COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.918  -1.770  -0.149  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.066  -2.567   0.971  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.995  -2.784   1.821  1.00  0.00           C  
HETATM    4  C   UNL     1       0.228  -2.205   1.554  1.00  0.00           C  
HETATM    5  C   UNL     1       0.385  -1.400   0.425  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.698  -1.190  -0.431  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.695   1.618   1.462  1.00  0.00           C  
HETATM    8  C   UNL     1       1.694  -0.781   0.130  1.00  0.00           C  
HETATM    9  C   UNL     1       4.001  -0.480   0.630  1.00  0.00           C  
HETATM   10  C   UNL     1       4.113   0.736  -0.031  1.00  0.00           C  
HETATM   11  C   UNL     1       5.361   1.232  -0.354  1.00  0.00           C  
HETATM   12  C   UNL     1       6.498   0.518  -0.020  1.00  0.00           C  
HETATM   13  C   UNL     1       6.389  -0.693   0.639  1.00  0.00           C  
HETATM   14  C   UNL     1       5.144  -1.191   0.970  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.704   1.963   0.429  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.029   3.186   0.483  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.102   3.503  -0.486  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.835   2.615  -1.516  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.493   1.404  -1.584  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.426   1.064  -0.613  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.085  -0.157  -0.675  1.00  0.00           N  
HETATM   22  N   UNL     1       2.738  -0.985   0.958  1.00  0.00           N  
HETATM   23  O   UNL     1      -5.279   0.554   1.412  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.743  -1.155  -2.490  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.171  -2.597  -1.031  1.00  0.00           O  
HETATM   26  O   UNL     1       1.830  -0.087  -0.859  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.954   2.482   2.464  1.00  0.00           O  
HETATM   28  S   UNL     1      -3.288  -1.501  -1.224  1.00  0.00           S  
HETATM   29 CL   UNL     1       8.065   1.141  -0.434  1.00  0.00          Cl  
HETATM   30  H   UNL     1      -3.022  -3.023   1.185  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.118  -3.407   2.694  1.00  0.00           H  
HETATM   32  H   UNL     1       1.063  -2.375   2.218  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.584  -0.567  -1.306  1.00  0.00           H  
HETATM   34  H   UNL     1       3.226   1.293  -0.293  1.00  0.00           H  
HETATM   35  H   UNL     1       5.449   2.178  -0.868  1.00  0.00           H  
HETATM   36  H   UNL     1       7.278  -1.248   0.899  1.00  0.00           H  
HETATM   37  H   UNL     1       5.059  -2.137   1.484  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.234   3.882   1.283  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.582   4.448  -0.444  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.107   2.873  -2.272  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.278   0.718  -2.390  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.012  -0.222  -0.397  1.00  0.00           H  
HETATM   43  H   UNL     1       2.613  -1.482   1.782  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.612   2.211   3.118  1.00  0.00           H  
CONECT    1    6   28    2    2                                       
CONECT    2    1    1    3   30                                       
CONECT    3    4    4    2   31                                       
CONECT    4    5    3    3   32                                       
CONECT    5    8    6    6    4                                       
CONECT    6    5    5    1   33                                       
CONECT    7   23   23   27   15                                       
CONECT    8   22   26   26    5                                       
CONECT    9   14   14   10   22                                       
CONECT   10   11   11    9   34                                       
CONECT   11   12   10   10   35                                       
CONECT   12   29   13   13   11                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13    9    9   37                                       
CONECT   15    7   16   16   20                                       
CONECT   16   15   15   17   38                                       
CONECT   17   16   18   18   39                                       
CONECT   18   17   17   19   40                                       
CONECT   19   20   20   18   41                                       
CONECT   20   15   21   19   19                                       
CONECT   21   20   28   42                                            
CONECT   22    9    8   43                                            
CONECT   23    7    7                                                 
CONECT   24   28   28                                                 
CONECT   25   28   28                                                 
CONECT   26    8    8                                                 
CONECT   27    7   44                                                 
CONECT   28   21   25   25    1                                       
CONECT   28   24   24                                                 
CONECT   29   12                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
