PSF CHEQ EXT XPLOR 1 !NTITLE 27 !NATOM 1 SYS 1 MOL C1 C3LTU -0.092400 12.0100 2 SYS 1 MOL C2 C3LTU -0.079900 12.0100 3 SYS 1 MOL C3 C3LTU -0.081100 12.0100 4 SYS 1 MOL C4 C3LTU -0.076500 12.0100 5 SYS 1 MOL C5 C3LTU -0.075900 12.0100 6 SYS 1 MOL C6 C3LTU -0.074500 12.0100 7 SYS 1 MOL C7 C3LTU -0.053900 12.0100 8 SYS 1 MOL C8 C2LTU -0.161700 12.0100 9 SYS 1 MOL C9 C2LTU -0.224200 12.0100 10 SYS 1 MOL H1 HCLTU 0.032600 1.0080 11 SYS 1 MOL H2 HCLTU 0.032600 1.0080 12 SYS 1 MOL H3 HCLTU 0.032600 1.0080 13 SYS 1 MOL H4 HCLTU 0.037600 1.0080 14 SYS 1 MOL H5 HCLTU 0.037600 1.0080 15 SYS 1 MOL H6 HCLTU 0.040800 1.0080 16 SYS 1 MOL H7 HCLTU 0.040800 1.0080 17 SYS 1 MOL H8 HCLTU 0.038600 1.0080 18 SYS 1 MOL H9 HCLTU 0.038600 1.0080 19 SYS 1 MOL H10 HCLTU 0.037700 1.0080 20 SYS 1 MOL H11 HCLTU 0.037700 1.0080 21 SYS 1 MOL H12 HCLTU 0.041000 1.0080 22 SYS 1 MOL H13 HCLTU 0.041000 1.0080 23 SYS 1 MOL H14 HCLTU 0.046700 1.0080 24 SYS 1 MOL H15 HCLTU 0.046700 1.0080 25 SYS 1 MOL H16 HALTU 0.116800 1.0080 26 SYS 1 MOL H17 HALTU 0.110300 1.0080 27 SYS 1 MOL H18 HALTU 0.110300 1.0080 26 !NBOND: bonds 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 1 10 1 11 1 12 2 13 2 14 3 15 3 16 4 17 4 18 5 19 5 20 6 21 6 22 7 23 7 24 8 25 9 26 9 27 48 !NTHETA: angles 1 2 3 2 3 4 3 4 5 4 5 6 5 6 7 6 7 8 7 8 9 1 2 13 1 2 14 2 1 10 2 1 11 2 1 12 2 3 15 2 3 16 3 2 13 3 2 14 3 4 17 3 4 18 4 3 15 4 3 16 4 5 19 4 5 20 5 4 17 5 4 18 5 6 21 5 6 22 6 5 19 6 5 20 6 7 23 6 7 24 7 6 21 7 6 22 7 8 25 8 7 23 8 7 24 8 9 26 8 9 27 9 8 25 10 1 11 10 1 12 11 1 12 13 2 14 15 3 16 17 4 18 19 5 20 21 6 22 23 7 24 26 9 27 64 !NPHI: dihedrals 1 2 3 4 2 3 4 5 3 4 5 6 4 5 6 7 5 6 7 8 6 7 8 9 1 2 3 15 1 2 3 16 2 3 4 17 2 3 4 18 10 1 2 3 11 1 2 3 12 1 2 3 3 4 5 19 3 4 5 20 4 3 2 13 4 3 2 14 4 5 6 21 4 5 6 22 5 4 3 15 5 4 3 16 5 6 7 23 5 6 7 24 6 5 4 17 6 5 4 18 6 7 8 25 7 6 5 19 7 6 5 20 7 8 9 26 7 8 9 27 8 7 6 21 8 7 6 22 9 8 7 23 9 8 7 24 10 1 2 13 10 1 2 14 11 1 2 13 11 1 2 14 12 1 2 13 12 1 2 14 13 2 3 15 13 2 3 16 14 2 3 15 14 2 3 16 15 3 4 17 15 3 4 18 16 3 4 17 16 3 4 18 17 4 5 19 17 4 5 20 18 4 5 19 18 4 5 20 19 5 6 21 19 5 6 22 20 5 6 21 20 5 6 22 21 6 7 23 21 6 7 24 22 6 7 23 22 6 7 24 23 7 8 25 24 7 8 25 25 8 9 26 25 8 9 27 2 !NIMPHI: impropers 9 7 8 25 8 26 9 27 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 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 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms