PSF CHEQ EXT XPLOR 1 !NTITLE 14 !NATOM 1 SYS 1 MOL C1 C3LTU 0.113400 12.0100 2 SYS 1 MOL C2 C3LTU 0.139800 12.0100 3 SYS 1 MOL C3 C3LTU 0.113400 12.0100 4 SYS 1 MOL O1 OHLTU -0.596200 16.0000 5 SYS 1 MOL O2 OHLTU -0.590400 16.0000 6 SYS 1 MOL O3 OHLTU -0.596200 16.0000 7 SYS 1 MOL H1 H1LTU 0.032100 1.0080 8 SYS 1 MOL H2 H1LTU 0.032100 1.0080 9 SYS 1 MOL H3 H1LTU 0.063200 1.0080 10 SYS 1 MOL H4 H1LTU 0.032100 1.0080 11 SYS 1 MOL H5 H1LTU 0.032100 1.0080 12 SYS 1 MOL H6 HOLTU 0.404800 1.0080 13 SYS 1 MOL H7 HOLTU 0.415100 1.0080 14 SYS 1 MOL H8 HOLTU 0.404800 1.0080 13 !NBOND: bonds 1 2 1 6 2 3 2 5 3 4 1 7 1 8 2 9 3 10 3 11 4 12 5 13 6 14 21 !NTHETA: angles 1 2 3 1 2 5 2 1 6 2 3 4 3 2 5 1 2 9 1 6 14 2 1 7 2 1 8 2 3 10 2 3 11 2 5 13 3 2 9 3 4 12 4 3 10 4 3 11 5 2 9 6 1 7 6 1 8 7 1 8 10 3 11 27 !NPHI: dihedrals 1 2 3 4 6 1 2 3 4 3 2 5 6 1 2 5 1 2 3 10 1 2 3 11 1 2 5 13 2 1 6 14 2 3 4 12 7 1 2 3 8 1 2 3 3 2 5 13 4 3 2 9 7 1 2 5 8 1 2 5 5 2 3 10 5 2 3 11 6 1 2 9 7 1 2 9 7 1 6 14 8 1 2 9 8 1 6 14 9 2 3 10 9 2 3 11 9 2 5 13 10 3 4 12 11 3 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 0 0 1 0 !NGRP NST2 0 1 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