COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.082   2.008  -0.119  1.00  0.00           S  
HETATM    2  O   UNL     1      -0.413   2.248   1.191  1.00  0.00           O  
HETATM    3  O   UNL     1       0.136   3.010  -1.125  1.00  0.00           O  
HETATM    4  C   UNL     1       1.727   1.406   0.073  1.00  0.00           C  
HETATM    5  C   UNL     1       2.635   1.535  -0.961  1.00  0.00           C  
HETATM    6  C   UNL     1       3.925   1.062  -0.810  1.00  0.00           C  
HETATM    7  C   UNL     1       4.307   0.462   0.375  1.00  0.00           C  
HETATM    8  C   UNL     1       3.399   0.335   1.410  1.00  0.00           C  
HETATM    9  C   UNL     1       2.110   0.811   1.260  1.00  0.00           C  
HETATM   10  C   UNL     1       5.714  -0.054   0.539  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.824   0.769  -0.741  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.044  -0.445   0.049  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.020  -1.484  -0.330  1.00  0.00           C  
HETATM   14  O   UNL     1       0.628  -1.352  -1.340  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.447  -0.988  -0.230  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.490   0.014   0.269  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.893  -0.529  -0.011  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.936   0.473   0.488  1.00  0.00           C  
HETATM   19  N   UNL     1      -7.284  -0.048   0.220  1.00  0.00           N  
HETATM   20  C   UNL     1       0.196  -2.686   0.553  1.00  0.00           C  
HETATM   21 CL   UNL     1       1.477  -3.735  -0.163  1.00  0.00          Cl  
HETATM   22  H   UNL     1       2.336   2.003  -1.887  1.00  0.00           H  
HETATM   23  H   UNL     1       4.635   1.162  -1.618  1.00  0.00           H  
HETATM   24  H   UNL     1       3.698  -0.135   2.336  1.00  0.00           H  
HETATM   25  H   UNL     1       1.402   0.714   2.070  1.00  0.00           H  
HETATM   26  H   UNL     1       6.345   0.736   0.947  1.00  0.00           H  
HETATM   27  H   UNL     1       5.712  -0.905   1.220  1.00  0.00           H  
HETATM   28  H   UNL     1       6.102  -0.364  -0.431  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.209   0.847  -1.628  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.950  -0.212   1.109  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.572  -1.138  -1.303  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.579  -1.938   0.287  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.366   0.164   1.341  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.358   0.964  -0.249  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.018  -0.679  -1.083  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.025  -1.479   0.507  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.812   0.623   1.560  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.805   1.423  -0.030  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.991   0.596   0.540  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.402  -0.257  -0.760  1.00  0.00           H  
HETATM   41  H   UNL     1       0.508  -2.358   1.544  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.733  -3.250   0.632  1.00  0.00           H  
CONECT    1    2    2    4    3                                       
CONECT    1    3   11                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5    5    9                                       
CONECT    5    4    4    6   22                                       
CONECT    6    5    7    7   23                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   24                                       
CONECT    9    4    8    8   25                                       
CONECT   10    7   26   27   28                                       
CONECT   11   12   29    1                                            
CONECT   12   11   13   15   30                                       
CONECT   13   12   14   14   20                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   31   32                                       
CONECT   16   15   17   33   34                                       
CONECT   17   16   18   35   36                                       
CONECT   18   17   19   37   38                                       
CONECT   19   18   39   40                                            
CONECT   20   13   41   42   21                                       
CONECT   21   20                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
