PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 15792457-11 2005 Our electronic structure calculations can rationalize the different coordination of the thiocyanate groups in compounds 1 and 2: the simultaneous formation of two Pb-SCN bonds is more favorable for S-Pb-S angles close to 180 degrees , for which the overlap between the occupied 3p z orbitals of the S atoms and the unoccupied 6 pz AO of the Pb atom is maximized. thiocyanate 88-99 surfactant protein B Homo sapiens 198-202