PSF CHEQ EXT XPLOR 1 !NTITLE 24 !NATOM 1 SYS 1 MOL C1 C3LTU -0.095600 12.0100 2 SYS 1 MOL C2 C3LTU -0.074700 12.0100 3 SYS 1 MOL C3 C3LTU -0.022300 12.0100 4 SYS 1 MOL H1 HCLTU 0.053600 1.0080 5 SYS 1 MOL C4 C3LTU -0.087900 12.0100 6 SYS 1 MOL C5 CALTU -0.068700 12.0100 7 SYS 1 MOL C6 CALTU -0.129200 12.0100 8 SYS 1 MOL C7 CALTU -0.129300 12.0100 9 SYS 1 MOL C8 CALTU -0.134000 12.0100 10 SYS 1 MOL C9 CALTU -0.129300 12.0100 11 SYS 1 MOL C10 CALTU -0.129200 12.0100 12 SYS 1 MOL H2 HCLTU 0.035900 1.0080 13 SYS 1 MOL H3 HCLTU 0.035900 1.0080 14 SYS 1 MOL H4 HCLTU 0.035900 1.0080 15 SYS 1 MOL H5 HCLTU 0.039000 1.0080 16 SYS 1 MOL H6 HCLTU 0.039000 1.0080 17 SYS 1 MOL H7 HCLTU 0.036800 1.0080 18 SYS 1 MOL H8 HCLTU 0.036800 1.0080 19 SYS 1 MOL H9 HCLTU 0.036800 1.0080 20 SYS 1 MOL H10 HALTU 0.130800 1.0080 21 SYS 1 MOL H11 HALTU 0.129800 1.0080 22 SYS 1 MOL H12 HALTU 0.129300 1.0080 23 SYS 1 MOL H13 HALTU 0.129800 1.0080 24 SYS 1 MOL H14 HALTU 0.130800 1.0080 24 !NBOND: bonds 1 2 2 3 3 5 3 6 6 11 6 7 7 8 8 9 9 10 10 11 1 12 1 13 1 14 2 15 2 16 3 4 5 17 5 18 5 19 7 20 8 21 9 22 10 23 11 24 42 !NTHETA: angles 1 2 3 2 3 5 2 3 6 3 6 11 3 6 7 5 3 6 6 11 10 6 7 8 7 6 11 7 8 9 8 9 10 9 10 11 1 2 15 1 2 16 2 1 12 2 1 13 2 1 14 2 3 4 3 2 15 3 2 16 3 5 17 3 5 18 3 5 19 4 3 5 4 3 6 6 11 24 6 7 20 7 8 21 8 7 20 8 9 22 9 8 21 9 10 23 10 9 22 10 11 24 11 10 23 12 1 13 12 1 14 13 1 14 15 2 16 17 5 18 17 5 19 18 5 19 57 !NPHI: dihedrals 1 2 3 5 1 2 3 6 2 3 6 11 2 3 6 7 3 6 11 10 3 6 7 8 5 3 6 11 5 3 6 7 6 11 10 9 6 7 8 9 7 6 11 10 7 8 9 10 8 7 6 11 8 9 10 11 1 2 3 4 2 3 5 17 2 3 5 18 2 3 5 19 12 1 2 3 13 1 2 3 14 1 2 3 3 6 11 24 3 6 7 20 4 3 2 15 4 3 2 16 4 3 5 17 4 3 5 18 4 3 5 19 4 3 6 11 4 3 6 7 5 3 2 15 5 3 2 16 6 3 2 15 6 3 2 16 6 3 5 17 6 3 5 18 6 3 5 19 6 11 10 23 6 7 8 21 7 6 11 24 7 8 9 22 8 9 10 23 9 8 7 20 9 10 11 24 10 9 8 21 11 6 7 20 11 10 9 22 12 1 2 15 12 1 2 16 13 1 2 15 13 1 2 16 14 1 2 15 14 1 2 16 20 7 8 21 21 8 9 22 22 9 10 23 23 10 11 24 6 !NIMPHI: impropers 7 11 6 3 6 8 7 20 7 9 8 21 8 10 9 22 9 11 10 23 6 10 11 24 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 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 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms