COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.499  -1.824  -0.090  1.00  0.00           C  
HETATM    2  C   UNL     1       0.120  -1.753  -0.073  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.512  -0.521   0.038  1.00  0.00           C  
HETATM    4  C   UNL     1       0.259   0.649   0.134  1.00  0.00           C  
HETATM    5  C   UNL     1       1.654   0.560   0.116  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.398   1.962   0.252  1.00  0.00           C  
HETATM    7  C   UNL     1       2.263  -0.670   0.005  1.00  0.00           C  
HETATM    8  N   UNL     1       4.480  -1.597   1.347  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.315   4.396   0.342  1.00  0.00           C  
HETATM   10  C   UNL     1       0.741   5.502   0.281  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.606   2.029   0.375  1.00  0.00           O  
HETATM   12  N   UNL     1       0.339   3.090   0.224  1.00  0.00           N  
HETATM   13  O   UNL     1       1.357   5.502  -1.009  1.00  0.00           O  
HETATM   14  S   UNL     1       4.022  -0.778  -0.018  1.00  0.00           S  
HETATM   15  O   UNL     1       4.358  -1.612  -1.118  1.00  0.00           O  
HETATM   16  O   UNL     1       4.507   0.549   0.129  1.00  0.00           O  
HETATM   17 CL   UNL     1       2.281  -3.368  -0.222  1.00  0.00          Cl  
HETATM   18  N   UNL     1      -1.898  -0.446   0.054  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.700  -1.652  -0.169  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.164  -1.301  -0.102  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.832  -1.354   1.107  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.175  -1.033   1.169  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.850  -0.659   0.022  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.181  -0.605  -1.187  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.837  -0.922  -1.248  1.00  0.00           C  
HETATM   26  H   UNL     1      -0.468  -2.655  -0.147  1.00  0.00           H  
HETATM   27  H   UNL     1       2.254   1.455   0.190  1.00  0.00           H  
HETATM   28  H   UNL     1       5.060  -1.171   1.997  1.00  0.00           H  
HETATM   29  H   UNL     1       4.167  -2.504   1.496  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.846   4.452   1.292  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.022   4.523  -0.478  1.00  0.00           H  
HETATM   32  H   UNL     1       0.266   6.467   0.457  1.00  0.00           H  
HETATM   33  H   UNL     1       1.497   5.325   1.045  1.00  0.00           H  
HETATM   34  H   UNL     1       1.303   3.037   0.126  1.00  0.00           H  
HETATM   35  H   UNL     1       2.038   6.180  -1.119  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.336   0.405   0.213  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.469  -2.064  -1.151  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.467  -2.389   0.599  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.305  -1.646   2.003  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.698  -1.074   2.113  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.899  -0.408   0.070  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.708  -0.313  -2.083  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.313  -0.877  -2.191  1.00  0.00           H  
CONECT    1   17    2    2    7                                       
CONECT    2    1    1    3   26                                       
CONECT    3    2   18    4    4                                       
CONECT    4    3    3    5    6                                       
CONECT    5    7    7    4   27                                       
CONECT    6    4   12   11   11                                       
CONECT    7    1   14    5    5                                       
CONECT    8   14   28   29                                            
CONECT    9   12   10   30   31                                       
CONECT   10    9   13   32   33                                       
CONECT   11    6    6                                                 
CONECT   12    6    9   34                                            
CONECT   13   10   35                                                 
CONECT   14   15   15   16   16                                       
CONECT   14    7    8                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17    1                                                      
CONECT   18   19    3   36                                            
CONECT   19   20   18   37   38                                       
CONECT   20   21   19   25   25                                       
CONECT   21   22   22   20   39                                       
CONECT   22   21   21   23   40                                       
CONECT   23   22   24   24   41                                       
CONECT   24   23   23   25   42                                       
CONECT   25   20   20   24   43                                       
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
