075   1.180  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.530  -0.729   1.931  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.730  -2.465  -1.761  1.00  0.00           C  
HETATM   14  C   UNL     1       0.263   0.484   0.244  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.128   2.954  -1.817  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.620   2.007   0.421  1.00  0.00           C  
HETATM   17  C   UNL     1       1.404  -1.229  -1.976  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.974  -2.150   2.166  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.360  -3.481  -2.811  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.948   1.933  -1.071  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.951   0.342   2.548  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.226   1.615   0.636  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.251   3.071  -3.154  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.358   3.671  -1.214  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.407   1.348   2.141  1.00  0.00           O  
HETATM   26  S   UNL     1      -2.248  -2.446  -0.878  1.00  0.00           S  
HETATM   27 CL   UNL     1       6.149  -0.302   1.006  1.00  0.00          Cl  
HETATM   28  H   UNL     1       2.207   2.352   0.072  1.00  0.00           H  
HETATM   29  H   UNL     1       1.552  -1.816   0.830  1.00  0.00           H  
HETATM   30  H   UNL     1       4.623   2.022   0.394  1.00  0.00           H  
HETATM   31  H   UNL     1       3.972  -2.131   1.140  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.769   3.027   0.776  1.00  0.00           H  
HETATM   33  H   UNL     1       2.140  -1.845  -1.461  1.00  0.00           H  
HETATM   34  H   UNL     1       1.385  -1.494  -3.033  1.00  0.00           H  
HETATM   35  H   UNL     1       1.671  -0.177  -1.870  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.341  -2.607   2.926  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.010  -2.155   2.504  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.891  -2.714   1.237  1.00  0.00           H  
HETATM   39  H   UNL     1       0.143  -4.325  -2.340  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.263  -3.830  -3.313  1.00  0.00           H  
HETATM   41  H   UNL     1       0.306  -3.022  -3.541  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.008   2.138  -1.221  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.714   0.936  -1.445  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.724   3.729  -3.634  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.867   2.498  -3.636  1.00  0.00           H  
CONECT    1    3    3    6   28                                       
CONECT    2    4    6    6   29                                       
CONECT    3    9    1    1   30                                       
CONECT    4    9    9    2   31                                       
CONECT    5   11   11   10   12                                       
CONECT    6    2    2    1   14                                       
CONECT    7   14    8   10   10                                       
CONECT    8   17    7   13   13                                       
CONECT    9   27    4    4    3                                       
CONECT   10    7    7    5   26                                       
CONECT   11   16   25    5    5                                       
CONECT   12    5   21   21   18                                       
CONECT   13    8    8   19   26                                       
CONECT   14    6   22   22    7                                       
CONECT   15   23   24   24   20                                       
CONECT   16   22   20   11   32                                       
CONECT   17    8   33   34   35                                       
CONECT   18   12   36   37   38                                       
CONECT   19   13   39   40   41                                       
CONECT   20   15   16   42   43                                       
CONECT   21   25   12   12                                            
CONECT   22   14   14   16                                            
CONECT   23   15   44   45                                            
CONECT   24   15   15                                                 
CONECT   25   11   21                                                 
CONECT   26   10   13                                                 
CONECT   27    9                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
