PSF CHEQ EXT XPLOR 1 !NTITLE 12 !NATOM 1 SYS 1 MOL C1 C3LTU -0.111100 12.0100 2 SYS 1 MOL C2 C3LTU 0.138300 12.0100 3 SYS 1 MOL C3 C3LTU -0.111100 12.0100 4 SYS 1 MOL O1 OHLTU -0.601600 16.0000 5 SYS 1 MOL H1 HCLTU 0.043300 1.0080 6 SYS 1 MOL H2 HCLTU 0.043300 1.0080 7 SYS 1 MOL H3 HCLTU 0.043300 1.0080 8 SYS 1 MOL H4 H1LTU 0.028400 1.0080 9 SYS 1 MOL H5 HCLTU 0.043300 1.0080 10 SYS 1 MOL H6 HCLTU 0.043300 1.0080 11 SYS 1 MOL H7 HCLTU 0.043300 1.0080 12 SYS 1 MOL H8 HOLTU 0.397100 1.0080 11 !NBOND: bonds 1 2 2 3 2 4 1 5 1 6 1 7 2 8 3 9 3 10 3 11 4 12 19 !NTHETA: angles 1 2 3 1 2 4 3 2 4 1 2 8 2 1 5 2 1 6 2 1 7 2 3 9 2 3 10 2 3 11 2 4 12 3 2 8 4 2 8 5 1 6 5 1 7 6 1 7 9 3 10 9 3 11 10 3 11 21 !NPHI: dihedrals 1 2 3 9 1 2 3 10 1 2 3 11 1 2 4 12 5 1 2 3 6 1 2 3 7 1 2 3 3 2 4 12 5 1 2 4 6 1 2 4 7 1 2 4 4 2 3 9 4 2 3 10 4 2 3 11 5 1 2 8 6 1 2 8 7 1 2 8 8 2 3 9 8 2 3 10 8 2 3 11 8 2 4 12 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 0 0 0 0 0 0 0 1 0 !NGRP NST2 0 1 0 1 !MOLNT 1 1 1 1 1 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms