PSF CHEQ EXT XPLOR 1 !NTITLE 18 !NATOM 1 SYS 1 MOL C1 C3LTU -0.052900 12.0100 2 SYS 1 MOL C2 CALTU -0.081700 12.0100 3 SYS 1 MOL C3 CALTU -0.127300 12.0100 4 SYS 1 MOL C4 CALTU -0.127300 12.0100 5 SYS 1 MOL C5 CALTU -0.081700 12.0100 6 SYS 1 MOL C6 CALTU -0.127300 12.0100 7 SYS 1 MOL C7 CALTU -0.127300 12.0100 8 SYS 1 MOL C8 C3LTU -0.052800 12.0100 9 SYS 1 MOL H1 HCLTU 0.043200 1.0080 10 SYS 1 MOL H2 HCLTU 0.043200 1.0080 11 SYS 1 MOL H3 HCLTU 0.043200 1.0080 12 SYS 1 MOL H4 HALTU 0.129800 1.0080 13 SYS 1 MOL H5 HALTU 0.129800 1.0080 14 SYS 1 MOL H6 HALTU 0.129800 1.0080 15 SYS 1 MOL H7 HALTU 0.129800 1.0080 16 SYS 1 MOL H8 HCLTU 0.043200 1.0080 17 SYS 1 MOL H9 HCLTU 0.043200 1.0080 18 SYS 1 MOL H10 HCLTU 0.043200 1.0080 18 !NBOND: bonds 1 2 2 7 2 3 3 4 4 5 5 6 5 8 6 7 1 9 1 10 1 11 3 12 4 13 6 14 7 15 8 16 8 17 8 18 30 !NTHETA: angles 1 2 7 1 2 3 2 7 6 2 3 4 3 2 7 3 4 5 4 5 6 4 5 8 5 6 7 6 5 8 2 1 9 2 1 10 2 1 11 2 7 15 2 3 12 3 4 13 4 3 12 5 4 13 5 6 14 5 8 16 5 8 17 5 8 18 6 7 15 7 6 14 9 1 10 9 1 11 10 1 11 16 8 17 16 8 18 17 8 18 36 !NPHI: dihedrals 1 2 7 6 1 2 3 4 2 7 6 5 2 3 4 5 3 2 7 6 3 4 5 6 3 4 5 8 4 3 2 7 4 5 6 7 7 6 5 8 1 2 7 15 1 2 3 12 2 7 6 14 2 3 4 13 9 1 2 3 10 1 2 3 11 1 2 3 3 2 7 15 4 5 6 14 4 5 8 16 4 5 8 17 4 5 8 18 5 4 3 12 5 6 7 15 6 5 4 13 6 5 8 16 6 5 8 17 6 5 8 18 9 1 2 7 10 1 2 7 11 1 2 7 7 2 3 12 8 5 4 13 8 5 6 14 12 3 4 13 14 6 7 15 6 !NIMPHI: impropers 1 2 7 3 8 4 5 6 2 4 3 12 3 5 4 13 5 7 6 14 2 6 7 15 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 2 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