COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.893  -2.116  -0.287  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.841  -1.236  -0.486  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.248   4.885  -0.280  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.313   4.006  -0.085  1.00  0.00           C  
HETATM    5  C   UNL     1       2.478  -0.216   0.664  1.00  0.00           C  
HETATM    6  C   UNL     1       3.723  -0.824   0.512  1.00  0.00           C  
HETATM    7  C   UNL     1       4.094  -1.799   1.423  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.013   4.438  -0.346  1.00  0.00           N  
HETATM    9  C   UNL     1       3.225  -2.135   2.444  1.00  0.00           C  
HETATM   10  C   UNL     1       1.663  -0.605   1.719  1.00  0.00           C  
HETATM   11  C   UNL     1       3.914  -0.869  -2.308  1.00  0.00           C  
HETATM   12  S   UNL     1       4.797  -0.364  -0.807  1.00  0.00           S  
HETATM   13  O   UNL     1       4.868   1.053  -0.723  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.020  -3.524  -2.130  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.309   0.381   0.035  1.00  0.00           C  
HETATM   16  O   UNL     1       5.953  -1.168  -0.614  1.00  0.00           O  
HETATM   17  N   UNL     1       2.054  -1.541   2.561  1.00  0.00           N  
HETATM   18  N   UNL     1       2.058   0.773  -0.230  1.00  0.00           N  
HETATM   19  C   UNL     1       0.755   1.267  -0.162  1.00  0.00           C  
HETATM   20  C   UNL     1       0.533   2.621  -0.290  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.776   3.126  -0.224  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.104   2.715   0.043  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.860   2.235  -0.025  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.607   0.847   0.104  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.728  -0.099   0.312  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.009  -3.258  -1.084  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.121  -4.188  -0.872  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.828  -1.866   0.711  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.717  -0.738   1.502  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.675   0.146   1.306  1.00  0.00           C  
HETATM   31  H   UNL     1      -2.110  -1.430  -1.257  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.439   5.943  -0.383  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.321   4.391  -0.038  1.00  0.00           H  
HETATM   34  H   UNL     1       5.051  -2.291   1.336  1.00  0.00           H  
HETATM   35  H   UNL     1       3.510  -2.895   3.157  1.00  0.00           H  
HETATM   36  H   UNL     1       0.696  -0.140   1.847  1.00  0.00           H  
HETATM   37  H   UNL     1       2.958  -0.347  -2.361  1.00  0.00           H  
HETATM   38  H   UNL     1       4.513  -0.619  -3.184  1.00  0.00           H  
HETATM   39  H   UNL     1       3.739  -1.945  -2.282  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.204  -4.119  -1.717  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.492  -4.073  -2.946  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.626  -2.580  -2.507  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.115  -0.676   0.133  1.00  0.00           H  
HETATM   44  H   UNL     1       2.673   1.117  -0.897  1.00  0.00           H  
HETATM   45  H   UNL     1       1.364   3.293  -0.441  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.966  -3.891  -1.493  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.807  -5.196  -1.144  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.416  -4.170   0.177  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.645  -2.555   0.868  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.447  -0.549   2.275  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.591   1.026   1.927  1.00  0.00           H  
CONECT    1    2    2   28   26                                       
CONECT    2   25    1    1   31                                       
CONECT    3    8    4    4   32                                       
CONECT    4    3    3   22   33                                       
CONECT    5   10   10    6   18                                       
CONECT    6    7    7    5   12                                       
CONECT    7    9    6    6   34                                       
CONECT    8   21   21    3                                            
CONECT    9   17   17    7   35                                       
CONECT   10   17    5    5   36                                       
CONECT   11   12   37   38   39                                       
CONECT   12    6   13   13   16                                       
CONECT   12   16   11                                                 
CONECT   13   12   12                                                 
CONECT   14   26   40   41   42                                       
CONECT   15   19   24   24   43                                       
CONECT   16   12   12                                                 
CONECT   17    9    9   10                                            
CONECT   18    5   19   44                                            
CONECT   19   18   20   20   15                                       
CONECT   20   19   19   21   45                                       
CONECT   21   20    8    8   23                                       
CONECT   22   23   23    4                                            
CONECT   23   21   24   22   22                                       
CONECT   24   15   15   23   25                                       
CONECT   25   24   30   30    2                                       
CONECT   26    1   14   27                                            
CONECT   27   26   46   47   48                                       
CONECT   28   29   29    1   49                                       
CONECT   29   30   28   28   50                                       
CONECT   30   25   25   29   51                                       
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
