PSF CHEQ EXT XPLOR 1 !NTITLE 20 !NATOM 1 SYS 1 MOL C1 C3LTU -0.143400 12.0100 2 SYS 1 MOL C2 C3LTU 0.153700 12.0100 3 SYS 1 MOL H1 H1LTU 0.069300 1.0080 4 SYS 1 MOL C3 C3LTU -0.087300 12.0100 5 SYS 1 MOL C4 C3LTU 0.124400 12.0100 6 SYS 1 MOL O1 OSLTU -0.347100 16.0000 7 SYS 1 MOL N1 NOLTU 0.378600 14.0100 8 SYS 1 MOL O2 OLTU -0.174400 16.0000 9 SYS 1 MOL O3 OLTU -0.174400 16.0000 10 SYS 1 MOL O4 OSLTU -0.365300 16.0000 11 SYS 1 MOL N2 NOLTU 0.369200 14.0100 12 SYS 1 MOL O5 OLTU -0.159000 16.0000 13 SYS 1 MOL O6 OLTU -0.159000 16.0000 14 SYS 1 MOL H2 HCLTU 0.063700 1.0080 15 SYS 1 MOL H3 HCLTU 0.063700 1.0080 16 SYS 1 MOL H4 HCLTU 0.063700 1.0080 17 SYS 1 MOL H5 HCLTU 0.087100 1.0080 18 SYS 1 MOL H6 HCLTU 0.087100 1.0080 19 SYS 1 MOL H7 H1LTU 0.074700 1.0080 20 SYS 1 MOL H8 H1LTU 0.074700 1.0080 19 !NBOND: bonds 1 2 2 4 2 10 4 5 5 6 6 7 7 8 7 9 10 11 11 12 11 13 1 14 1 15 1 16 2 3 4 17 4 18 5 19 5 20 32 !NTHETA: angles 1 2 4 1 2 10 2 4 5 2 10 11 4 2 10 4 5 6 5 6 7 6 7 8 6 7 9 8 7 9 10 11 12 10 11 13 12 11 13 1 2 3 2 1 14 2 1 15 2 1 16 2 4 17 2 4 18 3 2 4 3 2 10 4 5 19 4 5 20 5 4 17 5 4 18 6 5 19 6 5 20 14 1 15 14 1 16 15 1 16 17 4 18 19 5 20 37 !NPHI: dihedrals 1 2 4 5 1 2 10 11 2 4 5 6 2 10 11 12 2 10 11 13 4 2 10 11 4 5 6 7 5 4 2 10 5 6 7 8 5 6 7 9 1 2 4 17 1 2 4 18 2 4 5 19 2 4 5 20 14 1 2 3 15 1 2 3 16 1 2 3 3 2 4 5 3 2 4 17 3 2 4 18 3 2 10 11 14 1 2 4 15 1 2 4 16 1 2 4 6 5 4 17 6 5 4 18 7 6 5 19 7 6 5 20 14 1 2 10 15 1 2 10 16 1 2 10 10 2 4 17 10 2 4 18 17 4 5 19 17 4 5 20 18 4 5 19 18 4 5 20 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 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 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms