PSF CHEQ EXT XPLOR 1 !NTITLE 16 !NATOM 1 SYS 1 MOL C1 C3LTU -0.060800 12.0100 2 SYS 1 MOL C2 CELTU -0.075900 12.0100 3 SYS 1 MOL C3 C2LTU -0.218900 12.0100 4 SYS 1 MOL C4 CELTU -0.075900 12.0100 5 SYS 1 MOL C5 C2LTU -0.218900 12.0100 6 SYS 1 MOL C6 C3LTU -0.060800 12.0100 7 SYS 1 MOL H1 HCLTU 0.042700 1.0080 8 SYS 1 MOL H2 HCLTU 0.042700 1.0080 9 SYS 1 MOL H3 HCLTU 0.042700 1.0080 10 SYS 1 MOL H4 HALTU 0.113800 1.0080 11 SYS 1 MOL H5 HALTU 0.113800 1.0080 12 SYS 1 MOL H6 HALTU 0.113800 1.0080 13 SYS 1 MOL H7 HALTU 0.113800 1.0080 14 SYS 1 MOL H8 HCLTU 0.042700 1.0080 15 SYS 1 MOL H9 HCLTU 0.042700 1.0080 16 SYS 1 MOL H10 HCLTU 0.042700 1.0080 15 !NBOND: bonds 1 2 2 3 2 4 4 5 4 6 1 7 1 8 1 9 3 10 3 11 5 12 5 13 6 14 6 15 6 16 24 !NTHETA: angles 1 2 3 1 2 4 2 4 5 2 4 6 3 2 4 5 4 6 2 1 7 2 1 8 2 1 9 2 3 10 2 3 11 4 5 12 4 5 13 4 6 14 4 6 15 4 6 16 7 1 8 7 1 9 8 1 9 10 3 11 12 5 13 14 6 15 14 6 16 15 6 16 24 !NPHI: dihedrals 1 2 4 5 1 2 4 6 3 2 4 5 3 2 4 6 1 2 3 10 1 2 3 11 2 4 5 12 2 4 5 13 2 4 6 14 2 4 6 15 2 4 6 16 7 1 2 3 8 1 2 3 9 1 2 3 7 1 2 4 8 1 2 4 9 1 2 4 4 2 3 10 4 2 3 11 5 4 6 14 5 4 6 15 5 4 6 16 6 4 5 12 6 4 5 13 4 !NIMPHI: impropers 3 1 2 4 5 6 4 2 2 10 3 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 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 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms