PSF CHEQ EXT XPLOR 1 !NTITLE 14 !NATOM 1 SYS 1 MOL C1 C3LTU -0.092300 12.0100 2 SYS 1 MOL C2 C3LTU -0.080700 12.0100 3 SYS 1 MOL C3 C3LTU -0.076600 12.0100 4 SYS 1 MOL C4 C3LTU 0.070400 12.0100 5 SYS 1 MOL I1 ILTU -0.254900 126.9000 6 SYS 1 MOL H1 HCLTU 0.035600 1.0080 7 SYS 1 MOL H2 HCLTU 0.035600 1.0080 8 SYS 1 MOL H3 HCLTU 0.035600 1.0080 9 SYS 1 MOL H4 HCLTU 0.039900 1.0080 10 SYS 1 MOL H5 HCLTU 0.039900 1.0080 11 SYS 1 MOL H6 HCLTU 0.052800 1.0080 12 SYS 1 MOL H7 HCLTU 0.052800 1.0080 13 SYS 1 MOL H8 H1LTU 0.071000 1.0080 14 SYS 1 MOL H9 H1LTU 0.071000 1.0080 13 !NBOND: bonds 1 2 2 3 3 4 4 5 1 6 1 7 1 8 2 9 2 10 3 11 3 12 4 13 4 14 24 !NTHETA: angles 1 2 3 2 3 4 3 4 5 1 2 9 1 2 10 2 1 6 2 1 7 2 1 8 2 3 11 2 3 12 3 2 9 3 2 10 3 4 13 3 4 14 4 3 11 4 3 12 5 4 13 5 4 14 6 1 7 6 1 8 7 1 8 9 2 10 11 3 12 13 4 14 27 !NPHI: dihedrals 1 2 3 4 2 3 4 5 1 2 3 11 1 2 3 12 2 3 4 13 2 3 4 14 6 1 2 3 7 1 2 3 8 1 2 3 4 3 2 9 4 3 2 10 5 4 3 11 5 4 3 12 6 1 2 9 6 1 2 10 7 1 2 9 7 1 2 10 8 1 2 9 8 1 2 10 9 2 3 11 9 2 3 12 10 2 3 11 10 2 3 12 11 3 4 13 11 3 4 14 12 3 4 13 12 3 4 14 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms