PSF CHEQ EXT XPLOR 1 !NTITLE 17 !NATOM 1 SYS 1 MOL C1 C3LTU -0.104500 12.0100 2 SYS 1 MOL C2 C3LTU -0.094100 12.0100 3 SYS 1 MOL C3 C3LTU -0.104500 12.0100 4 SYS 1 MOL C4 C3LTU 0.128100 12.0100 5 SYS 1 MOL O1 OSLTU -0.349700 16.0000 6 SYS 1 MOL N1 NOLTU 0.374600 14.0100 7 SYS 1 MOL O2 OLTU -0.181500 16.0000 8 SYS 1 MOL O3 OLTU -0.181500 16.0000 9 SYS 1 MOL H1 HCLTU 0.045800 1.0080 10 SYS 1 MOL H2 HCLTU 0.045800 1.0080 11 SYS 1 MOL H3 HCLTU 0.045800 1.0080 12 SYS 1 MOL H4 HCLTU 0.066100 1.0080 13 SYS 1 MOL H5 HCLTU 0.045800 1.0080 14 SYS 1 MOL H6 HCLTU 0.045800 1.0080 15 SYS 1 MOL H7 HCLTU 0.045800 1.0080 16 SYS 1 MOL H8 H1LTU 0.086000 1.0080 17 SYS 1 MOL H9 H1LTU 0.086000 1.0080 16 !NBOND: bonds 1 2 2 3 2 4 4 5 5 6 6 7 6 8 1 9 1 10 1 11 2 12 3 13 3 14 3 15 4 16 4 17 28 !NTHETA: angles 1 2 3 1 2 4 2 4 5 3 2 4 4 5 6 5 6 7 5 6 8 7 6 8 1 2 12 2 1 9 2 1 10 2 1 11 2 3 13 2 3 14 2 3 15 2 4 16 2 4 17 3 2 12 4 2 12 5 4 16 5 4 17 9 1 10 9 1 11 10 1 11 13 3 14 13 3 15 14 3 15 16 4 17 32 !NPHI: dihedrals 1 2 4 5 2 4 5 6 3 2 4 5 4 5 6 7 4 5 6 8 1 2 3 13 1 2 3 14 1 2 3 15 1 2 4 16 1 2 4 17 9 1 2 3 10 1 2 3 11 1 2 3 3 2 4 16 3 2 4 17 9 1 2 4 10 1 2 4 11 1 2 4 4 2 3 13 4 2 3 14 4 2 3 15 5 4 2 12 6 5 4 16 6 5 4 17 9 1 2 12 10 1 2 12 11 1 2 12 12 2 3 13 12 2 3 14 12 2 3 15 12 2 4 16 12 2 4 17 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 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms