PSF CHEQ EXT XPLOR 1 !NTITLE 19 !NATOM 1 SYS 1 MOL C1 C3LTU 0.152200 12.0100 2 SYS 1 MOL N1 N3LTU -0.723600 14.0100 3 SYS 1 MOL C2 C3LTU 0.163500 12.0100 4 SYS 1 MOL C3 C3LTU 0.161900 12.0100 5 SYS 1 MOL N2 N3LTU -0.819900 14.0100 6 SYS 1 MOL C4 C3LTU 0.161900 12.0100 7 SYS 1 MOL C5 C3LTU 0.163500 12.0100 8 SYS 1 MOL H1 H1LTU 0.032200 1.0080 9 SYS 1 MOL H2 H1LTU 0.032200 1.0080 10 SYS 1 MOL H3 H1LTU 0.032200 1.0080 11 SYS 1 MOL H4 H1LTU 0.037000 1.0080 12 SYS 1 MOL H5 H1LTU 0.037000 1.0080 13 SYS 1 MOL H6 H1LTU 0.033400 1.0080 14 SYS 1 MOL H7 H1LTU 0.033400 1.0080 15 SYS 1 MOL H8 HNLTU 0.362400 1.0080 16 SYS 1 MOL H9 H1LTU 0.033400 1.0080 17 SYS 1 MOL H10 H1LTU 0.033400 1.0080 18 SYS 1 MOL H11 H1LTU 0.037000 1.0080 19 SYS 1 MOL H12 H1LTU 0.037000 1.0080 19 !NBOND: bonds 1 2 2 7 2 3 3 4 4 5 5 6 6 7 1 8 1 9 1 10 3 11 3 12 4 13 4 14 5 15 6 16 6 17 7 18 7 19 36 !NTHETA: angles 1 2 7 1 2 3 2 7 6 2 3 4 3 2 7 3 4 5 4 5 6 5 6 7 2 1 8 2 1 9 2 1 10 2 7 18 2 7 19 2 3 11 2 3 12 3 4 13 3 4 14 4 3 11 4 3 12 4 5 15 5 4 13 5 4 14 5 6 16 5 6 17 6 5 15 6 7 18 6 7 19 7 6 16 7 6 17 8 1 9 8 1 10 9 1 10 11 3 12 13 4 14 16 6 17 18 7 19 48 !NPHI: dihedrals 1 2 7 6 1 2 3 4 2 7 6 5 2 3 4 5 3 2 7 6 3 4 5 6 4 3 2 7 4 5 6 7 1 2 7 18 1 2 7 19 1 2 3 11 1 2 3 12 2 7 6 16 2 7 6 17 2 3 4 13 2 3 4 14 8 1 2 3 9 1 2 3 10 1 2 3 3 2 7 18 3 2 7 19 3 4 5 15 4 5 6 16 4 5 6 17 5 4 3 11 5 4 3 12 5 6 7 18 5 6 7 19 6 5 4 13 6 5 4 14 8 1 2 7 9 1 2 7 10 1 2 7 7 2 3 11 7 2 3 12 7 6 5 15 11 3 4 13 11 3 4 14 12 3 4 13 12 3 4 14 13 4 5 15 14 4 5 15 15 5 6 16 15 5 6 17 16 6 7 18 16 6 7 19 17 6 7 18 17 6 7 19 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 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms