COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.312  -0.087   0.481  1.00  0.00           O  
HETATM    2  C   UNL     1       3.547   4.618   0.643  1.00  0.00           C  
HETATM    3  C   UNL     1       1.811   1.448   0.004  1.00  0.00           C  
HETATM    4  O   UNL     1       5.042  -2.177   0.837  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.529   1.005  -0.001  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.419  -0.820   0.501  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.938   1.405  -0.356  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.880   0.279  -0.017  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.240  -1.897   0.836  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.575  -1.861   0.640  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.171  -0.651   0.059  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.541  -0.541  -0.171  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.047   0.618  -0.719  1.00  0.00           C  
HETATM   14  N   UNL     1       4.272  -2.341  -1.502  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.206   1.675  -1.043  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.849   1.588  -0.824  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.314   0.424  -0.271  1.00  0.00           C  
HETATM   18  S   UNL     1       3.858  -2.013   0.068  1.00  0.00           S  
HETATM   19  O   UNL     1       2.659  -2.730   0.325  1.00  0.00           O  
HETATM   20  C   UNL     1       5.461  -1.719  -2.091  1.00  0.00           C  
HETATM   21  C   UNL     1       3.443  -0.302   0.151  1.00  0.00           C  
HETATM   22  C   UNL     1       2.139   0.102  -0.062  1.00  0.00           C  
HETATM   23  C   UNL     1       2.799   2.389   0.285  1.00  0.00           C  
HETATM   24  O   UNL     1       2.482   3.710   0.351  1.00  0.00           O  
HETATM   25  C   UNL     1       4.104   1.976   0.497  1.00  0.00           C  
HETATM   26  C   UNL     1       4.423   0.632   0.430  1.00  0.00           C  
HETATM   27  N   UNL     1       0.490   1.860  -0.218  1.00  0.00           N  
HETATM   28  O   UNL     1      -5.272  -2.813   0.940  1.00  0.00           O  
HETATM   29  H   UNL     1       3.978   4.371   1.613  1.00  0.00           H  
HETATM   30  H   UNL     1       4.314   4.538  -0.127  1.00  0.00           H  
HETATM   31  H   UNL     1       3.159   5.636   0.667  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.216   2.295   0.209  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.996   1.619  -1.423  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.841  -2.694   1.219  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.201  -1.358   0.077  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.108   0.705  -0.899  1.00  0.00           H  
HETATM   37  H   UNL     1       3.727  -2.944  -2.031  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.621   2.575  -1.472  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.204   2.415  -1.080  1.00  0.00           H  
HETATM   40  H   UNL     1       5.353  -0.635  -2.069  1.00  0.00           H  
HETATM   41  H   UNL     1       6.343  -2.009  -1.520  1.00  0.00           H  
HETATM   42  H   UNL     1       5.571  -2.052  -3.124  1.00  0.00           H  
HETATM   43  H   UNL     1       1.375  -0.631  -0.279  1.00  0.00           H  
HETATM   44  H   UNL     1       4.872   2.703   0.715  1.00  0.00           H  
HETATM   45  H   UNL     1       5.441   0.312   0.596  1.00  0.00           H  
HETATM   46  H   UNL     1       0.309   2.762  -0.527  1.00  0.00           H  
CONECT    1    5    5                                                 
CONECT    2   24   29   30   31                                       
CONECT    3   27   23   23   22                                       
CONECT    4   18   18                                                 
CONECT    5    7   27    1    1                                       
CONECT    6    8    8    9                                            
CONECT    7    5    8   32   33                                       
CONECT    8    7    6    6   17                                       
CONECT    9    6   10   34                                            
CONECT   10    9   28   28   11                                       
CONECT   11   17   10   12   12                                       
CONECT   12   11   11   13   35                                       
CONECT   13   15   15   12   36                                       
CONECT   14   18   20   37                                            
CONECT   15   16   13   13   38                                       
CONECT   16   17   17   15   39                                       
CONECT   17    8   16   16   11                                       
CONECT   18   19   19   21    4                                       
CONECT   18    4   14                                                 
CONECT   19   18   18                                                 
CONECT   20   14   40   41   42                                       
CONECT   21   22   22   26   18                                       
CONECT   22    3   21   21   43                                       
CONECT   23   24    3    3   25                                       
CONECT   24    2   23                                                 
CONECT   25   23   26   26   44                                       
CONECT   26   25   25   21   45                                       
CONECT   27    3    5   46                                            
CONECT   28   10   10                                                 
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
