PSF CHEQ EXT XPLOR 1 !NTITLE 20 !NATOM 1 SYS 1 MOL C1 C3LTU -0.092200 12.0100 2 SYS 1 MOL C2 C3LTU -0.085300 12.0100 3 SYS 1 MOL C3 C3LTU -0.075400 12.0100 4 SYS 1 MOL C4 C3LTU -0.127200 12.0100 5 SYS 1 MOL C5 CLTU 0.631700 12.0100 6 SYS 1 MOL O1 OLTU -0.542700 16.0000 7 SYS 1 MOL O2 OSLTU -0.444900 16.0000 8 SYS 1 MOL C6 C3LTU 0.128100 12.0100 9 SYS 1 MOL H1 HCLTU 0.034500 1.0080 10 SYS 1 MOL H2 HCLTU 0.034500 1.0080 11 SYS 1 MOL H3 HCLTU 0.034500 1.0080 12 SYS 1 MOL H4 HCLTU 0.044300 1.0080 13 SYS 1 MOL H5 HCLTU 0.044300 1.0080 14 SYS 1 MOL H6 HCLTU 0.055000 1.0080 15 SYS 1 MOL H7 HCLTU 0.055000 1.0080 16 SYS 1 MOL H8 HCLTU 0.077700 1.0080 17 SYS 1 MOL H9 HCLTU 0.077700 1.0080 18 SYS 1 MOL H10 H1LTU 0.050100 1.0080 19 SYS 1 MOL H11 H1LTU 0.050100 1.0080 20 SYS 1 MOL H12 H1LTU 0.050100 1.0080 19 !NBOND: bonds 1 2 2 3 3 4 4 5 5 6 5 7 7 8 1 9 1 10 1 11 2 12 2 13 3 14 3 15 4 16 4 17 8 18 8 19 8 20 34 !NTHETA: angles 1 2 3 2 3 4 3 4 5 4 5 6 4 5 7 5 7 8 6 5 7 1 2 12 1 2 13 2 1 9 2 1 10 2 1 11 2 3 14 2 3 15 3 2 12 3 2 13 3 4 16 3 4 17 4 3 14 4 3 15 5 4 16 5 4 17 7 8 18 7 8 19 7 8 20 9 1 10 9 1 11 10 1 11 12 2 13 14 3 15 16 4 17 18 8 19 18 8 20 19 8 20 38 !NPHI: dihedrals 1 2 3 4 2 3 4 5 3 4 5 6 3 4 5 7 4 5 7 8 6 5 7 8 1 2 3 14 1 2 3 15 2 3 4 16 2 3 4 17 9 1 2 3 10 1 2 3 11 1 2 3 4 3 2 12 4 3 2 13 5 4 3 14 5 4 3 15 5 7 8 18 5 7 8 19 5 7 8 20 6 5 4 16 6 5 4 17 7 5 4 16 7 5 4 17 9 1 2 12 9 1 2 13 10 1 2 12 10 1 2 13 11 1 2 12 11 1 2 13 12 2 3 14 12 2 3 15 13 2 3 14 13 2 3 15 14 3 4 16 14 3 4 17 15 3 4 16 15 3 4 17 1 !NIMPHI: impropers 4 6 5 7 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 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 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms