COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.489   1.254   0.700  1.00  0.00           C  
HETATM    2  C   UNL     1       1.227   1.841   0.591  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.540   3.103   0.655  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.229   1.693  -0.577  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.963   0.701   0.328  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.345   0.404  -0.257  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.872  -1.491  -1.211  1.00  0.00           C  
HETATM    8  C   UNL     1       0.196   1.156  -0.074  1.00  0.00           C  
HETATM    9  C   UNL     1       0.437  -0.112  -0.624  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.642  -0.834  -1.322  1.00  0.00           C  
HETATM   11  C   UNL     1       1.701  -0.685  -0.507  1.00  0.00           C  
HETATM   12  C   UNL     1       7.938  -2.401   0.611  1.00  0.00           C  
HETATM   13  C   UNL     1       6.574  -1.772   0.489  1.00  0.00           C  
HETATM   14  C   UNL     1       6.453  -0.473   0.032  1.00  0.00           C  
HETATM   15  C   UNL     1       5.205   0.108  -0.082  1.00  0.00           C  
HETATM   16  C   UNL     1       4.067  -0.618   0.266  1.00  0.00           C  
HETATM   17  C   UNL     1       4.195  -1.927   0.726  1.00  0.00           C  
HETATM   18  C   UNL     1       5.447  -2.499   0.830  1.00  0.00           C  
HETATM   19  C   UNL     1       2.723   0.001   0.147  1.00  0.00           C  
HETATM   20  N   UNL     1       0.709   3.025   1.011  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.905   1.977  -0.017  1.00  0.00           N  
HETATM   22  N   UNL     1      -5.049  -0.545   0.609  1.00  0.00           N  
HETATM   23  O   UNL     1      -7.219   0.548   0.475  1.00  0.00           O  
HETATM   24  O   UNL     1      -7.010  -1.719   1.444  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.233  -0.302  -2.241  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.974  -2.083  -0.941  1.00  0.00           O  
HETATM   27  S   UNL     1      -6.681  -0.767   0.442  1.00  0.00           S  
HETATM   28 CL   UNL     1       5.054   1.740  -0.655  1.00  0.00          Cl  
HETATM   29  H   UNL     1       3.285   1.776   1.209  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.191   3.940   0.862  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.117   1.262  -1.572  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.802   2.618  -0.643  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.390  -0.224   0.394  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.075   1.132   1.323  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.918   1.329  -0.323  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.234  -0.026  -1.252  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.326  -2.433  -1.260  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.928  -1.672  -1.408  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.476  -0.802  -1.957  1.00  0.00           H  
HETATM   40  H   UNL     1       1.890  -1.661  -0.928  1.00  0.00           H  
HETATM   41  H   UNL     1       8.340  -2.206   1.605  1.00  0.00           H  
HETATM   42  H   UNL     1       7.857  -3.477   0.456  1.00  0.00           H  
HETATM   43  H   UNL     1       8.603  -1.975  -0.140  1.00  0.00           H  
HETATM   44  H   UNL     1       7.335   0.088  -0.237  1.00  0.00           H  
HETATM   45  H   UNL     1       3.317  -2.494   0.997  1.00  0.00           H  
HETATM   46  H   UNL     1       5.548  -3.515   1.183  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.558  -1.044   1.281  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.688  -2.516  -1.429  1.00  0.00           H  
CONECT    1   19   19    2   29                                       
CONECT    2    1   20    8    8                                       
CONECT    3   20   20   21   30                                       
CONECT    4   21    5   31   32                                       
CONECT    5    4    6   33   34                                       
CONECT    6    5   22   35   36                                       
CONECT    7   27   37   38   39                                       
CONECT    8    2    2   21    9                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   25   25   26                                       
CONECT   11   19    9    9   40                                       
CONECT   12   13   41   42   43                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   44                                       
CONECT   15   14   28   16   16                                       
CONECT   16   15   15   17   19                                       
CONECT   17   16   18   18   45                                       
CONECT   18   13   17   17   46                                       
CONECT   19   16    1    1   11                                       
CONECT   20    2    3    3                                            
CONECT   21    3    4    8                                            
CONECT   22    6   27   47                                            
CONECT   23   27   27                                                 
CONECT   24   27   27                                                 
CONECT   25   10   10                                                 
CONECT   26   10   48                                                 
CONECT   27   22    7   23   23                                       
CONECT   27   24   24                                                 
CONECT   28   15                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   22                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
