PSF CHEQ EXT XPLOR 1 !NTITLE 13 !NATOM 1 SYS 1 MOL C1 CALTU -0.165900 12.0100 2 SYS 1 MOL C2 CALTU -0.094000 12.0100 3 SYS 1 MOL C3 CALTU -0.185200 12.0100 4 SYS 1 MOL C4 CALTU 0.123000 12.0100 5 SYS 1 MOL C5 CALTU -0.185200 12.0100 6 SYS 1 MOL C6 CALTU -0.094000 12.0100 7 SYS 1 MOL O1 OHLTU -0.498900 16.0000 8 SYS 1 MOL H1 HALTU 0.132400 1.0080 9 SYS 1 MOL H2 HALTU 0.133700 1.0080 10 SYS 1 MOL H3 HALTU 0.140900 1.0080 11 SYS 1 MOL H4 HALTU 0.140900 1.0080 12 SYS 1 MOL H5 HALTU 0.133700 1.0080 13 SYS 1 MOL H6 HOLTU 0.418600 1.0080 13 !NBOND: bonds 1 6 1 2 2 3 3 4 4 5 4 7 5 6 1 8 2 9 3 10 5 11 6 12 7 13 19 !NTHETA: angles 1 6 5 1 2 3 2 1 6 2 3 4 3 4 5 3 4 7 4 5 6 5 4 7 1 6 12 1 2 9 2 1 8 2 3 10 3 2 9 4 3 10 4 5 11 4 7 13 5 6 12 6 1 8 6 5 11 26 !NPHI: dihedrals 1 6 5 4 1 2 3 4 2 1 6 5 2 3 4 5 2 3 4 7 6 1 2 3 3 4 5 6 6 5 4 7 1 6 5 11 1 2 3 10 2 1 6 12 8 1 2 3 3 4 5 11 3 4 7 13 4 3 2 9 4 5 6 12 5 4 3 10 5 4 7 13 8 1 6 5 6 1 2 9 7 4 3 10 7 4 5 11 8 1 6 12 8 1 2 9 9 2 3 10 11 5 6 12 6 !NIMPHI: impropers 3 5 4 7 8 1 6 2 1 3 2 9 2 4 3 10 4 6 5 11 1 5 6 12 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