COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.150  -0.576   0.003  1.00  0.00           C  
HETATM    2  C   UNL     1       0.524  -0.421   1.202  1.00  0.00           C  
HETATM    3  C   UNL     1       1.872  -0.128   1.206  1.00  0.00           C  
HETATM    4  C   UNL     1       2.556   0.011   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       1.873  -0.146  -1.205  1.00  0.00           C  
HETATM    6  C   UNL     1       0.525  -0.438  -1.197  1.00  0.00           C  
HETATM    7  B   UNL     1       4.090   0.345  -0.002  1.00  0.00           B  
HETATM    8  O   UNL     1       4.783   0.505   1.227  1.00  0.00           O  
HETATM    9  O   UNL     1       4.785   0.486  -1.232  1.00  0.00           O  
HETATM   10  S   UNL     1      -1.870  -0.956   0.005  1.00  0.00           S  
HETATM   11  N   UNL     1      -2.690   0.482  -0.002  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.197   1.389   1.047  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.103   2.499  -0.015  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.203   1.376  -1.059  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.144  -1.581  -1.242  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.144  -1.569   1.258  1.00  0.00           O  
HETATM   17  H   UNL     1      -0.007  -0.530   2.136  1.00  0.00           H  
HETATM   18  H   UNL     1       2.396  -0.007   2.143  1.00  0.00           H  
HETATM   19  H   UNL     1       2.398  -0.039  -2.143  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.006  -0.561  -2.130  1.00  0.00           H  
HETATM   21  H   UNL     1       5.723   0.709   1.125  1.00  0.00           H  
HETATM   22  H   UNL     1       5.724   0.692  -1.132  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.216   1.166   1.361  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.512   1.523   1.884  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.956   3.179  -0.016  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.145   3.018  -0.025  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.520   1.497  -1.900  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.224   1.151  -1.367  1.00  0.00           H  
CONECT    1    6   10    2    2                                       
CONECT    2    1    1    3   17                                       
CONECT    3    4    4    2   18                                       
CONECT    4    5    7    3    3                                       
CONECT    5    6    6    4   19                                       
CONECT    6    5    5    1   20                                       
CONECT    7    9    4    8                                            
CONECT    8    7   21                                                 
CONECT    9    7   22                                                 
CONECT   10   15   15   11    1                                       
CONECT   10   16   16                                                 
CONECT   11   12   10   14                                            
CONECT   12   13   11   23   24                                       
CONECT   13   12   14   25   26                                       
CONECT   14   13   11   27   28                                       
CONECT   15   10   10                                                 
CONECT   16   10   10                                                 
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23   12                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
