PSF CHEQ EXT XPLOR 1 !NTITLE 18 !NATOM 1 SYS 1 MOL C1 C3LTU -0.089100 12.0100 2 SYS 1 MOL C2 C3LTU -0.105600 12.0100 3 SYS 1 MOL C3 C3LTU 0.148900 12.0100 4 SYS 1 MOL C4 C3LTU -0.103000 12.0100 5 SYS 1 MOL C5 C3LTU -0.103000 12.0100 6 SYS 1 MOL O1 OHLTU -0.598300 16.0000 7 SYS 1 MOL H1 HCLTU 0.037900 1.0080 8 SYS 1 MOL H2 HCLTU 0.037900 1.0080 9 SYS 1 MOL H3 HCLTU 0.037900 1.0080 10 SYS 1 MOL H4 HCLTU 0.040500 1.0080 11 SYS 1 MOL H5 HCLTU 0.040500 1.0080 12 SYS 1 MOL H6 HCLTU 0.043200 1.0080 13 SYS 1 MOL H7 HCLTU 0.043200 1.0080 14 SYS 1 MOL H8 HCLTU 0.043200 1.0080 15 SYS 1 MOL H9 HCLTU 0.043200 1.0080 16 SYS 1 MOL H10 HCLTU 0.043200 1.0080 17 SYS 1 MOL H11 HCLTU 0.043200 1.0080 18 SYS 1 MOL H12 HOLTU 0.396200 1.0080 17 !NBOND: bonds 1 2 2 3 3 4 3 5 3 6 1 7 1 8 1 9 2 10 2 11 4 12 4 13 4 14 5 15 5 16 5 17 6 18 31 !NTHETA: angles 1 2 3 2 3 4 2 3 5 2 3 6 4 3 5 4 3 6 5 3 6 1 2 10 1 2 11 2 1 7 2 1 8 2 1 9 3 2 10 3 2 11 3 4 12 3 4 13 3 4 14 3 5 15 3 5 16 3 5 17 3 6 18 7 1 8 7 1 9 8 1 9 10 2 11 12 4 13 12 4 14 13 4 14 15 5 16 15 5 17 16 5 17 39 !NPHI: dihedrals 1 2 3 4 1 2 3 5 1 2 3 6 2 3 4 12 2 3 4 13 2 3 4 14 2 3 5 15 2 3 5 16 2 3 5 17 2 3 6 18 7 1 2 3 8 1 2 3 9 1 2 3 4 3 2 10 4 3 2 11 4 3 5 15 4 3 5 16 4 3 5 17 4 3 6 18 5 3 2 10 5 3 2 11 5 3 4 12 5 3 4 13 5 3 4 14 5 3 6 18 6 3 2 10 6 3 2 11 6 3 4 12 6 3 4 13 6 3 4 14 6 3 5 15 6 3 5 16 6 3 5 17 7 1 2 10 7 1 2 11 8 1 2 10 8 1 2 11 9 1 2 10 9 1 2 11 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