RESIDUE   A1EKS     19
CONECT      B01    3 C04  O01  O02 
CONECT      C01    4 C02  H1   H2   BR1 
CONECT      C02    3 C01  C03  C07 
CONECT      C03    3 C02  C04  H4  
CONECT      C04    3 B01  C03  C05 
CONECT      C05    3 C04  C06  H5  
CONECT      C06    3 C05  C07  H6  
CONECT      C07    3 C02  C06  H7  
CONECT      O01    2 B01  H8  
CONECT      O02    2 B01  H9  
CONECT      H1     1 C01 
CONECT      H2     1 C01 
CONECT      H4     1 C03 
CONECT      H5     1 C05 
CONECT      H6     1 C06 
CONECT      H7     1 C07 
CONECT      H8     1 O01 
CONECT      H9     1 O02 
CONECT      BR1    1 C01 
END   
HET    A1EKS             19
HETNAM     A1EKS [3-(bromomethyl)phenyl]boronic acid
FORMUL      A1EKS    C7 H8 B Br O2