PSF CHEQ EXT XPLOR 1 !NTITLE 18 !NATOM 1 SYS 1 MOL C1 C3LTU -0.091400 12.0100 2 SYS 1 MOL C2 C3LTU -0.075700 12.0100 3 SYS 1 MOL C3 C3LTU -0.060400 12.0100 4 SYS 1 MOL H1 HCLTU 0.043900 1.0080 5 SYS 1 MOL C4 C3LTU -0.088700 12.0100 6 SYS 1 MOL C5 C3LTU 0.133500 12.0100 7 SYS 1 MOL O1 OHLTU -0.598400 16.0000 8 SYS 1 MOL H2 HCLTU 0.031700 1.0080 9 SYS 1 MOL H3 HCLTU 0.031700 1.0080 10 SYS 1 MOL H4 HCLTU 0.031700 1.0080 11 SYS 1 MOL H5 HCLTU 0.047000 1.0080 12 SYS 1 MOL H6 HCLTU 0.047000 1.0080 13 SYS 1 MOL H7 HCLTU 0.037500 1.0080 14 SYS 1 MOL H8 HCLTU 0.037500 1.0080 15 SYS 1 MOL H9 HCLTU 0.037500 1.0080 16 SYS 1 MOL H10 H1LTU 0.019300 1.0080 17 SYS 1 MOL H11 H1LTU 0.019300 1.0080 18 SYS 1 MOL H12 HOLTU 0.396800 1.0080 17 !NBOND: bonds 1 2 2 3 3 5 3 6 6 7 1 8 1 9 1 10 2 11 2 12 3 4 5 13 5 14 5 15 6 16 6 17 7 18 31 !NTHETA: angles 1 2 3 2 3 5 2 3 6 3 6 7 5 3 6 1 2 11 1 2 12 2 1 8 2 1 9 2 1 10 2 3 4 3 2 11 3 2 12 3 5 13 3 5 14 3 5 15 3 6 16 3 6 17 4 3 5 4 3 6 6 7 18 7 6 16 7 6 17 8 1 9 8 1 10 9 1 10 11 2 12 13 5 14 13 5 15 14 5 15 16 6 17 39 !NPHI: dihedrals 1 2 3 5 1 2 3 6 2 3 6 7 5 3 6 7 1 2 3 4 2 3 5 13 2 3 5 14 2 3 5 15 2 3 6 16 2 3 6 17 8 1 2 3 9 1 2 3 10 1 2 3 3 6 7 18 4 3 2 11 4 3 2 12 4 3 5 13 4 3 5 14 4 3 5 15 4 3 6 7 4 3 6 16 4 3 6 17 5 3 2 11 5 3 2 12 5 3 6 16 5 3 6 17 6 3 2 11 6 3 2 12 6 3 5 13 6 3 5 14 6 3 5 15 8 1 2 11 8 1 2 12 9 1 2 11 9 1 2 12 10 1 2 11 10 1 2 12 16 6 7 18 17 6 7 18 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 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms