COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.691   1.788   0.911  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.035  -2.300  -0.917  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.490  -1.449   0.166  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.525   0.728  -1.590  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.682  -0.333  -0.871  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.921  -1.681  -1.582  1.00  0.00           C  
HETATM    7  C   UNL     1       5.761  -1.457   0.317  1.00  0.00           C  
HETATM    8  C   UNL     1       4.446  -1.875   0.318  1.00  0.00           C  
HETATM    9  C   UNL     1       6.066  -0.123   0.117  1.00  0.00           C  
HETATM   10  C   UNL     1       3.736   0.397  -0.084  1.00  0.00           C  
HETATM   11  C   UNL     1       3.422  -0.948   0.117  1.00  0.00           C  
HETATM   12  C   UNL     1       5.056   0.801  -0.088  1.00  0.00           C  
HETATM   13  C   UNL     1       2.011  -1.389   0.116  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.903  -0.974   1.359  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.309  -1.520   1.325  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.224   0.064  -0.870  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.374  -0.929  -0.080  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.238  -0.600   0.530  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.611   0.563   1.279  1.00  0.00           N  
HETATM   20  N   UNL     1      -4.067   2.733   1.837  1.00  0.00           N  
HETATM   21  N   UNL     1       1.024  -0.492  -0.079  1.00  0.00           N  
HETATM   22  O   UNL     1       1.740  -2.561   0.291  1.00  0.00           O  
HETATM   23  S   UNL     1      -3.332   2.310  -0.731  1.00  0.00           S  
HETATM   24 CL   UNL     1       5.449   2.474  -0.338  1.00  0.00          Cl  
HETATM   25  H   UNL     1      -5.298  -0.800  -0.172  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.812  -2.051   1.015  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.184   0.828  -2.621  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.574   0.432  -1.579  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.036  -2.311  -1.495  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.159  -1.512  -2.633  1.00  0.00           H  
HETATM   31  H   UNL     1       6.553  -2.173   0.477  1.00  0.00           H  
HETATM   32  H   UNL     1       4.209  -2.917   0.474  1.00  0.00           H  
HETATM   33  H   UNL     1       7.097   0.199   0.122  1.00  0.00           H  
HETATM   34  H   UNL     1       2.948   1.118  -0.245  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.909   0.026   1.793  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.269  -1.629   1.957  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.299  -2.506   0.859  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.683  -1.610   2.344  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.865   0.102  -1.899  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.125   1.053  -0.422  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.450  -1.919  -0.530  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.129   3.666   1.580  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.269   2.466   2.748  1.00  0.00           H  
HETATM   44  H   UNL     1       1.240   0.443  -0.218  1.00  0.00           H  
CONECT    1   19   19   23   20                                       
CONECT    2    6    3                                                 
CONECT    3    2   18   25   26                                       
CONECT    4    5   23   27   28                                       
CONECT    5    6   16   18    4                                       
CONECT    6    2    5   29   30                                       
CONECT    7    8    8    9   31                                       
CONECT    8    7    7   11   32                                       
CONECT    9    7   12   12   33                                       
CONECT   10   11   11   12   34                                       
CONECT   11   13    8   10   10                                       
CONECT   12    9    9   10   24                                       
CONECT   13   22   22   11   21                                       
CONECT   14   15   17   35   36                                       
CONECT   15   14   18   37   38                                       
CONECT   16   17    5   39   40                                       
CONECT   17   14   21   16   41                                       
CONECT   18   15    3    5   19                                       
CONECT   19   18    1    1                                            
CONECT   20    1   42   43                                            
CONECT   21   13   17   44                                            
CONECT   22   13   13                                                 
CONECT   23    4    1                                                 
CONECT   24   12                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
