COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.376   1.059  -0.776  1.00  0.00           C  
HETATM    2  C   UNL     1       2.353   1.381   0.550  1.00  0.00           C  
HETATM    3  C   UNL     1       4.567  -3.206  -0.631  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.636  -1.081   0.716  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.257  -2.309   0.844  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.238   0.767  -2.037  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.379   0.042   0.390  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.451   1.230  -1.187  1.00  0.00           C  
HETATM    9  C   UNL     1       1.567   1.612   1.667  1.00  0.00           C  
HETATM   10  C   UNL     1       0.190   1.568   1.573  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.416   1.292   0.357  1.00  0.00           C  
HETATM   12  C   UNL     1       1.768   1.106  -0.667  1.00  0.00           C  
HETATM   13  S   UNL     1       4.109   1.441   0.686  1.00  0.00           S  
HETATM   14  O   UNL     1       4.603   1.722  -0.617  1.00  0.00           O  
HETATM   15  O   UNL     1       4.397   2.250   1.818  1.00  0.00           O  
HETATM   16  N   UNL     1       4.623  -0.088   1.060  1.00  0.00           N  
HETATM   17  C   UNL     1       4.448  -1.120   0.152  1.00  0.00           C  
HETATM   18  N   UNL     1       4.813  -2.350   0.345  1.00  0.00           N  
HETATM   19  C   UNL     1       3.972  -2.674  -1.698  1.00  0.00           C  
HETATM   20  S   UNL     1       3.729  -0.956  -1.390  1.00  0.00           S  
HETATM   21  N   UNL     1      -0.726   0.536  -3.036  1.00  0.00           N  
HETATM   22  O   UNL     1      -1.769   1.249   0.263  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.622  -2.426   0.642  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.373  -1.314   0.312  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.758  -0.071   0.191  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.561   1.128  -0.159  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.961   2.478  -1.163  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.375   3.170  -0.096  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.542   2.366   0.511  1.00  0.00           C  
HETATM   30 CL   UNL     1      -4.392  -3.973   0.804  1.00  0.00          Cl  
HETATM   31  H   UNL     1       4.831  -4.251  -0.570  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.571  -0.997   0.875  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.676  -3.182   1.102  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.700   0.453  -1.895  1.00  0.00           H  
HETATM   35  H   UNL     1       2.034   1.826   2.617  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.416   1.748   2.449  1.00  0.00           H  
HETATM   37  H   UNL     1       2.385   0.927  -1.536  1.00  0.00           H  
HETATM   38  H   UNL     1       5.048  -0.261   1.915  1.00  0.00           H  
HETATM   39  H   UNL     1       3.689  -3.203  -2.596  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.438  -1.408   0.154  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.620   2.836  -1.779  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.938   2.612   1.373  1.00  0.00           H  
CONECT    1    6   11   11   12                                       
CONECT    2   12   12    9   13                                       
CONECT    3   19   19   18   31                                       
CONECT    4    7    5    5   32                                       
CONECT    5    4    4   23   33                                       
CONECT    6   21   21   21    1                                       
CONECT    7   22   25   25    4                                       
CONECT    8   27   26   26   34                                       
CONECT    9   10   10    2   35                                       
CONECT   10   11    9    9   36                                       
CONECT   11    1    1   10   22                                       
CONECT   12    1    2    2   37                                       
CONECT   13   16   15   15    2                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   17   13   38                                            
CONECT   17   18   18   20   16                                       
CONECT   18    3   17   17                                            
CONECT   19    3    3   20   39                                       
CONECT   20   19   17                                                 
CONECT   21    6    6    6                                            
CONECT   22   11    7                                                 
CONECT   23   24   24    5   30                                       
CONECT   24   25   23   23   40                                       
CONECT   25   26    7    7   24                                       
CONECT   26    8    8   29   25                                       
CONECT   27    8   28   41                                            
CONECT   28   27   29   29                                            
CONECT   29   28   28   26   42                                       
CONECT   30   23                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   24                                                      
CONECT   41   27                                                      
CONECT   42   29                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
