PSF CHEQ EXT XPLOR 1 !NTITLE 17 !NATOM 1 SYS 1 MOL C1 C3LTU -0.091900 12.0100 2 SYS 1 MOL C2 C3LTU -0.079700 12.0100 3 SYS 1 MOL C3 C3LTU -0.080800 12.0100 4 SYS 1 MOL C4 C3LTU -0.075700 12.0100 5 SYS 1 MOL C5 C3LTU 0.068200 12.0100 6 SYS 1 MOL I1 ILTU -0.254000 126.9000 7 SYS 1 MOL H1 HCLTU 0.034000 1.0080 8 SYS 1 MOL H2 HCLTU 0.034000 1.0080 9 SYS 1 MOL H3 HCLTU 0.034000 1.0080 10 SYS 1 MOL H4 HCLTU 0.039800 1.0080 11 SYS 1 MOL H5 HCLTU 0.039800 1.0080 12 SYS 1 MOL H6 HCLTU 0.041300 1.0080 13 SYS 1 MOL H7 HCLTU 0.041300 1.0080 14 SYS 1 MOL H8 HCLTU 0.053700 1.0080 15 SYS 1 MOL H9 HCLTU 0.053700 1.0080 16 SYS 1 MOL H10 H1LTU 0.071300 1.0080 17 SYS 1 MOL H11 H1LTU 0.071300 1.0080 16 !NBOND: bonds 1 2 2 3 3 4 4 5 5 6 1 7 1 8 1 9 2 10 2 11 3 12 3 13 4 14 4 15 5 16 5 17 30 !NTHETA: angles 1 2 3 2 3 4 3 4 5 4 5 6 1 2 10 1 2 11 2 1 7 2 1 8 2 1 9 2 3 12 2 3 13 3 2 10 3 2 11 3 4 14 3 4 15 4 3 12 4 3 13 4 5 16 4 5 17 5 4 14 5 4 15 6 5 16 6 5 17 7 1 8 7 1 9 8 1 9 10 2 11 12 3 13 14 4 15 16 5 17 36 !NPHI: dihedrals 1 2 3 4 2 3 4 5 3 4 5 6 1 2 3 12 1 2 3 13 2 3 4 14 2 3 4 15 7 1 2 3 8 1 2 3 9 1 2 3 3 4 5 16 3 4 5 17 4 3 2 10 4 3 2 11 5 4 3 12 5 4 3 13 6 5 4 14 6 5 4 15 7 1 2 10 7 1 2 11 8 1 2 10 8 1 2 11 9 1 2 10 9 1 2 11 10 2 3 12 10 2 3 13 11 2 3 12 11 2 3 13 12 3 4 14 12 3 4 15 13 3 4 14 13 3 4 15 14 4 5 16 14 4 5 17 15 4 5 16 15 4 5 17 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 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 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms