1. Department of Chemistry, University of California, Berkeley, Berkeley, California 94720, United States
2. Cherry L. Emerson Center for Scientific Computation, and Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States
3. Structure Elucidation Group, Department of Analytical Research & Development, Merck & Company Inc., 33 Avenue Louis Pasteur, Boston, Massachusetts 02115, United States
4. Department of Process Research & Development, Merck & Company Inc., 90 E. Scott Avenue, Rahway, New Jersey 07065, United States
5. Disruptive Chemistry Fellow, Department of Discovery Chemistry, Merck & Company Inc., 33 Avenue Louis Pasteur, Boston, Massachusetts 02115, United States