PSF CHEQ EXT XPLOR 1 !NTITLE 15 !NATOM 1 SYS 1 MOL C1 C3LTU -0.107200 12.0100 2 SYS 1 MOL C2 C3LTU 0.135200 12.0100 3 SYS 1 MOL C3 C3LTU -0.107200 12.0100 4 SYS 1 MOL O1 OSLTU -0.416600 16.0000 5 SYS 1 MOL C4 C3LTU 0.115900 12.0100 6 SYS 1 MOL H1 HCLTU 0.042900 1.0080 7 SYS 1 MOL H2 HCLTU 0.042900 1.0080 8 SYS 1 MOL H3 HCLTU 0.042900 1.0080 9 SYS 1 MOL H4 H1LTU 0.028200 1.0080 10 SYS 1 MOL H5 HCLTU 0.042900 1.0080 11 SYS 1 MOL H6 HCLTU 0.042900 1.0080 12 SYS 1 MOL H7 HCLTU 0.042900 1.0080 13 SYS 1 MOL H8 H1LTU 0.031300 1.0080 14 SYS 1 MOL H9 H1LTU 0.031300 1.0080 15 SYS 1 MOL H10 H1LTU 0.031300 1.0080 14 !NBOND: bonds 1 2 2 3 2 4 4 5 1 6 1 7 1 8 2 9 3 10 3 11 3 12 5 13 5 14 5 15 25 !NTHETA: angles 1 2 3 1 2 4 2 4 5 3 2 4 1 2 9 2 1 6 2 1 7 2 1 8 2 3 10 2 3 11 2 3 12 3 2 9 4 2 9 4 5 13 4 5 14 4 5 15 6 1 7 6 1 8 7 1 8 10 3 11 10 3 12 11 3 12 13 5 14 13 5 15 14 5 15 24 !NPHI: dihedrals 1 2 4 5 3 2 4 5 1 2 3 10 1 2 3 11 1 2 3 12 2 4 5 13 2 4 5 14 2 4 5 15 6 1 2 3 7 1 2 3 8 1 2 3 6 1 2 4 7 1 2 4 8 1 2 4 4 2 3 10 4 2 3 11 4 2 3 12 5 4 2 9 6 1 2 9 7 1 2 9 8 1 2 9 9 2 3 10 9 2 3 11 9 2 3 12 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 1 0 !NGRP NST2 0 1 0 1 !MOLNT 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms