COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      47.891   8.838  78.689  1.00  0.00           O  
HETATM    2  C   UNL     1      48.831   8.191  79.198  1.00  0.00           C  
HETATM    3  N   UNL     1      50.095   8.209  78.895  1.00  0.00           N  
HETATM    4  C   UNL     1      50.882   9.024  79.497  1.00  0.00           C  
HETATM    5  O   UNL     1      50.992  10.225  79.202  1.00  0.00           O  
HETATM    6  C   UNL     1      50.713   7.260  77.931  1.00  0.00           C  
HETATM    7  C   UNL     1      50.249   7.424  76.485  1.00  0.00           C  
HETATM    8  C   UNL     1      49.797   6.302  75.775  1.00  0.00           C  
HETATM    9  C   UNL     1      49.331   6.397  74.466  1.00  0.00           C  
HETATM   10  C   UNL     1      48.815   5.319  73.624  1.00  0.00           C  
HETATM   11  C   UNL     1      50.262   8.675  75.863  1.00  0.00           C  
HETATM   12  C   UNL     1      49.813   8.796  74.545  1.00  0.00           C  
HETATM   13  C   UNL     1      49.371   7.647  73.887  1.00  0.00           C  
HETATM   14  S   UNL     1      48.783   7.590  72.320  1.00  0.00           S  
HETATM   15  C   UNL     1      48.465   5.903  72.400  1.00  0.00           C  
HETATM   16  B   UNL     1      47.958   5.149  71.148  1.00  0.00           B  
HETATM   17  O   UNL     1      48.908   4.007  70.815  1.00  0.00           O  
HETATM   18  O   UNL     1      47.623   5.919  69.860  1.00  0.00           O  
HETATM   19  H   UNL     1      48.555   7.524  80.001  1.00  0.00           H  
HETATM   20  H   UNL     1      51.484   8.643  80.308  1.00  0.00           H  
HETATM   21  H   UNL     1      50.455   6.240  78.252  1.00  0.00           H  
HETATM   22  H   UNL     1      51.794   7.466  77.938  1.00  0.00           H  
HETATM   23  H   UNL     1      49.811   5.336  76.258  1.00  0.00           H  
HETATM   24  H   UNL     1      48.722   4.277  73.893  1.00  0.00           H  
HETATM   25  H   UNL     1      50.617   9.544  76.398  1.00  0.00           H  
HETATM   26  H   UNL     1      49.808   9.755  74.048  1.00  0.00           H  
HETATM   27  H   UNL     1      49.106   4.020  69.886  1.00  0.00           H  
HETATM   28  H   UNL     1      47.554   6.846  70.054  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   19                                       
CONECT    3    2    6    4                                            
CONECT    4    3    5    5   20                                       
CONECT    5    4    4                                                 
CONECT    6    3    7   21   22                                       
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9   23                                       
CONECT    9    8   10   13   13                                       
CONECT   10    9   15   15   24                                       
CONECT   11    7   12   12   25                                       
CONECT   12   11   11   13   26                                       
CONECT   13    9    9   12   14                                       
CONECT   14   13   15                                                 
CONECT   15   10   10   14   16                                       
CONECT   16   15   18   17                                            
CONECT   17   16   27                                                 
CONECT   18   16   28                                                 
CONECT   19    2                                                      
CONECT   20    4                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    8                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   12                                                      
CONECT   27   17                                                      
CONECT   28   18                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
