PSF CHEQ EXT XPLOR 1 !NTITLE 11 !NATOM 1 SYS 1 MOL C1 C3LTU 0.127400 12.0100 2 SYS 1 MOL O1 OSLTU -0.447300 16.0000 3 SYS 1 MOL C2 CLTU 0.620700 12.0100 4 SYS 1 MOL O2 OLTU -0.506900 16.0000 5 SYS 1 MOL C3 C3LTU -0.029300 12.0100 6 SYS 1 MOL Cl1 CLLTU -0.128800 35.4500 7 SYS 1 MOL H1 H1LTU 0.053600 1.0080 8 SYS 1 MOL H2 H1LTU 0.053600 1.0080 9 SYS 1 MOL H3 H1LTU 0.053600 1.0080 10 SYS 1 MOL H4 H1LTU 0.101600 1.0080 11 SYS 1 MOL H5 H1LTU 0.101600 1.0080 10 !NBOND: bonds 1 2 2 3 3 4 3 5 5 6 1 7 1 8 1 9 5 10 5 11 16 !NTHETA: angles 1 2 3 2 3 4 2 3 5 3 5 6 4 3 5 2 1 7 2 1 8 2 1 9 3 5 10 3 5 11 6 5 10 6 5 11 7 1 8 7 1 9 8 1 9 10 5 11 11 !NPHI: dihedrals 1 2 3 4 1 2 3 5 2 3 5 6 4 3 5 6 2 3 5 10 2 3 5 11 7 1 2 3 8 1 2 3 9 1 2 3 4 3 5 10 4 3 5 11 1 !NIMPHI: impropers 5 4 3 2 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms