COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.407  13.617  15.719  1.00  0.00           C  
HETATM    2  C   UNL     1       9.924  12.809  16.743  1.00  0.00           C  
HETATM    3  C   UNL     1       8.616  12.342  16.698  1.00  0.00           C  
HETATM    4 CL   UNL     1       8.011  11.328  17.960  1.00  0.00          Cl  
HETATM    5  C   UNL     1       7.791  12.684  15.635  1.00  0.00           C  
HETATM    6  C   UNL     1       8.270  13.499  14.617  1.00  0.00           C  
HETATM    7  C   UNL     1       9.582  13.953  14.651  1.00  0.00           C  
HETATM    8  N   UNL     1      10.026  14.745  13.680  1.00  0.00           N  
HETATM    9  C   UNL     1      11.219  15.328  13.770  1.00  0.00           C  
HETATM   10  S   UNL     1      11.709  16.329  12.582  1.00  0.00           S  
HETATM   11  O   UNL     1      12.023  15.108  14.846  1.00  0.00           O  
HETATM   12  C   UNL     1      13.147  16.004  14.798  1.00  0.00           C  
HETATM   13  C   UNL     1      14.111  15.671  15.943  1.00  0.00           C  
HETATM   14  N   UNL     1      13.367  15.697  17.207  1.00  0.00           N  
HETATM   15  C   UNL     1      13.067  16.790  17.903  1.00  0.00           C  
HETATM   16  O   UNL     1      13.405  17.937  17.615  1.00  0.00           O  
HETATM   17  C   UNL     1      12.331  16.431  19.024  1.00  0.00           C  
HETATM   18  C   UNL     1      11.781  17.154  20.074  1.00  0.00           C  
HETATM   19  C   UNL     1      11.069  16.485  21.062  1.00  0.00           C  
HETATM   20  C   UNL     1      10.918  15.105  21.002  1.00  0.00           C  
HETATM   21  C   UNL     1      11.476  14.385  19.954  1.00  0.00           C  
HETATM   22  C   UNL     1      12.182  15.053  18.964  1.00  0.00           C  
HETATM   23  C   UNL     1      12.835  14.641  17.808  1.00  0.00           C  
HETATM   24  O   UNL     1      12.924  13.481  17.411  1.00  0.00           O  
HETATM   25  H   UNL     1      11.422  13.983  15.753  1.00  0.00           H  
HETATM   26  H   UNL     1      10.564  12.545  17.572  1.00  0.00           H  
HETATM   27  H   UNL     1       6.776  12.316  15.599  1.00  0.00           H  
HETATM   28  H   UNL     1       7.622  13.779  13.800  1.00  0.00           H  
HETATM   29  H   UNL     1       9.457  14.905  12.873  1.00  0.00           H  
HETATM   30  H   UNL     1      13.667  15.890  13.835  1.00  0.00           H  
HETATM   31  H   UNL     1      12.796  17.041  14.903  1.00  0.00           H  
HETATM   32  H   UNL     1      14.542  14.671  15.786  1.00  0.00           H  
HETATM   33  H   UNL     1      14.926  16.409  15.973  1.00  0.00           H  
HETATM   34  H   UNL     1      11.905  18.226  20.122  1.00  0.00           H  
HETATM   35  H   UNL     1      10.632  17.039  21.879  1.00  0.00           H  
HETATM   36  H   UNL     1      10.365  14.590  21.774  1.00  0.00           H  
HETATM   37  H   UNL     1      11.361  13.312  19.910  1.00  0.00           H  
CONECT    1    2    7    7   25                                       
CONECT    2    1    3    3   26                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3                                                      
CONECT    5    3    6    6   27                                       
CONECT    6    5    5    7   28                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7    9   29                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   30   31                                       
CONECT   13   12   14   32   33                                       
CONECT   14   13   15   23                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   22   22                                       
CONECT   18   17   19   19   34                                       
CONECT   19   18   18   20   35                                       
CONECT   20   19   21   21   36                                       
CONECT   21   20   20   22   37                                       
CONECT   22   17   17   21   23                                       
CONECT   23   14   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
