COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.241  -3.393   1.523  1.00  0.00           C  
HETATM    2  C   UNL     1       6.368  -2.951   0.088  1.00  0.00           C  
HETATM    3  O   UNL     1       6.916  -3.670  -0.722  1.00  0.00           O  
HETATM    4  C   UNL     1       5.829  -1.657  -0.329  1.00  0.00           C  
HETATM    5  S   UNL     1       5.012  -0.512   0.726  1.00  0.00           S  
HETATM    6  C   UNL     1       5.890  -1.149  -1.601  1.00  0.00           C  
HETATM    7  C   UNL     1       5.318   0.083  -1.751  1.00  0.00           C  
HETATM    8  C   UNL     1       4.780   0.609  -0.609  1.00  0.00           C  
HETATM    9  C   UNL     1       4.110   1.917  -0.512  1.00  0.00           C  
HETATM   10  O   UNL     1       4.599   2.892  -1.049  1.00  0.00           O  
HETATM   11  N   UNL     1       2.955   2.033   0.173  1.00  0.00           N  
HETATM   12  C   UNL     1       2.395   0.883   0.896  1.00  0.00           C  
HETATM   13  C   UNL     1       0.947   0.673   0.441  1.00  0.00           C  
HETATM   14  C   UNL     1       2.236   3.313   0.216  1.00  0.00           C  
HETATM   15  C   UNL     1       0.790   3.082  -0.233  1.00  0.00           C  
HETATM   16  C   UNL     1       0.164   1.975   0.627  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.291   1.764   0.206  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.951   0.751   1.144  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.385   0.543   0.729  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.835   1.146  -0.222  1.00  0.00           O  
HETATM   21  N   UNL     1      -4.168  -0.313   1.416  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.460  -0.599   0.961  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.727  -0.625  -0.401  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.476  -0.861   1.871  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.750  -1.150   1.421  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.017  -1.176   0.065  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.007  -0.909  -0.848  1.00  0.00           C  
HETATM   28  O   UNL     1      -7.272  -0.935  -2.181  1.00  0.00           O  
HETATM   29  C   UNL     1      -8.611  -1.246  -2.571  1.00  0.00           C  
HETATM   30  H   UNL     1       7.112  -3.055   2.085  1.00  0.00           H  
HETATM   31  H   UNL     1       5.339  -2.963   1.958  1.00  0.00           H  
HETATM   32  H   UNL     1       6.182  -4.480   1.565  1.00  0.00           H  
HETATM   33  H   UNL     1       6.353  -1.680  -2.419  1.00  0.00           H  
HETATM   34  H   UNL     1       5.294   0.601  -2.698  1.00  0.00           H  
HETATM   35  H   UNL     1       2.980  -0.009   0.674  1.00  0.00           H  
HETATM   36  H   UNL     1       2.419   1.079   1.968  1.00  0.00           H  
HETATM   37  H   UNL     1       0.934   0.388  -0.610  1.00  0.00           H  
HETATM   38  H   UNL     1       0.489  -0.115   1.038  1.00  0.00           H  
HETATM   39  H   UNL     1       2.245   3.704   1.233  1.00  0.00           H  
HETATM   40  H   UNL     1       2.719   4.026  -0.453  1.00  0.00           H  
HETATM   41  H   UNL     1       0.220   4.003  -0.114  1.00  0.00           H  
HETATM   42  H   UNL     1       0.778   2.778  -1.279  1.00  0.00           H  
HETATM   43  H   UNL     1       0.200   2.267   1.677  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.827   2.712   0.261  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.323   1.387  -0.816  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.416  -0.197   1.089  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.920   1.128   2.166  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.836  -0.731   2.226  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.938  -0.425  -1.111  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.269  -0.841   2.931  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.537  -1.359   2.130  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.014  -1.402  -0.283  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.292  -0.506  -2.151  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.685  -1.234  -3.658  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.877  -2.236  -2.200  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    6    6    2                                       
CONECT    5    8    4                                                 
CONECT    6    7    4    4   33                                       
CONECT    7    8    8    6   34                                       
CONECT    8    9    7    7    5                                       
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   14    9   12                                            
CONECT   12   11   13   35   36                                       
CONECT   13   16   12   37   38                                       
CONECT   14   15   11   39   40                                       
CONECT   15   14   16   41   42                                       
CONECT   16   15   17   13   43                                       
CONECT   17   18   16   44   45                                       
CONECT   18   19   17   46   47                                       
CONECT   19   20   20   21   18                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   48                                            
CONECT   22   24   24   23   21                                       
CONECT   23   27   27   22   49                                       
CONECT   24   25   22   22   50                                       
CONECT   25   26   26   24   51                                       
CONECT   26   25   25   27   52                                       
CONECT   27   26   28   23   23                                       
CONECT   28   27   29                                                 
CONECT   29   28   53   54   55                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
