COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.258  -0.102   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       2.903   1.223   0.005  1.00  0.00           C  
HETATM    3  O   UNL     1       4.247   1.318  -0.001  1.00  0.00           O  
HETATM    4  O   UNL     1       2.223   2.230   0.014  1.00  0.00           O  
HETATM    5  C   UNL     1       0.850  -0.202   0.001  1.00  0.00           C  
HETATM    6  S   UNL     1      -0.386   1.049   0.014  1.00  0.00           S  
HETATM    7  C   UNL     1      -1.680  -0.134   0.006  1.00  0.00           C  
HETATM    8  B   UNL     1      -3.194   0.223   0.011  1.00  0.00           B1-
HETATM    9  O   UNL     1      -3.787  -0.290  -1.109  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.784  -0.309   1.123  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.342   1.582   0.023  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.207  -1.363  -0.005  1.00  0.00           C  
HETATM   13  C   UNL     1       0.244  -1.462  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1       1.062  -2.611  -0.018  1.00  0.00           C  
HETATM   15  C   UNL     1       2.431  -2.499  -0.019  1.00  0.00           C  
HETATM   16  C   UNL     1       3.037  -1.255  -0.009  1.00  0.00           C  
HETATM   17  H   UNL     1       4.625   2.208   0.002  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.734  -0.105  -1.172  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.718  -1.272   1.181  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.947   2.028  -0.738  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.848  -2.233  -0.011  1.00  0.00           H  
HETATM   22  H   UNL     1       0.606  -3.591  -0.025  1.00  0.00           H  
HETATM   23  H   UNL     1       3.041  -3.390  -0.026  1.00  0.00           H  
HETATM   24  H   UNL     1       4.114  -1.180  -0.014  1.00  0.00           H  
CONECT    1    5    5   16    2                                       
CONECT    2    1    4    4    3                                       
CONECT    3    2   17                                                 
CONECT    4    2    2                                                 
CONECT    5   13    6    1    1                                       
CONECT    6    7    5                                                 
CONECT    7    8   12   12    6                                       
CONECT    8   10    9   11    7                                       
CONECT    9    8   18                                                 
CONECT   10    8   19                                                 
CONECT   11    8   20                                                 
CONECT   12    7    7   13   21                                       
CONECT   13   12   14   14    5                                       
CONECT   14   13   13   15   22                                       
CONECT   15   14   16   16   23                                       
CONECT   16   15   15    1   24                                       
CONECT   17    3                                                      
CONECT   18    9                                                      
CONECT   19   10                                                      
CONECT   20   11                                                      
CONECT   21   12                                                      
CONECT   22   14                                                      
CONECT   23   15                                                      
CONECT   24   16                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END
