COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.402   2.354  -0.187  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.245   0.140  -0.056  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.389   2.538  -0.568  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.303  -0.455   0.555  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.310  -1.222   0.025  1.00  0.00           C  
HETATM    6  C   UNL     1       0.740  -2.635   0.115  1.00  0.00           C  
HETATM    7  C   UNL     1       2.894  -1.696  -0.355  1.00  0.00           C  
HETATM    8  C   UNL     1       5.637   0.599   0.408  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.438   1.184  -0.035  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.001   1.291  -0.221  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.885  -0.048   0.296  1.00  0.00           C  
HETATM   12  S   UNL     1      -4.431  -1.056   0.354  1.00  0.00           S  
HETATM   13  C   UNL     1      -7.818   1.804  -0.368  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.873  -0.016  -0.181  1.00  0.00           N  
HETATM   15  N   UNL     1      -2.903   3.527  -0.843  1.00  0.00           N  
HETATM   16  C   UNL     1      -8.141   0.816   0.756  1.00  0.00           C  
HETATM   17  C   UNL     1       0.152  -1.387  -0.109  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.004  -2.175   0.321  1.00  0.00           O  
HETATM   19  C   UNL     1       0.953  -0.295  -0.449  1.00  0.00           C  
HETATM   20  C   UNL     1       2.316  -0.455  -0.573  1.00  0.00           C  
HETATM   21  C   UNL     1       2.107  -2.782  -0.012  1.00  0.00           C  
HETATM   22 CL   UNL     1      -0.245  -3.998   0.546  1.00  0.00          Cl  
HETATM   23  S   UNL     1       3.327   0.921  -1.008  1.00  0.00           S  
HETATM   24  N   UNL     1       4.315   1.237   0.282  1.00  0.00           N  
HETATM   25  O   UNL     1       4.182   0.459  -2.045  1.00  0.00           O  
HETATM   26  O   UNL     1       2.447   2.032  -1.102  1.00  0.00           O  
HETATM   27 CL   UNL     1       4.612  -1.889  -0.514  1.00  0.00          Cl  
HETATM   28  C   UNL     1       3.909   2.172   1.345  1.00  0.00           C  
HETATM   29  C   UNL     1       5.076   3.119   1.626  1.00  0.00           C  
HETATM   30  C   UNL     1       6.659   1.683   0.764  1.00  0.00           C  
HETATM   31  O   UNL     1       6.242   2.363   1.947  1.00  0.00           O  
HETATM   32  H   UNL     1      -6.125   2.944  -1.060  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.364   2.978   0.706  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.685  -1.016  -0.297  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.350  -1.071   1.453  1.00  0.00           H  
HETATM   36  H   UNL     1       5.609  -0.154   1.196  1.00  0.00           H  
HETATM   37  H   UNL     1       5.911   0.131  -0.538  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.889   1.294  -1.329  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.532   2.627  -0.344  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.319   0.745  -0.418  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.201   0.563   0.727  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.898   1.266   1.719  1.00  0.00           H  
HETATM   43  H   UNL     1       0.504   0.673  -0.620  1.00  0.00           H  
HETATM   44  H   UNL     1       2.564  -3.746   0.156  1.00  0.00           H  
HETATM   45  H   UNL     1       3.040   2.744   1.022  1.00  0.00           H  
HETATM   46  H   UNL     1       3.667   1.610   2.248  1.00  0.00           H  
HETATM   47  H   UNL     1       4.823   3.770   2.462  1.00  0.00           H  
HETATM   48  H   UNL     1       5.268   3.725   0.740  1.00  0.00           H  
HETATM   49  H   UNL     1       7.633   1.223   0.934  1.00  0.00           H  
HETATM   50  H   UNL     1       6.734   2.396  -0.057  1.00  0.00           H  
CONECT    1    9   13   32   33                                       
CONECT    2   10   10   12   14                                       
CONECT    3   10   15   15   15                                       
CONECT    4   11   16   34   35                                       
CONECT    5   14   17   18   18                                       
CONECT    6   17   17   21   22                                       
CONECT    7   20   21   21   27                                       
CONECT    8   24   30   36   37                                       
CONECT    9    1   10   11   11                                       
CONECT   10    2    2    3    9                                       
CONECT   11    4    9    9   12                                       
CONECT   12    2   11                                                 
CONECT   13    1   16   38   39                                       
CONECT   14    2    5   40                                            
CONECT   15    3    3    3                                            
CONECT   16    4   13   41   42                                       
CONECT   17    5    6    6   19                                       
CONECT   18    5    5                                                 
CONECT   19   17   20   20   43                                       
CONECT   20    7   19   19   23                                       
CONECT   21    6    7    7   44                                       
CONECT   22    6                                                      
CONECT   23   20   24   25   25                                       
CONECT   23   26   26                                                 
CONECT   24    8   23   28                                            
CONECT   25   23   23                                                 
CONECT   26   23   23                                                 
CONECT   27    7                                                      
CONECT   28   24   29   45   46                                       
CONECT   29   28   31   47   48                                       
CONECT   30    8   31   49   50                                       
CONECT   31   29   30                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
