PSF CHEQ EXT XPLOR 1 !NTITLE 14 !NATOM 1 SYS 1 MOL C1 C3LTU -0.099000 12.0100 2 SYS 1 MOL C2 C3LTU 0.080000 12.0100 3 SYS 1 MOL C3 C3LTU -0.099000 12.0100 4 SYS 1 MOL C4 C3LTU -0.099000 12.0100 5 SYS 1 MOL Cl1 CLLTU -0.214900 35.4500 6 SYS 1 MOL H1 HCLTU 0.048000 1.0080 7 SYS 1 MOL H2 HCLTU 0.048000 1.0080 8 SYS 1 MOL H3 HCLTU 0.048000 1.0080 9 SYS 1 MOL H4 HCLTU 0.048000 1.0080 10 SYS 1 MOL H5 HCLTU 0.048000 1.0080 11 SYS 1 MOL H6 HCLTU 0.048000 1.0080 12 SYS 1 MOL H7 HCLTU 0.048000 1.0080 13 SYS 1 MOL H8 HCLTU 0.048000 1.0080 14 SYS 1 MOL H9 HCLTU 0.048000 1.0080 13 !NBOND: bonds 1 2 2 3 2 4 2 5 1 6 1 7 1 8 3 9 3 10 3 11 4 12 4 13 4 14 24 !NTHETA: angles 1 2 3 1 2 4 1 2 5 3 2 4 3 2 5 4 2 5 2 1 6 2 1 7 2 1 8 2 3 9 2 3 10 2 3 11 2 4 12 2 4 13 2 4 14 6 1 7 6 1 8 7 1 8 9 3 10 9 3 11 10 3 11 12 4 13 12 4 14 13 4 14 27 !NPHI: dihedrals 1 2 3 9 1 2 3 10 1 2 3 11 1 2 4 12 1 2 4 13 1 2 4 14 6 1 2 3 7 1 2 3 8 1 2 3 3 2 4 12 3 2 4 13 3 2 4 14 6 1 2 4 7 1 2 4 8 1 2 4 4 2 3 9 4 2 3 10 4 2 3 11 6 1 2 5 7 1 2 5 8 1 2 5 5 2 3 9 5 2 3 10 5 2 3 11 5 2 4 12 5 2 4 13 5 2 4 14 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 1 0 !NGRP NST2 0 1 0 1 !MOLNT 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms