COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.112  -1.637  -0.166  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.136  -2.087  -0.937  1.00  0.00           C  
HETATM    3  C   UNL     1       2.480  -2.073   1.584  1.00  0.00           C  
HETATM    4  C   UNL     1       3.237   1.156   0.455  1.00  0.00           C  
HETATM    5  C   UNL     1       1.630   2.925   0.297  1.00  0.00           C  
HETATM    6  C   UNL     1       0.897   2.183  -0.613  1.00  0.00           C  
HETATM    7  C   UNL     1       1.324   0.923  -0.983  1.00  0.00           C  
HETATM    8  C   UNL     1       0.525   0.117  -1.974  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.627  -0.469  -0.778  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.580   0.611  -0.227  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.393  -1.600   0.412  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.263  -2.664   1.621  1.00  0.00           C  
HETATM   13  C   UNL     1       2.500   0.407  -0.454  1.00  0.00           C  
HETATM   14  C   UNL     1       2.799   2.411   0.830  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.379  -0.783  -1.255  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.387   0.621  -0.785  1.00  0.00           N  
HETATM   17  N   UNL     1      -4.080  -0.464   0.358  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.926  -2.721   1.024  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.154  -2.585  -0.298  1.00  0.00           N  
HETATM   20  N   UNL     1       2.942  -0.863  -0.836  1.00  0.00           N  
HETATM   21  O   UNL     1       4.795  -1.060   0.728  1.00  0.00           O  
HETATM   22  O   UNL     1       3.916  -3.057  -0.438  1.00  0.00           O  
HETATM   23  S   UNL     1       3.702  -1.840   0.264  1.00  0.00           S  
HETATM   24 CL   UNL     1       1.083   4.503   0.770  1.00  0.00          Cl  
HETATM   25 CL   UNL     1      -4.532   2.063  -0.262  1.00  0.00          Cl  
HETATM   26  H   UNL     1       0.768  -2.625  -1.179  1.00  0.00           H  
HETATM   27  H   UNL     1       1.586  -2.541   1.173  1.00  0.00           H  
HETATM   28  H   UNL     1       2.901  -2.712   2.360  1.00  0.00           H  
HETATM   29  H   UNL     1       2.219  -1.105   2.012  1.00  0.00           H  
HETATM   30  H   UNL     1       4.150   0.755   0.871  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.015   2.587  -1.028  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.056   0.789  -2.605  1.00  0.00           H  
HETATM   33  H   UNL     1       1.203  -0.469  -2.596  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.279  -1.905   2.403  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.993  -2.410   0.853  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.510  -3.634   2.051  1.00  0.00           H  
HETATM   37  H   UNL     1       3.369   2.991   1.540  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.415  -3.545   1.057  1.00  0.00           H  
HETATM   39  H   UNL     1       2.802  -1.172  -1.744  1.00  0.00           H  
CONECT    1    9    9   11   19                                       
CONECT    2   15   19   19   26                                       
CONECT    3   23   27   28   29                                       
CONECT    4   13   13   14   30                                       
CONECT    5   24   14   14    6                                       
CONECT    6    5    7    7   31                                       
CONECT    7    6    6    8   13                                       
CONECT    8    7   15   32   33                                       
CONECT    9   15    1    1   16                                       
CONECT   10   16   16   25   17                                       
CONECT   11   17   17   18    1                                       
CONECT   12   18   34   35   36                                       
CONECT   13    7   20    4    4                                       
CONECT   14    5    5    4   37                                       
CONECT   15    8    2    9                                            
CONECT   16    9   10   10                                            
CONECT   17   10   11   11                                            
CONECT   18   11   12   38                                            
CONECT   19    1    2    2                                            
CONECT   20   13   23   39                                            
CONECT   21   23   23                                                 
CONECT   22   23   23                                                 
CONECT   23   20   21   21    3                                       
CONECT   23   22   22                                                 
CONECT   24    5                                                      
CONECT   25   10                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
