PSF CHEQ EXT XPLOR 1 !NTITLE 17 !NATOM 1 SYS 1 MOL C1 C3LTU 0.123900 12.0100 2 SYS 1 MOL O1 OSLTU -0.438300 16.0000 3 SYS 1 MOL C2 C3LTU 0.499900 12.0100 4 SYS 1 MOL O2 OSLTU -0.438300 16.0000 5 SYS 1 MOL C3 C3LTU 0.123900 12.0100 6 SYS 1 MOL O3 OSLTU -0.438300 16.0000 7 SYS 1 MOL C4 C3LTU 0.123900 12.0100 8 SYS 1 MOL H1 H1LTU 0.040100 1.0080 9 SYS 1 MOL H2 H1LTU 0.040100 1.0080 10 SYS 1 MOL H3 H1LTU 0.040100 1.0080 11 SYS 1 MOL H4 H3LTU 0.082700 1.0080 12 SYS 1 MOL H5 H1LTU 0.040100 1.0080 13 SYS 1 MOL H6 H1LTU 0.040100 1.0080 14 SYS 1 MOL H7 H1LTU 0.040100 1.0080 15 SYS 1 MOL H8 H1LTU 0.040100 1.0080 16 SYS 1 MOL H9 H1LTU 0.040100 1.0080 17 SYS 1 MOL H10 H1LTU 0.040100 1.0080 16 !NBOND: bonds 1 2 2 3 3 4 3 6 4 5 6 7 1 8 1 9 1 10 3 11 5 12 5 13 5 14 7 15 7 16 7 17 27 !NTHETA: angles 1 2 3 2 3 4 2 3 6 3 4 5 3 6 7 4 3 6 2 1 8 2 1 9 2 1 10 2 3 11 4 3 11 4 5 12 4 5 13 4 5 14 6 3 11 6 7 15 6 7 16 6 7 17 8 1 9 8 1 10 9 1 10 12 5 13 12 5 14 13 5 14 15 7 16 15 7 17 16 7 17 18 !NPHI: dihedrals 1 2 3 4 1 2 3 6 2 3 4 5 2 3 6 7 4 3 6 7 5 4 3 6 1 2 3 11 8 1 2 3 9 1 2 3 10 1 2 3 3 4 5 12 3 4 5 13 3 4 5 14 3 6 7 15 3 6 7 16 3 6 7 17 5 4 3 11 7 6 3 11 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