PSF CHEQ EXT XPLOR 1 !NTITLE 4 !NATOM 1 SYS 1 MOL N1 N3LTU -1.010000 14.0100 2 SYS 1 MOL H1 HNLTU 0.336700 1.0080 3 SYS 1 MOL H2 HNLTU 0.336700 1.0080 4 SYS 1 MOL H3 HNLTU 0.336700 1.0080 3 !NBOND: bonds 1 2 1 3 1 4 3 !NTHETA: angles 2 1 3 2 1 4 3 1 4 0 !NPHI: dihedrals 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 1 0 !NGRP NST2 0 1 0 1 !MOLNT 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms