PSF CHEQ EXT XPLOR 1 !NTITLE 12 !NATOM 1 SYS 1 MOL C1 CCLTU 0.091100 12.0100 2 SYS 1 MOL C2 CDLTU -0.191400 12.0100 3 SYS 1 MOL C3 CLTU 0.726100 12.0100 4 SYS 1 MOL O1 OLTU -0.585700 16.0000 5 SYS 1 MOL N1 NLTU -0.584200 14.0100 6 SYS 1 MOL C4 CLTU 0.803700 12.0100 7 SYS 1 MOL O2 OLTU -0.625800 16.0000 8 SYS 1 MOL N2 NLTU -0.465700 14.0100 9 SYS 1 MOL I1 ILTU -0.056000 126.9000 10 SYS 1 MOL H1 H4LTU 0.170200 1.0080 11 SYS 1 MOL H2 HNLTU 0.358300 1.0080 12 SYS 1 MOL H3 HNLTU 0.359500 1.0080 12 !NBOND: bonds 1 8 1 2 2 3 2 9 3 4 3 5 5 6 6 7 6 8 1 10 5 11 8 12 18 !NTHETA: angles 1 8 6 1 2 3 1 2 9 2 1 8 2 3 4 2 3 5 3 2 9 3 5 6 4 3 5 5 6 7 5 6 8 7 6 8 1 8 12 2 1 10 3 5 11 6 5 11 6 8 12 8 1 10 24 !NPHI: dihedrals 1 8 6 5 1 8 6 7 1 2 3 4 1 2 3 5 2 1 8 6 2 3 5 6 8 1 2 3 3 5 6 7 3 5 6 8 4 3 2 9 4 3 5 6 5 3 2 9 8 1 2 9 2 1 8 12 2 3 5 11 10 1 2 3 4 3 5 11 5 6 8 12 10 1 8 6 7 6 5 11 7 6 8 12 8 6 5 11 10 1 2 9 10 1 8 12 6 !NIMPHI: impropers 3 1 2 9 2 5 3 4 5 8 6 7 8 1 10 2 3 6 5 11 6 1 8 12 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms