PSF CHEQ EXT XPLOR 1 !NTITLE 17 !NATOM 1 SYS 1 MOL C1 C3LTU -0.083000 12.0100 2 SYS 1 MOL C2 C3LTU -0.072500 12.0100 3 SYS 1 MOL C3 C3LTU -0.181100 12.0100 4 SYS 1 MOL C4 CLTU 0.569000 12.0100 5 SYS 1 MOL O1 OLTU -0.532900 16.0000 6 SYS 1 MOL C5 C3LTU -0.181100 12.0100 7 SYS 1 MOL C6 C3LTU -0.072500 12.0100 8 SYS 1 MOL H1 HCLTU 0.045000 1.0080 9 SYS 1 MOL H2 HCLTU 0.045000 1.0080 10 SYS 1 MOL H3 HCLTU 0.047400 1.0080 11 SYS 1 MOL H4 HCLTU 0.047400 1.0080 12 SYS 1 MOL H5 HCLTU 0.068700 1.0080 13 SYS 1 MOL H6 HCLTU 0.068700 1.0080 14 SYS 1 MOL H7 HCLTU 0.068700 1.0080 15 SYS 1 MOL H8 HCLTU 0.068700 1.0080 16 SYS 1 MOL H9 HCLTU 0.047400 1.0080 17 SYS 1 MOL H10 HCLTU 0.047400 1.0080 17 !NBOND: bonds 1 7 1 2 2 3 3 4 4 5 4 6 6 7 1 8 1 9 2 10 2 11 3 12 3 13 6 14 6 15 7 16 7 17 33 !NTHETA: angles 1 7 6 1 2 3 2 1 7 2 3 4 3 4 5 3 4 6 4 6 7 5 4 6 1 7 16 1 7 17 1 2 10 1 2 11 2 1 8 2 1 9 2 3 12 2 3 13 3 2 10 3 2 11 4 3 12 4 3 13 4 6 14 4 6 15 6 7 16 6 7 17 7 1 8 7 1 9 7 6 14 7 6 15 8 1 9 10 2 11 12 3 13 14 6 15 16 7 17 48 !NPHI: dihedrals 1 7 6 4 1 2 3 4 2 1 7 6 2 3 4 5 2 3 4 6 7 1 2 3 3 4 6 7 5 4 6 7 1 7 6 14 1 7 6 15 1 2 3 12 1 2 3 13 2 1 7 16 2 1 7 17 8 1 2 3 9 1 2 3 3 4 6 14 3 4 6 15 4 3 2 10 4 3 2 11 4 6 7 16 4 6 7 17 5 4 3 12 5 4 3 13 5 4 6 14 5 4 6 15 6 4 3 12 6 4 3 13 8 1 7 6 9 1 7 6 7 1 2 10 7 1 2 11 8 1 7 16 8 1 7 17 8 1 2 10 8 1 2 11 9 1 7 16 9 1 7 17 9 1 2 10 9 1 2 11 10 2 3 12 10 2 3 13 11 2 3 12 11 2 3 13 14 6 7 16 14 6 7 17 15 6 7 16 15 6 7 17 1 !NIMPHI: impropers 3 6 4 5 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 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms