PSF CHEQ EXT XPLOR 1 !NTITLE 24 !NATOM 1 SYS 1 MOL C1 C3LTU -0.092000 12.0100 2 SYS 1 MOL C2 C3LTU -0.080800 12.0100 3 SYS 1 MOL C3 C3LTU -0.076900 12.0100 4 SYS 1 MOL C4 C3LTU -0.036300 12.0100 5 SYS 1 MOL C5 CALTU -0.076500 12.0100 6 SYS 1 MOL C6 CALTU -0.127800 12.0100 7 SYS 1 MOL C7 CALTU -0.128600 12.0100 8 SYS 1 MOL C8 CALTU -0.132500 12.0100 9 SYS 1 MOL C9 CALTU -0.128600 12.0100 10 SYS 1 MOL C10 CALTU -0.127800 12.0100 11 SYS 1 MOL H1 HCLTU 0.033600 1.0080 12 SYS 1 MOL H2 HCLTU 0.033600 1.0080 13 SYS 1 MOL H3 HCLTU 0.033600 1.0080 14 SYS 1 MOL H4 HCLTU 0.037800 1.0080 15 SYS 1 MOL H5 HCLTU 0.037800 1.0080 16 SYS 1 MOL H6 HCLTU 0.043800 1.0080 17 SYS 1 MOL H7 HCLTU 0.043800 1.0080 18 SYS 1 MOL H8 HCLTU 0.046900 1.0080 19 SYS 1 MOL H9 HCLTU 0.046900 1.0080 20 SYS 1 MOL H10 HALTU 0.130100 1.0080 21 SYS 1 MOL H11 HALTU 0.129600 1.0080 22 SYS 1 MOL H12 HALTU 0.130500 1.0080 23 SYS 1 MOL H13 HALTU 0.129600 1.0080 24 SYS 1 MOL H14 HALTU 0.130100 1.0080 24 !NBOND: bonds 1 2 2 3 3 4 4 5 5 10 5 6 6 7 7 8 8 9 9 10 1 11 1 12 1 13 2 14 2 15 3 16 3 17 4 18 4 19 6 20 7 21 8 22 9 23 10 24 42 !NTHETA: angles 1 2 3 2 3 4 3 4 5 4 5 10 4 5 6 5 10 9 5 6 7 6 5 10 6 7 8 7 8 9 8 9 10 1 2 14 1 2 15 2 1 11 2 1 12 2 1 13 2 3 16 2 3 17 3 2 14 3 2 15 3 4 18 3 4 19 4 3 16 4 3 17 5 4 18 5 4 19 5 10 24 5 6 20 6 7 21 7 6 20 7 8 22 8 7 21 8 9 23 9 8 22 9 10 24 10 9 23 11 1 12 11 1 13 12 1 13 14 2 15 16 3 17 18 4 19 57 !NPHI: dihedrals 1 2 3 4 2 3 4 5 3 4 5 10 3 4 5 6 4 5 10 9 4 5 6 7 5 10 9 8 5 6 7 8 6 5 10 9 6 7 8 9 7 6 5 10 7 8 9 10 1 2 3 16 1 2 3 17 2 3 4 18 2 3 4 19 11 1 2 3 12 1 2 3 13 1 2 3 4 3 2 14 4 3 2 15 4 5 10 24 4 5 6 20 5 4 3 16 5 4 3 17 5 10 9 23 5 6 7 21 6 5 4 18 6 5 4 19 6 5 10 24 6 7 8 22 7 8 9 23 8 7 6 20 8 9 10 24 9 8 7 21 10 5 4 18 10 5 4 19 10 5 6 20 10 9 8 22 11 1 2 14 11 1 2 15 12 1 2 14 12 1 2 15 13 1 2 14 13 1 2 15 14 2 3 16 14 2 3 17 15 2 3 16 15 2 3 17 16 3 4 18 16 3 4 19 17 3 4 18 17 3 4 19 20 6 7 21 21 7 8 22 22 8 9 23 23 9 10 24 6 !NIMPHI: impropers 6 10 5 4 5 7 6 20 6 8 7 21 7 9 8 22 8 10 9 23 5 9 10 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