PSF CHEQ EXT XPLOR 1 !NTITLE 24 !NATOM 1 SYS 1 MOL C1 C3LTU 0.125900 12.0100 2 SYS 1 MOL O1 OSLTU -0.446100 16.0000 3 SYS 1 MOL C2 CLTU 0.632000 12.0100 4 SYS 1 MOL O2 OLTU -0.538600 16.0000 5 SYS 1 MOL C3 C3LTU -0.100900 12.0100 6 SYS 1 MOL C4 C3LTU -0.071100 12.0100 7 SYS 1 MOL C5 C3LTU -0.080600 12.0100 8 SYS 1 MOL C6 C3LTU -0.078000 12.0100 9 SYS 1 MOL C7 C3LTU -0.080600 12.0100 10 SYS 1 MOL C8 C3LTU -0.071100 12.0100 11 SYS 1 MOL H1 H1LTU 0.048700 1.0080 12 SYS 1 MOL H2 H1LTU 0.048700 1.0080 13 SYS 1 MOL H3 H1LTU 0.048700 1.0080 14 SYS 1 MOL H4 HCLTU 0.078000 1.0080 15 SYS 1 MOL H5 HCLTU 0.053200 1.0080 16 SYS 1 MOL H6 HCLTU 0.053200 1.0080 17 SYS 1 MOL H7 HCLTU 0.047900 1.0080 18 SYS 1 MOL H8 HCLTU 0.047900 1.0080 19 SYS 1 MOL H9 HCLTU 0.040200 1.0080 20 SYS 1 MOL H10 HCLTU 0.040200 1.0080 21 SYS 1 MOL H11 HCLTU 0.047900 1.0080 22 SYS 1 MOL H12 HCLTU 0.047900 1.0080 23 SYS 1 MOL H13 HCLTU 0.053200 1.0080 24 SYS 1 MOL H14 HCLTU 0.053200 1.0080 24 !NBOND: bonds 1 2 2 3 3 4 3 5 5 10 5 6 6 7 7 8 8 9 9 10 1 11 1 12 1 13 5 14 6 15 6 16 7 17 7 18 8 19 8 20 9 21 9 22 10 23 10 24 46 !NTHETA: angles 1 2 3 2 3 4 2 3 5 3 5 10 3 5 6 4 3 5 5 10 9 5 6 7 6 5 10 6 7 8 7 8 9 8 9 10 2 1 11 2 1 12 2 1 13 3 5 14 5 10 23 5 10 24 5 6 15 5 6 16 6 5 14 6 7 17 6 7 18 7 6 15 7 6 16 7 8 19 7 8 20 8 7 17 8 7 18 8 9 21 8 9 22 9 8 19 9 8 20 9 10 23 9 10 24 10 5 14 10 9 21 10 9 22 11 1 12 11 1 13 12 1 13 15 6 16 17 7 18 19 8 20 21 9 22 23 10 24 65 !NPHI: dihedrals 1 2 3 4 1 2 3 5 2 3 5 10 2 3 5 6 3 5 10 9 3 5 6 7 4 3 5 10 4 3 5 6 5 10 9 8 5 6 7 8 6 5 10 9 6 7 8 9 7 6 5 10 7 8 9 10 2 3 5 14 11 1 2 3 12 1 2 3 13 1 2 3 3 5 10 23 3 5 10 24 3 5 6 15 3 5 6 16 4 3 5 14 5 10 9 21 5 10 9 22 5 6 7 17 5 6 7 18 6 5 10 23 6 5 10 24 6 7 8 19 6 7 8 20 7 6 5 14 7 8 9 21 7 8 9 22 8 7 6 15 8 7 6 16 8 9 10 23 8 9 10 24 9 8 7 17 9 8 7 18 9 10 5 14 10 5 6 15 10 5 6 16 10 9 8 19 10 9 8 20 14 5 10 23 14 5 10 24 14 5 6 15 14 5 6 16 15 6 7 17 15 6 7 18 16 6 7 17 16 6 7 18 17 7 8 19 17 7 8 20 18 7 8 19 18 7 8 20 19 8 9 21 19 8 9 22 20 8 9 21 20 8 9 22 21 9 10 23 21 9 10 24 22 9 10 23 22 9 10 24 1 !NIMPHI: impropers 5 4 3 2 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