PSF CHEQ EXT XPLOR 1 !NTITLE 13 !NATOM 1 SYS 1 MOL C1 CALTU -0.178400 12.0100 2 SYS 1 MOL C2 CALTU -0.087400 12.0100 3 SYS 1 MOL C3 CALTU -0.019900 12.0100 4 SYS 1 MOL C4 CALTU -0.087400 12.0100 5 SYS 1 MOL C5 CALTU -0.178400 12.0100 6 SYS 1 MOL C6 CALTU 0.126300 12.0100 7 SYS 1 MOL O1 OHLTU -0.493600 16.0000 8 SYS 1 MOL Cl1 CLLTU -0.094900 35.4500 9 SYS 1 MOL H1 HALTU 0.146700 1.0080 10 SYS 1 MOL H2 HALTU 0.149300 1.0080 11 SYS 1 MOL H3 HALTU 0.149300 1.0080 12 SYS 1 MOL H4 HALTU 0.146700 1.0080 13 SYS 1 MOL H5 HOLTU 0.421500 1.0080 13 !NBOND: bonds 1 6 1 2 2 3 3 4 3 8 4 5 5 6 6 7 1 9 2 10 4 11 5 12 7 13 19 !NTHETA: angles 1 6 5 1 6 7 1 2 3 2 1 6 2 3 4 2 3 8 3 4 5 4 3 8 4 5 6 5 6 7 1 2 10 2 1 9 3 2 10 3 4 11 4 5 12 5 4 11 6 1 9 6 5 12 6 7 13 26 !NPHI: dihedrals 1 6 5 4 1 2 3 4 1 2 3 8 2 1 6 5 2 1 6 7 2 3 4 5 6 1 2 3 3 4 5 6 4 5 6 7 5 4 3 8 1 6 5 12 1 6 7 13 2 3 4 11 9 1 2 3 3 4 5 12 4 3 2 10 9 1 6 5 5 6 7 13 6 1 2 10 6 5 4 11 9 1 6 7 7 6 5 12 8 3 2 10 8 3 4 11 9 1 2 10 11 4 5 12 6 !NIMPHI: impropers 2 4 3 8 1 5 6 7 9 1 6 2 1 3 2 10 3 5 4 11 4 6 5 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