COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       3.749   2.080   0.544  1.00  0.00           B  
HETATM    2  O   UNL     1       3.136   3.178  -0.117  1.00  0.00           O  
HETATM    3  O   UNL     1       5.152   2.075   0.759  1.00  0.00           O  
HETATM    4  C   UNL     1       2.873   0.877   1.043  1.00  0.00           C  
HETATM    5  N   UNL     1       2.876  -0.182   0.030  1.00  0.00           N  
HETATM    6  S   UNL     1       1.931  -1.526   0.234  1.00  0.00           S  
HETATM    7  O   UNL     1       2.102  -2.319  -0.933  1.00  0.00           O  
HETATM    8  O   UNL     1       2.195  -2.007   1.545  1.00  0.00           O  
HETATM    9  C   UNL     1       0.252  -0.990   0.229  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.520  -1.134   1.367  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.834  -0.711   1.372  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.383  -0.137   0.225  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.791   0.319   0.224  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.452   0.892  -0.812  1.00  0.00           N  
HETATM   15  N   UNL     1      -5.748   1.144  -0.329  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.778   0.731   0.892  1.00  0.00           N  
HETATM   17  N   UNL     1      -4.640   0.241   1.227  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.599   0.007  -0.920  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.287  -0.421  -0.912  1.00  0.00           C  
HETATM   20 CL   UNL     1       0.692  -0.237  -2.334  1.00  0.00          Cl  
HETATM   21  H   UNL     1       2.192   3.058  -0.286  1.00  0.00           H  
HETATM   22  H   UNL     1       5.605   2.859   0.421  1.00  0.00           H  
HETATM   23  H   UNL     1       3.285   0.489   1.974  1.00  0.00           H  
HETATM   24  H   UNL     1       1.850   1.216   1.210  1.00  0.00           H  
HETATM   25  H   UNL     1       3.431  -0.095  -0.761  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.094  -1.578   2.255  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.436  -0.824   2.261  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.105   1.086  -1.697  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.019   0.450  -1.811  1.00  0.00           H  
CONECT    1    4    2    3                                            
CONECT    2    1   21                                                 
CONECT    3    1   22                                                 
CONECT    4    5    1   23   24                                       
CONECT    5    6    4   25                                            
CONECT    6    9    7    7    8                                       
CONECT    6    8    5                                                 
CONECT    7    6    6                                                 
CONECT    8    6    6                                                 
CONECT    9   10   10   19    6                                       
CONECT   10   11    9    9   26                                       
CONECT   11   12   12   10   27                                       
CONECT   12   13   11   11   18                                       
CONECT   13   17   17   14   12                                       
CONECT   14   15   13   28                                            
CONECT   15   16   16   14                                            
CONECT   16   17   15   15                                            
CONECT   17   16   13   13                                            
CONECT   18   12   19   19   29                                       
CONECT   19   18   18    9   20                                       
CONECT   20   19                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26   10                                                      
CONECT   27   11                                                      
CONECT   28   14                                                      
CONECT   29   18                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
