COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.522   4.683   0.443  1.00  0.00           C  
HETATM    2  O   UNL     1       0.171   3.463   0.171  1.00  0.00           O  
HETATM    3  N   UNL     1      -0.808   2.441   0.111  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.452   1.211  -0.126  1.00  0.00           C  
HETATM    5  C   UNL     1       0.956   0.900  -0.470  1.00  0.00           C  
HETATM    6  O   UNL     1       1.802   1.770  -0.410  1.00  0.00           O  
HETATM    7  N   UNL     1       1.298  -0.347  -0.849  1.00  0.00           N  
HETATM    8  C   UNL     1       2.706  -0.685  -1.072  1.00  0.00           C  
HETATM    9  B   UNL     1       3.304  -1.321   0.233  1.00  0.00           B  
HETATM   10  O   UNL     1       2.487  -1.483   1.383  1.00  0.00           O  
HETATM   11  O   UNL     1       4.663  -1.733   0.264  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.452   0.124  -0.053  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.784   0.415   0.069  1.00  0.00           C  
HETATM   14  S   UNL     1      -3.483  -1.230   0.107  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.948  -2.132  -0.042  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.737  -3.500  -0.082  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.068  -1.150  -0.111  1.00  0.00           N  
HETATM   18  H   UNL     1      -1.239   4.880  -0.355  1.00  0.00           H  
HETATM   19  H   UNL     1      -1.050   4.597   1.392  1.00  0.00           H  
HETATM   20  H   UNL     1       0.194   5.503   0.498  1.00  0.00           H  
HETATM   21  H   UNL     1       0.612  -1.021  -0.974  1.00  0.00           H  
HETATM   22  H   UNL     1       2.783  -1.399  -1.892  1.00  0.00           H  
HETATM   23  H   UNL     1       3.261   0.219  -1.323  1.00  0.00           H  
HETATM   24  H   UNL     1       1.611  -1.144   1.154  1.00  0.00           H  
HETATM   25  H   UNL     1       4.826  -2.092   1.146  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.277   1.375   0.128  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.490  -4.108  -0.024  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.836  -3.850  -0.167  1.00  0.00           H  
CONECT    1    2   18   19   20                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   12                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   21                                            
CONECT    8    7    9   22   23                                       
CONECT    9    8   10   11                                            
CONECT   10    9   24                                                 
CONECT   11    9   25                                                 
CONECT   12    4   13   13   17                                       
CONECT   13   12   12   14   26                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   17   17                                       
CONECT   16   15   27   28                                            
CONECT   17   12   15   15                                            
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   13                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
