PSF CHEQ EXT XPLOR 1 !NTITLE 16 !NATOM 1 SYS 1 MOL C1 C3LTU -0.078200 12.0100 2 SYS 1 MOL C2 C3LTU -0.078200 12.0100 3 SYS 1 MOL C3 C3LTU -0.097500 12.0100 4 SYS 1 MOL C4 C3LTU 0.138200 12.0100 5 SYS 1 MOL C5 C3LTU -0.097500 12.0100 6 SYS 1 MOL O1 OHLTU -0.602600 16.0000 7 SYS 1 MOL H1 HCLTU 0.043000 1.0080 8 SYS 1 MOL H2 HCLTU 0.043000 1.0080 9 SYS 1 MOL H3 HCLTU 0.043000 1.0080 10 SYS 1 MOL H4 HCLTU 0.043000 1.0080 11 SYS 1 MOL H5 HCLTU 0.051200 1.0080 12 SYS 1 MOL H6 HCLTU 0.051200 1.0080 13 SYS 1 MOL H7 H1LTU 0.040600 1.0080 14 SYS 1 MOL H8 HCLTU 0.051200 1.0080 15 SYS 1 MOL H9 HCLTU 0.051200 1.0080 16 SYS 1 MOL H10 HOLTU 0.398600 1.0080 16 !NBOND: bonds 1 5 1 2 2 3 3 4 4 5 4 6 1 7 1 8 2 9 2 10 3 11 3 12 4 13 5 14 5 15 6 16 31 !NTHETA: angles 1 5 4 1 2 3 2 1 5 2 3 4 3 4 5 3 4 6 5 4 6 1 5 14 1 5 15 1 2 9 1 2 10 2 1 7 2 1 8 2 3 11 2 3 12 3 2 9 3 2 10 3 4 13 4 3 11 4 3 12 4 5 14 4 5 15 4 6 16 5 1 7 5 1 8 5 4 13 6 4 13 7 1 8 9 2 10 11 3 12 14 5 15 48 !NPHI: dihedrals 1 5 4 3 1 5 4 6 1 2 3 4 2 1 5 4 2 3 4 5 2 3 4 6 5 1 2 3 1 5 4 13 1 2 3 11 1 2 3 12 2 1 5 14 2 1 5 15 2 3 4 13 7 1 2 3 8 1 2 3 3 4 5 14 3 4 5 15 3 4 6 16 4 3 2 9 4 3 2 10 7 1 5 4 8 1 5 4 5 1 2 9 5 1 2 10 5 4 3 11 5 4 3 12 5 4 6 16 6 4 3 11 6 4 3 12 6 4 5 14 6 4 5 15 7 1 5 14 7 1 5 15 7 1 2 9 7 1 2 10 8 1 5 14 8 1 5 15 8 1 2 9 8 1 2 10 9 2 3 11 9 2 3 12 10 2 3 11 10 2 3 12 11 3 4 13 12 3 4 13 13 4 5 14 13 4 5 15 13 4 6 16 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 !NGRP NST2 0 2 0 1 !MOLNT 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms