COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.912   1.902   0.394  1.00  0.00           C  
HETATM    2  C   UNL     1       5.025   1.596  -0.815  1.00  0.00           C  
HETATM    3  N   UNL     1       4.102   0.508  -0.481  1.00  0.00           N  
HETATM    4  C   UNL     1       4.363  -0.814  -0.657  1.00  0.00           C  
HETATM    5  O   UNL     1       5.388  -1.286  -1.113  1.00  0.00           O  
HETATM    6  C   UNL     1       3.193  -1.571  -0.202  1.00  0.00           C  
HETATM    7  C   UNL     1       2.781  -2.889  -0.095  1.00  0.00           C  
HETATM    8  C   UNL     1       1.521  -3.179   0.422  1.00  0.00           C  
HETATM    9  C   UNL     1       0.639  -2.203   0.843  1.00  0.00           C  
HETATM   10  C   UNL     1       1.023  -0.858   0.749  1.00  0.00           C  
HETATM   11  C   UNL     1       2.289  -0.587   0.229  1.00  0.00           C  
HETATM   12  C   UNL     1       2.836   0.681   0.068  1.00  0.00           C  
HETATM   13  C   UNL     1       2.045   1.746   0.462  1.00  0.00           C  
HETATM   14  C   UNL     1       0.778   1.519   0.990  1.00  0.00           C  
HETATM   15  C   UNL     1       0.237   0.250   1.135  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.036   0.073   1.669  1.00  0.00           N  
HETATM   17  S   UNL     1      -2.229   1.175   1.348  1.00  0.00           S  
HETATM   18  O   UNL     1      -3.427   0.638   1.891  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.710   2.446   1.715  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.448   1.213  -0.400  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.194   2.372  -1.104  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.365   2.403  -2.477  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.791   1.274  -3.153  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.049   0.108  -2.462  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.872   0.068  -1.077  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.141  -1.179  -0.331  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.905  -1.237   0.859  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.647  -2.251  -0.971  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.991  -3.402  -0.156  1.00  0.00           C  
HETATM   30  H   UNL     1       5.287   2.202   1.235  1.00  0.00           H  
HETATM   31  H   UNL     1       6.481   1.012   0.662  1.00  0.00           H  
HETATM   32  H   UNL     1       6.598   2.711   0.145  1.00  0.00           H  
HETATM   33  H   UNL     1       4.456   2.486  -1.084  1.00  0.00           H  
HETATM   34  H   UNL     1       5.650   1.296  -1.657  1.00  0.00           H  
HETATM   35  H   UNL     1       3.434  -3.689  -0.412  1.00  0.00           H  
HETATM   36  H   UNL     1       1.219  -4.213   0.496  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.329  -2.471   1.238  1.00  0.00           H  
HETATM   38  H   UNL     1       2.413   2.757   0.360  1.00  0.00           H  
HETATM   39  H   UNL     1       0.183   2.370   1.289  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.224  -0.697   2.228  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.862   3.257  -0.582  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.165   3.313  -3.023  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.923   1.305  -4.224  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.382  -0.772  -2.991  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.122  -3.709   0.426  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.806  -3.139   0.519  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.304  -4.223  -0.801  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3   33   34                                       
CONECT    3    2   12    4                                            
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4   11   11    7                                       
CONECT    7    6    8    8   35                                       
CONECT    8    7    7    9   36                                       
CONECT    9   10   10    8   37                                       
CONECT   10   11   15    9    9                                       
CONECT   11   12    6    6   10                                       
CONECT   12    3   13   13   11                                       
CONECT   13   12   12   14   38                                       
CONECT   14   13   15   15   39                                       
CONECT   15   14   14   10   16                                       
CONECT   16   15   17   40                                            
CONECT   17   18   18   16   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   21   25                                       
CONECT   21   20   20   22   41                                       
CONECT   22   21   23   23   42                                       
CONECT   23   22   22   24   43                                       
CONECT   24   25   25   23   44                                       
CONECT   25   20   26   24   24                                       
CONECT   26   27   27   25   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29                                                 
CONECT   29   28   45   46   47                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
