PSF CHEQ EXT XPLOR 1 !NTITLE 18 !NATOM 1 SYS 1 MOL C1 CALTU -0.105100 12.0100 2 SYS 1 MOL C2 CALTU -0.105000 12.0100 3 SYS 1 MOL C3 CALTU -0.093400 12.0100 4 SYS 1 MOL C4 CALTU -0.117500 12.0100 5 SYS 1 MOL C5 CALTU -0.117500 12.0100 6 SYS 1 MOL C6 CALTU -0.093400 12.0100 7 SYS 1 MOL C7 C3LTU 0.686200 12.0100 8 SYS 1 MOL F1 FLTU -0.227200 19.0000 9 SYS 1 MOL F2 FLTU -0.227200 19.0000 10 SYS 1 MOL F3 FLTU -0.227200 19.0000 11 SYS 1 MOL C8 C3LTU 0.686200 12.0100 12 SYS 1 MOL F4 FLTU -0.227200 19.0000 13 SYS 1 MOL F5 FLTU -0.227200 19.0000 14 SYS 1 MOL F6 FLTU -0.227200 19.0000 15 SYS 1 MOL H1 HALTU 0.150400 1.0080 16 SYS 1 MOL H2 HALTU 0.150400 1.0080 17 SYS 1 MOL H3 HALTU 0.161100 1.0080 18 SYS 1 MOL H4 HALTU 0.161100 1.0080 18 !NBOND: bonds 1 6 1 2 2 3 3 4 4 5 4 11 5 6 5 7 7 8 7 9 7 10 11 12 11 13 11 14 1 15 2 16 3 17 6 18 30 !NTHETA: angles 1 6 5 1 2 3 2 1 6 2 3 4 3 4 5 3 4 11 4 5 6 4 5 7 4 11 12 4 11 13 4 11 14 5 4 11 5 7 8 5 7 9 5 7 10 6 5 7 8 7 9 8 7 10 9 7 10 12 11 13 12 11 14 13 11 14 1 6 18 1 2 16 2 1 15 2 3 17 3 2 16 4 3 17 5 6 18 6 1 15 36 !NPHI: dihedrals 1 6 5 4 1 6 5 7 1 2 3 4 2 1 6 5 2 3 4 5 2 3 4 11 6 1 2 3 3 4 5 6 3 4 5 7 3 4 11 12 3 4 11 13 3 4 11 14 4 5 7 8 4 5 7 9 4 5 7 10 5 4 11 12 5 4 11 13 5 4 11 14 6 5 4 11 6 5 7 8 6 5 7 9 6 5 7 10 7 5 4 11 1 2 3 17 2 1 6 18 15 1 2 3 4 3 2 16 4 5 6 18 5 4 3 17 15 1 6 5 6 1 2 16 7 5 6 18 11 4 3 17 15 1 6 18 15 1 2 16 16 2 3 17 6 !NIMPHI: impropers 3 5 4 11 7 4 5 6 15 1 6 2 1 3 2 16 2 4 3 17 1 5 6 18 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 !NGRP NST2 0 2 0 1 !MOLNT 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms