1. Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, Wright-Rieman Laboratories, 610 Taylor Road, Piscataway, New Jersey 08854-8087, and Quantum Bioinformatics Group, Center for Promotion of Computational Science and Engineering, Japan Atomic Energy Research Institute, 8-1 Umemidai, Kizu, Kyoto 619-0215, Japan