PSF CHEQ EXT XPLOR 1 !NTITLE 7 !NATOM 1 SYS 1 MOL C1 C3LTU -0.221100 12.0100 2 SYS 1 MOL C2 CLTU 0.563200 12.0100 3 SYS 1 MOL O1 OLTU -0.526800 16.0000 4 SYS 1 MOL H1 HCLTU 0.064700 1.0080 5 SYS 1 MOL H2 HCLTU 0.064700 1.0080 6 SYS 1 MOL H3 HCLTU 0.064700 1.0080 7 SYS 1 MOL H4 H4LTU -0.009400 1.0080 6 !NBOND: bonds 1 2 2 3 1 4 1 5 1 6 2 7 9 !NTHETA: angles 1 2 3 1 2 7 2 1 4 2 1 5 2 1 6 3 2 7 4 1 5 4 1 6 5 1 6 6 !NPHI: dihedrals 4 1 2 3 5 1 2 3 6 1 2 3 4 1 2 7 5 1 2 7 6 1 2 7 1 !NIMPHI: impropers 1 7 2 3 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 0 0 1 0 !NGRP NST2 0 1 0 1 !MOLNT 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms