PSF CHEQ EXT XPLOR 1 !NTITLE 20 !NATOM 1 SYS 1 MOL C1 C3LTU 0.130300 12.0100 2 SYS 1 MOL O1 OSLTU -0.439700 16.0000 3 SYS 1 MOL C2 C3LTU 0.521500 12.0100 4 SYS 1 MOL C3 C3LTU 0.006800 12.0100 5 SYS 1 MOL Cl1 CLLTU -0.144400 35.4500 6 SYS 1 MOL O2 OSLTU -0.439700 16.0000 7 SYS 1 MOL C4 C3LTU 0.130300 12.0100 8 SYS 1 MOL O3 OSLTU -0.439700 16.0000 9 SYS 1 MOL C5 C3LTU 0.130300 12.0100 10 SYS 1 MOL H1 H1LTU 0.042500 1.0080 11 SYS 1 MOL H2 H1LTU 0.042500 1.0080 12 SYS 1 MOL H3 H1LTU 0.042500 1.0080 13 SYS 1 MOL H4 H1LTU 0.080800 1.0080 14 SYS 1 MOL H5 H1LTU 0.080800 1.0080 15 SYS 1 MOL H6 H1LTU 0.042500 1.0080 16 SYS 1 MOL H7 H1LTU 0.042500 1.0080 17 SYS 1 MOL H8 H1LTU 0.042500 1.0080 18 SYS 1 MOL H9 H1LTU 0.042500 1.0080 19 SYS 1 MOL H10 H1LTU 0.042500 1.0080 20 SYS 1 MOL H11 H1LTU 0.042500 1.0080 19 !NBOND: bonds 1 2 2 3 3 4 3 6 3 8 4 5 6 7 8 9 1 10 1 11 1 12 4 13 4 14 7 15 7 16 7 17 9 18 9 19 9 20 33 !NTHETA: angles 1 2 3 2 3 4 2 3 6 2 3 8 3 4 5 3 6 7 3 8 9 4 3 6 4 3 8 6 3 8 2 1 10 2 1 11 2 1 12 3 4 13 3 4 14 5 4 13 5 4 14 6 7 15 6 7 16 6 7 17 8 9 18 8 9 19 8 9 20 10 1 11 10 1 12 11 1 12 13 4 14 15 7 16 15 7 17 16 7 17 18 9 19 18 9 20 19 9 20 27 !NPHI: dihedrals 1 2 3 4 1 2 3 6 1 2 3 8 2 3 4 5 2 3 6 7 2 3 8 9 4 3 6 7 4 3 8 9 5 4 3 6 5 4 3 8 6 3 8 9 7 6 3 8 2 3 4 13 2 3 4 14 10 1 2 3 11 1 2 3 12 1 2 3 3 6 7 15 3 6 7 16 3 6 7 17 3 8 9 18 3 8 9 19 3 8 9 20 6 3 4 13 6 3 4 14 8 3 4 13 8 3 4 14 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 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 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms