RESIDUE   P3K     15
CONECT      C4     3 C5   C3   H1  
CONECT      C5     3 C4   C6   H2  
CONECT      C6     3 C5   C7   O1  
CONECT      C7     3 C6   C2   O2  
CONECT      N1     1 C1  
CONECT      C3     3 C4   C2   H3  
CONECT      C1     2 N1   C2  
CONECT      C2     3 C7   C3   C1  
CONECT      O1     2 C6   H4  
CONECT      O2     2 C7   H5  
CONECT      H1     1 C4  
CONECT      H2     1 C5  
CONECT      H3     1 C3  
CONECT      H4     1 O1  
CONECT      H5     1 O2  
END   
HET    P3K             15
HETNAM     P3K 2,3-bis(oxidanyl)benzenecarbonitrile
FORMUL      P3K    C7 H5 N1 O2