COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.513  -0.631  -0.149  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.861   1.556   0.832  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.091   0.688   0.036  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.078   2.702   0.082  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.944   1.469  -0.431  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.687  -1.029   0.462  1.00  0.00           C  
HETATM    7  C   UNL     1       2.328   1.610   0.441  1.00  0.00           C  
HETATM    8  C   UNL     1       2.138   0.092   0.421  1.00  0.00           C  
HETATM    9  C   UNL     1       3.477  -0.589   0.123  1.00  0.00           C  
HETATM   10  C   UNL     1       4.435  -0.336   1.259  1.00  0.00           C  
HETATM   11  C   UNL     1       3.256  -2.095  -0.032  1.00  0.00           C  
HETATM   12  C   UNL     1       2.310  -2.355  -1.207  1.00  0.00           C  
HETATM   13  C   UNL     1       0.957  -1.694  -0.924  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.399  -0.117   1.229  1.00  0.00           C  
HETATM   15  N   UNL     1       1.178  -0.271  -0.630  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.216   2.770   0.841  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.982   1.121   1.390  1.00  0.00           N  
HETATM   18  O   UNL     1       4.083   0.322   2.210  1.00  0.00           O  
HETATM   19  O   UNL     1       5.678  -0.840   1.215  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.256   0.249  -2.570  1.00  0.00           O  
HETATM   21  O   UNL     1       1.262   1.990  -1.615  1.00  0.00           O  
HETATM   22  S   UNL     1       0.362   0.900  -1.468  1.00  0.00           S  
HETATM   23 CL   UNL     1      -4.267  -2.654   0.272  1.00  0.00          Cl  
HETATM   24  H   UNL     1      -1.941  -1.318  -0.755  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.390   3.519  -0.078  1.00  0.00           H  
HETATM   26  H   UNL     1       1.354   2.097   0.489  1.00  0.00           H  
HETATM   27  H   UNL     1       2.918   1.891   1.313  1.00  0.00           H  
HETATM   28  H   UNL     1       2.846   1.923  -0.466  1.00  0.00           H  
HETATM   29  H   UNL     1       1.764  -0.242   1.389  1.00  0.00           H  
HETATM   30  H   UNL     1       3.893  -0.185  -0.800  1.00  0.00           H  
HETATM   31  H   UNL     1       4.211  -2.585  -0.221  1.00  0.00           H  
HETATM   32  H   UNL     1       2.817  -2.494   0.882  1.00  0.00           H  
HETATM   33  H   UNL     1       2.737  -1.934  -2.118  1.00  0.00           H  
HETATM   34  H   UNL     1       2.171  -3.429  -1.332  1.00  0.00           H  
HETATM   35  H   UNL     1       0.313  -1.790  -1.798  1.00  0.00           H  
HETATM   36  H   UNL     1       0.487  -2.177  -0.068  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.316  -0.431   1.705  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.527   3.562   1.307  1.00  0.00           H  
HETATM   39  H   UNL     1       6.256  -0.651   1.967  1.00  0.00           H  
CONECT    1    3    6    6   24                                       
CONECT    2   16    3    3   17                                       
CONECT    3    2    2    1    5                                       
CONECT    4    5    5   16   25                                       
CONECT    5    4    4   22    3                                       
CONECT    6    1    1   23   14                                       
CONECT    7    8   26   27   28                                       
CONECT    8    7    9   15   29                                       
CONECT    9    8   10   11   30                                       
CONECT   10   18   18   19    9                                       
CONECT   11    9   12   31   32                                       
CONECT   12   11   13   33   34                                       
CONECT   13   12   15   35   36                                       
CONECT   14    6   17   17   37                                       
CONECT   15   13   22    8                                            
CONECT   16    4    2   38                                            
CONECT   17   14   14    2                                            
CONECT   18   10   10                                                 
CONECT   19   10   39                                                 
CONECT   20   22   22                                                 
CONECT   21   22   22                                                 
CONECT   22   15   20   20    5                                       
CONECT   22   21   21                                                 
CONECT   23    6                                                      
CONECT   24    1                                                      
CONECT   25    4                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
