PSF CHEQ EXT XPLOR 1 !NTITLE 13 !NATOM 1 SYS 1 MOL C1 C3LTU -0.061900 12.0100 2 SYS 1 MOL C2 CELTU -0.080200 12.0100 3 SYS 1 MOL C3 C2LTU -0.215200 12.0100 4 SYS 1 MOL C4 CELTU -0.128800 12.0100 5 SYS 1 MOL C5 C2LTU -0.211100 12.0100 6 SYS 1 MOL H1 HCLTU 0.042800 1.0080 7 SYS 1 MOL H2 HCLTU 0.042800 1.0080 8 SYS 1 MOL H3 HCLTU 0.042800 1.0080 9 SYS 1 MOL H4 HALTU 0.113000 1.0080 10 SYS 1 MOL H5 HALTU 0.113000 1.0080 11 SYS 1 MOL H6 HALTU 0.118200 1.0080 12 SYS 1 MOL H7 HALTU 0.112400 1.0080 13 SYS 1 MOL H8 HALTU 0.112400 1.0080 12 !NBOND: bonds 1 2 2 3 2 4 4 5 1 6 1 7 1 8 3 9 3 10 4 11 5 12 5 13 18 !NTHETA: angles 1 2 3 1 2 4 2 4 5 3 2 4 2 1 6 2 1 7 2 1 8 2 3 9 2 3 10 2 4 11 4 5 12 4 5 13 5 4 11 6 1 7 6 1 8 7 1 8 9 3 10 12 5 13 18 !NPHI: dihedrals 1 2 4 5 3 2 4 5 1 2 3 9 1 2 3 10 1 2 4 11 2 4 5 12 2 4 5 13 6 1 2 3 7 1 2 3 8 1 2 3 3 2 4 11 6 1 2 4 7 1 2 4 8 1 2 4 4 2 3 9 4 2 3 10 11 4 5 12 11 4 5 13 4 !NIMPHI: impropers 3 1 2 4 2 9 3 10 5 2 4 11 4 12 5 13 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 !NGRP NST2 0 2 0 1 !MOLNT 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms