PSF CHEQ EXT XPLOR 1 !NTITLE 11 !NATOM 1 SYS 1 MOL C1 CYLTU -0.115700 12.0100 2 SYS 1 MOL C2 CYLTU 0.124700 12.0100 3 SYS 1 MOL N1 N3LTU -0.788300 14.0100 4 SYS 1 MOL C3 CYLTU 0.124700 12.0100 5 SYS 1 MOL H1 HCLTU 0.056000 1.0080 6 SYS 1 MOL H2 HCLTU 0.056000 1.0080 7 SYS 1 MOL H3 H1LTU 0.049500 1.0080 8 SYS 1 MOL H4 H1LTU 0.049500 1.0080 9 SYS 1 MOL H5 HNLTU 0.344600 1.0080 10 SYS 1 MOL H6 H1LTU 0.049500 1.0080 11 SYS 1 MOL H7 H1LTU 0.049500 1.0080 11 !NBOND: bonds 1 4 1 2 2 3 3 4 1 5 1 6 2 7 2 8 3 9 4 10 4 11 21 !NTHETA: angles 1 4 3 1 2 3 2 1 4 2 3 4 1 4 10 1 4 11 1 2 7 1 2 8 2 1 5 2 1 6 2 3 9 3 2 7 3 2 8 3 4 10 3 4 11 4 1 5 4 1 6 4 3 9 5 1 6 7 2 8 10 4 11 30 !NPHI: dihedrals 1 4 3 2 1 2 3 4 2 1 4 3 4 1 2 3 1 4 3 9 1 2 3 9 2 1 4 10 2 1 4 11 2 3 4 10 2 3 4 11 5 1 2 3 6 1 2 3 5 1 4 3 6 1 4 3 4 1 2 7 4 1 2 8 4 3 2 7 4 3 2 8 5 1 4 10 5 1 4 11 5 1 2 7 5 1 2 8 6 1 4 10 6 1 4 11 6 1 2 7 6 1 2 8 7 2 3 9 8 2 3 9 9 3 4 10 9 3 4 11 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms