COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.146   1.054   1.447  1.00  0.00           O  
HETATM    2  O   UNL     1       0.099   1.872  -0.875  1.00  0.00           O  
HETATM    3  O   UNL     1      -4.327  -1.619  -0.908  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.040   0.280   0.482  1.00  0.00           O  
HETATM    5  C   UNL     1       4.797  -0.334   0.161  1.00  0.00           C  
HETATM    6  C   UNL     1       3.996  -0.790   1.191  1.00  0.00           C  
HETATM    7  C   UNL     1       4.233   0.002  -1.056  1.00  0.00           C  
HETATM    8  C   UNL     1       2.632  -0.912   1.005  1.00  0.00           C  
HETATM    9  C   UNL     1       2.869  -0.121  -1.243  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.555  -0.444   0.572  1.00  0.00           C  
HETATM   11  C   UNL     1       0.581  -0.712  -0.416  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.844   0.559  -0.225  1.00  0.00           N  
HETATM   13  C   UNL     1       2.068  -0.577  -0.213  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.235   0.842   0.045  1.00  0.00           S  
HETATM   15  B   UNL     1      -4.021  -0.599   0.032  1.00  0.00           B  
HETATM   16  H   UNL     1       5.862  -0.234   0.308  1.00  0.00           H  
HETATM   17  H   UNL     1       4.437  -1.052   2.142  1.00  0.00           H  
HETATM   18  H   UNL     1       4.859   0.358  -1.861  1.00  0.00           H  
HETATM   19  H   UNL     1       2.007  -1.269   1.810  1.00  0.00           H  
HETATM   20  H   UNL     1       2.429   0.141  -2.194  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.037  -1.401   0.498  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.583  -0.126   1.614  1.00  0.00           H  
HETATM   23  H   UNL     1       0.377  -0.933  -1.464  1.00  0.00           H  
HETATM   24  H   UNL     1       0.201  -1.521   0.207  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.316   1.057  -0.910  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.556  -2.117  -1.213  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.909   0.107   0.094  1.00  0.00           H  
CONECT    1   14   14                                                 
CONECT    2   14   14                                                 
CONECT    3   15   26                                                 
CONECT    4   15   27                                                 
CONECT    5    6    6    7   16                                       
CONECT    6    5    5    8   17                                       
CONECT    7    5    9    9   18                                       
CONECT    8    6   13   13   19                                       
CONECT    9    7    7   13   20                                       
CONECT   10   12   15   21   22                                       
CONECT   11   13   14   23   24                                       
CONECT   12   10   14   25                                            
CONECT   13    8    8    9   11                                       
CONECT   14    1    1    2    2                                       
CONECT   14   11   12                                                 
CONECT   15    3    4   10                                            
CONECT   16    5                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    8                                                      
CONECT   20    9                                                      
CONECT   21   10                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
