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Using Xplor–NIH for NMR molecular structure determination:

SCHWIETERS, C ; KUSZEWSKI, J ; MARIUSCLORE, G
Progress in Nuclear Magnetic Resonance Spectroscopy.  48 (2006)  1 - p. 47-62 , 2006
Link: https://doi.org/10.1016/j.pnmrs.2005.10.001