COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       3.863   2.042  -0.022  1.00  0.00           B  
HETATM    2  O   UNL     1       5.276   2.030   0.122  1.00  0.00           O  
HETATM    3  O   UNL     1       3.231   3.093  -0.738  1.00  0.00           O  
HETATM    4  C   UNL     1       3.000   0.890   0.605  1.00  0.00           C  
HETATM    5  N   UNL     1       2.947  -0.241  -0.324  1.00  0.00           N  
HETATM    6  S   UNL     1       2.006  -1.558   0.027  1.00  0.00           S  
HETATM    7  O   UNL     1       2.141  -2.451  -1.070  1.00  0.00           O  
HETATM    8  O   UNL     1       2.308  -1.921   1.367  1.00  0.00           O  
HETATM    9  C   UNL     1       0.329  -1.016   0.024  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.244  -0.545   1.191  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.555  -0.114   1.195  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.302  -0.155   0.018  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.709   0.306   0.014  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.550   0.318  -1.049  1.00  0.00           N  
HETATM   15  N   UNL     1      -5.762   0.831  -0.554  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.580   1.079   0.697  1.00  0.00           N  
HETATM   17  N   UNL     1      -4.381   0.776   1.043  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.718  -0.631  -1.156  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.407  -1.059  -1.146  1.00  0.00           C  
HETATM   20  H   UNL     1       5.721   2.777  -0.301  1.00  0.00           H  
HETATM   21  H   UNL     1       2.278   2.975  -0.850  1.00  0.00           H  
HETATM   22  H   UNL     1       3.451   0.568   1.544  1.00  0.00           H  
HETATM   23  H   UNL     1       0.336  -0.513   2.102  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.002   0.253   2.107  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.358   0.033  -1.956  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.292  -0.666  -2.071  1.00  0.00           H  
HETATM   27  H   UNL     1       0.048  -1.424  -2.056  1.00  0.00           H  
HETATM   28  H   UNL     1       1.990   1.254   0.793  1.00  0.00           H  
HETATM   29  H   UNL     1       3.463  -0.219  -1.146  1.00  0.00           H  
CONECT    1    3    2    4                                            
CONECT    2    1   20                                                 
CONECT    3    1   21                                                 
CONECT    4    5    1   22   28                                       
CONECT    5    4    6   29                                            
CONECT    6    7    7    5    8                                       
CONECT    6    8    9                                                 
CONECT    7    6    6                                                 
CONECT    8    6    6                                                 
CONECT    9   19    6   10   10                                       
CONECT   10    9    9   23   11                                       
CONECT   11   12   12   10   24                                       
CONECT   12   11   11   18   13                                       
CONECT   13   17   17   12   14                                       
CONECT   14   13   25   15                                            
CONECT   15   14   16   16                                            
CONECT   16   15   15   17                                            
CONECT   17   13   13   16                                            
CONECT   18   12   19   19   26                                       
CONECT   19    9   18   18   27                                       
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23   10                                                      
CONECT   24   11                                                      
CONECT   25   14                                                      
CONECT   26   18                                                      
CONECT   27   19                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
