PSF CHEQ EXT XPLOR 1 !NTITLE 13 !NATOM 1 SYS 1 MOL C1 C3LTU 0.114800 12.0100 2 SYS 1 MOL O1 OSLTU -0.415200 16.0000 3 SYS 1 MOL C2 C3LTU 0.117700 12.0100 4 SYS 1 MOL C3 C3LTU 0.130800 12.0100 5 SYS 1 MOL O2 OHLTU -0.596100 16.0000 6 SYS 1 MOL H1 H1LTU 0.032500 1.0080 7 SYS 1 MOL H2 H1LTU 0.032500 1.0080 8 SYS 1 MOL H3 H1LTU 0.032500 1.0080 9 SYS 1 MOL H4 H1LTU 0.037900 1.0080 10 SYS 1 MOL H5 H1LTU 0.037900 1.0080 11 SYS 1 MOL H6 H1LTU 0.036200 1.0080 12 SYS 1 MOL H7 H1LTU 0.036200 1.0080 13 SYS 1 MOL H8 HOLTU 0.402300 1.0080 12 !NBOND: bonds 1 2 2 3 3 4 4 5 1 6 1 7 1 8 3 9 3 10 4 11 4 12 5 13 20 !NTHETA: angles 1 2 3 2 3 4 3 4 5 2 1 6 2 1 7 2 1 8 2 3 9 2 3 10 3 4 11 3 4 12 4 3 9 4 3 10 4 5 13 5 4 11 5 4 12 6 1 7 6 1 8 7 1 8 9 3 10 11 4 12 18 !NPHI: dihedrals 1 2 3 4 2 3 4 5 1 2 3 9 1 2 3 10 2 3 4 11 2 3 4 12 6 1 2 3 7 1 2 3 8 1 2 3 3 4 5 13 5 4 3 9 5 4 3 10 9 3 4 11 9 3 4 12 10 3 4 11 10 3 4 12 11 4 5 13 12 4 5 13 0 !NIMPHI: impropers 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 1 0 1 !MOLNT 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms