PSF CHEQ EXT XPLOR 1 !NTITLE 15 !NATOM 1 SYS 1 MOL C1 C3LTU -0.087900 12.0100 2 SYS 1 MOL C2 C3LTU -0.052900 12.0100 3 SYS 1 MOL C3 C2LTU -0.170400 12.0100 4 SYS 1 MOL C4 C2LTU -0.168700 12.0100 5 SYS 1 MOL C5 C3LTU -0.067300 12.0100 6 SYS 1 MOL H1 HCLTU 0.034000 1.0080 7 SYS 1 MOL H2 HCLTU 0.034000 1.0080 8 SYS 1 MOL H3 HCLTU 0.034000 1.0080 9 SYS 1 MOL H4 HCLTU 0.043000 1.0080 10 SYS 1 MOL H5 HCLTU 0.043000 1.0080 11 SYS 1 MOL H6 HALTU 0.119500 1.0080 12 SYS 1 MOL H7 HALTU 0.117100 1.0080 13 SYS 1 MOL H8 HCLTU 0.040900 1.0080 14 SYS 1 MOL H9 HCLTU 0.040900 1.0080 15 SYS 1 MOL H10 HCLTU 0.040900 1.0080 14 !NBOND: bonds 1 2 2 3 3 4 4 5 1 6 1 7 1 8 2 9 2 10 3 11 4 12 5 13 5 14 5 15 24 !NTHETA: angles 1 2 3 2 3 4 3 4 5 1 2 9 1 2 10 2 1 6 2 1 7 2 1 8 2 3 11 3 2 9 3 2 10 3 4 12 4 3 11 4 5 13 4 5 14 4 5 15 5 4 12 6 1 7 6 1 8 7 1 8 9 2 10 13 5 14 13 5 15 14 5 15 25 !NPHI: dihedrals 1 2 3 4 2 3 4 5 1 2 3 11 2 3 4 12 6 1 2 3 7 1 2 3 8 1 2 3 3 4 5 13 3 4 5 14 3 4 5 15 4 3 2 9 4 3 2 10 5 4 3 11 6 1 2 9 6 1 2 10 7 1 2 9 7 1 2 10 8 1 2 9 8 1 2 10 9 2 3 11 10 2 3 11 11 3 4 12 12 4 5 13 12 4 5 14 12 4 5 15 2 !NIMPHI: impropers 4 2 3 11 3 5 4 12 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms