PSF CHEQ EXT XPLOR 1 !NTITLE 5 !NATOM 1 SYS 1 MOL C1 C3LTU 0.036100 12.0100 2 SYS 1 MOL I1 ILTU -0.243500 126.9000 3 SYS 1 MOL H1 H1LTU 0.069100 1.0080 4 SYS 1 MOL H2 H1LTU 0.069100 1.0080 5 SYS 1 MOL H3 H1LTU 0.069100 1.0080 4 !NBOND: bonds 1 2 1 3 1 4 1 5 6 !NTHETA: angles 2 1 3 2 1 4 2 1 5 3 1 4 3 1 5 4 1 5 0 !NPHI: dihedrals 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 1 0 !NGRP NST2 0 1 0 1 !MOLNT 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms