PSF CHEQ EXT XPLOR 1 !NTITLE 15 !NATOM 1 SYS 1 MOL C1 CCLTU 0.117900 12.0100 2 SYS 1 MOL C2 CDLTU -0.367400 12.0100 3 SYS 1 MOL C3 CLTU 0.732100 12.0100 4 SYS 1 MOL O1 OLTU -0.575200 16.0000 5 SYS 1 MOL N1 NLTU -0.584300 14.0100 6 SYS 1 MOL C4 CLTU 0.805000 12.0100 7 SYS 1 MOL O2 OLTU -0.612900 16.0000 8 SYS 1 MOL N2 NLTU -0.459500 14.0100 9 SYS 1 MOL C5 C3LTU 0.725100 12.0100 10 SYS 1 MOL F1 FLTU -0.229200 19.0000 11 SYS 1 MOL F2 FLTU -0.229200 19.0000 12 SYS 1 MOL F3 FLTU -0.229200 19.0000 13 SYS 1 MOL H1 H4LTU 0.179400 1.0080 14 SYS 1 MOL H2 HNLTU 0.362200 1.0080 15 SYS 1 MOL H3 HNLTU 0.365300 1.0080 15 !NBOND: bonds 1 8 1 2 2 3 2 9 3 4 3 5 5 6 6 7 6 8 9 10 9 11 9 12 1 13 5 14 8 15 24 !NTHETA: angles 1 8 6 1 2 3 1 2 9 2 1 8 2 3 4 2 3 5 2 9 10 2 9 11 2 9 12 3 2 9 3 5 6 4 3 5 5 6 7 5 6 8 7 6 8 10 9 11 10 9 12 11 9 12 1 8 15 2 1 13 3 5 14 6 5 14 6 8 15 8 1 13 30 !NPHI: dihedrals 1 8 6 5 1 8 6 7 1 2 3 4 1 2 3 5 1 2 9 10 1 2 9 11 1 2 9 12 2 1 8 6 2 3 5 6 8 1 2 3 3 2 9 10 3 2 9 11 3 2 9 12 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 15 2 3 5 14 13 1 2 3 4 3 5 14 5 6 8 15 13 1 8 6 7 6 5 14 7 6 8 15 8 6 5 14 13 1 2 9 13 1 8 15 6 !NIMPHI: impropers 1 2 9 3 2 5 3 4 5 8 6 7 8 1 13 2 3 6 5 14 6 1 8 15 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms