COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.152   1.070  -0.834  1.00  0.00           C  
HETATM    2  C   UNL     1       5.212  -0.010   0.034  1.00  0.00           C  
HETATM    3  C   UNL     1       4.260  -1.009  -0.040  1.00  0.00           C  
HETATM    4  C   UNL     1       3.248  -0.932  -0.979  1.00  0.00           C  
HETATM    5  C   UNL     1       3.186   0.144  -1.845  1.00  0.00           C  
HETATM    6  C   UNL     1       4.135   1.145  -1.775  1.00  0.00           C  
HETATM    7  C   UNL     1       2.211  -2.023  -1.059  1.00  0.00           C  
HETATM    8  C   UNL     1       1.055  -1.683  -0.154  1.00  0.00           C  
HETATM    9  C   UNL     1       1.148  -1.919   1.206  1.00  0.00           C  
HETATM   10 CL   UNL     1       2.598  -2.605   1.871  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -0.097  -1.132  -0.682  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.156  -0.815   0.149  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.063  -1.051   1.508  1.00  0.00           C  
HETATM   14  C   UNL     1       0.086  -1.608   2.036  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.409  -0.208  -0.427  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.479  -1.293  -0.579  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.768  -0.657  -1.107  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.203   0.459  -0.152  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.067   1.476  -0.016  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.890   0.813   0.450  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.023  -2.287  -1.499  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.365   1.107  -0.673  1.00  0.00           O  
HETATM   23  S   UNL     1      -4.546   2.763   1.169  1.00  0.00           S  
HETATM   24  O   UNL     1      -5.794  -1.648  -1.183  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.242   4.008   0.969  1.00  0.00           C  
HETATM   26  O   UNL     1       6.084   2.056  -0.759  1.00  0.00           O  
HETATM   27  C   UNL     1       7.102   1.913   0.234  1.00  0.00           C  
HETATM   28  C   UNL     1       8.052   3.110   0.167  1.00  0.00           C  
HETATM   29  H   UNL     1       6.003  -0.071   0.768  1.00  0.00           H  
HETATM   30  H   UNL     1       4.306  -1.850   0.636  1.00  0.00           H  
HETATM   31  H   UNL     1       2.395   0.202  -2.578  1.00  0.00           H  
HETATM   32  H   UNL     1       4.084   1.987  -2.449  1.00  0.00           H  
HETATM   33  H   UNL     1       1.855  -2.111  -2.085  1.00  0.00           H  
HETATM   34  H   UNL     1       2.654  -2.968  -0.744  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.170  -0.947  -1.743  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.891  -0.803   2.156  1.00  0.00           H  
HETATM   37  H   UNL     1       0.159  -1.791   3.098  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.189   0.225  -1.402  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.671  -1.754   0.390  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.589  -0.239  -2.098  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.430   0.033   0.826  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.869   1.931  -0.986  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.653  -3.006  -1.644  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.697   1.826  -0.117  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.642  -1.313  -1.505  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.275   3.562   1.202  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.237   4.367  -0.061  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.430   4.843   1.643  1.00  0.00           H  
HETATM   49  H   UNL     1       6.642   1.868   1.222  1.00  0.00           H  
HETATM   50  H   UNL     1       7.661   0.994   0.052  1.00  0.00           H  
HETATM   51  H   UNL     1       8.512   3.154  -0.820  1.00  0.00           H  
HETATM   52  H   UNL     1       7.494   4.028   0.349  1.00  0.00           H  
HETATM   53  H   UNL     1       8.828   3.000   0.924  1.00  0.00           H  
CONECT    1    2    2    6   26                                       
CONECT    2    3    1    1   29                                       
CONECT    3    4    4    2   30                                       
CONECT    4    7    3    3    5                                       
CONECT    5    4    6    6   31                                       
CONECT    6    5    5    1   32                                       
CONECT    7    8    4   33   34                                       
CONECT    8   11   11    9    7                                       
CONECT    9   14   14    8   10                                       
CONECT   10    9                                                      
CONECT   11   12    8    8   35                                       
CONECT   12   15   13   13   11                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13    9    9   37                                       
CONECT   15   16   20   12   38                                       
CONECT   16   17   21   15   39                                       
CONECT   17   24   18   16   40                                       
CONECT   18   22   17   19   41                                       
CONECT   19   18   23   20   42                                       
CONECT   20   19   15                                                 
CONECT   21   16   43                                                 
CONECT   22   18   44                                                 
CONECT   23   19   25                                                 
CONECT   24   17   45                                                 
CONECT   25   23   46   47   48                                       
CONECT   26    1   27                                                 
CONECT   27   26   28   49   50                                       
CONECT   28   27   51   52   53                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
