COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.724   0.828   1.238  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.607  -0.434   0.024  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.104  -2.746   0.420  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.964  -0.169  -0.116  1.00  0.00           C  
HETATM    5  C   UNL     1       0.062   1.951   0.961  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.891   0.764   1.122  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.793   0.364  -1.264  1.00  0.00           C  
HETATM    8  C   UNL     1       0.159   1.551  -1.424  1.00  0.00           C  
HETATM    9  C   UNL     1       1.814   0.558   0.038  1.00  0.00           C  
HETATM   10  C   UNL     1       2.700   0.314  -1.212  1.00  0.00           C  
HETATM   11  C   UNL     1       4.075   0.106   1.118  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.180  -1.728   0.293  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.454  -2.479   0.281  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.883  -1.193   0.012  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.674   0.598  -0.111  1.00  0.00           N  
HETATM   16  N   UNL     1       0.942   1.717  -0.192  1.00  0.00           N  
HETATM   17  O   UNL     1       5.246  -0.502  -1.202  1.00  0.00           O  
HETATM   18  O   UNL     1       3.549  -2.067  -0.340  1.00  0.00           O  
HETATM   19  O   UNL     1       2.067   0.386   2.427  1.00  0.00           O  
HETATM   20  S   UNL     1       4.030  -0.740  -0.507  1.00  0.00           S  
HETATM   21 CL   UNL     1      -4.503   1.447  -0.452  1.00  0.00          Cl  
HETATM   22  H   UNL     1       2.902   1.901   1.310  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.772  -3.753   0.629  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.516   2.861   0.799  1.00  0.00           H  
HETATM   25  H   UNL     1       0.664   2.058   1.863  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.314  -0.142   1.311  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.564   0.948   1.959  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.396   0.257  -2.166  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.215  -0.546  -1.102  1.00  0.00           H  
HETATM   30  H   UNL     1       0.833   1.367  -2.261  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.417   2.457  -1.613  1.00  0.00           H  
HETATM   32  H   UNL     1       1.204  -0.324   0.233  1.00  0.00           H  
HETATM   33  H   UNL     1       2.147  -0.218  -1.986  1.00  0.00           H  
HETATM   34  H   UNL     1       3.104   1.252  -1.594  1.00  0.00           H  
HETATM   35  H   UNL     1       4.892   0.827   1.146  1.00  0.00           H  
HETATM   36  H   UNL     1       4.187  -0.623   1.921  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.126  -1.938   0.403  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.174  -3.278   0.380  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.938  -0.988  -0.097  1.00  0.00           H  
HETATM   40  H   UNL     1       2.552   0.582   3.241  1.00  0.00           H  
CONECT    1   11   19   22    9                                       
CONECT    2    4    4   12   15                                       
CONECT    3   12   12   13   23                                       
CONECT    4    2    2   14   21                                       
CONECT    5    6   16   24   25                                       
CONECT    6    5   15   26   27                                       
CONECT    7    8   15   28   29                                       
CONECT    8    7   16   30   31                                       
CONECT    9   10   16   32    1                                       
CONECT   10    9   20   33   34                                       
CONECT   11    1   20   35   36                                       
CONECT   12    2    3    3   37                                       
CONECT   13    3   14   14   38                                       
CONECT   14    4   13   13   39                                       
CONECT   15    2    6    7                                            
CONECT   16    5    8    9                                            
CONECT   17   20   20                                                 
CONECT   18   20   20                                                 
CONECT   19    1   40                                                 
CONECT   20   10   11   17   17                                       
CONECT   20   18   18                                                 
CONECT   21    4                                                      
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   19                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
