PSF CHEQ EXT XPLOR 1 !NTITLE 13 !NATOM 1 SYS 1 MOL C1 CALTU -0.259400 12.0100 2 SYS 1 MOL C2 CALTU -0.037600 12.0100 3 SYS 1 MOL C3 CALTU -0.315800 12.0100 4 SYS 1 MOL C4 CALTU 0.438500 12.0100 5 SYS 1 MOL N1 NBLTU -0.673800 14.0100 6 SYS 1 MOL C5 CALTU 0.422500 12.0100 7 SYS 1 MOL C6 CLTU 0.582400 12.0100 8 SYS 1 MOL O1 OLTU -0.523900 16.0000 9 SYS 1 MOL H1 HALTU 0.151400 1.0080 10 SYS 1 MOL H2 HALTU 0.160000 1.0080 11 SYS 1 MOL H3 H4LTU 0.025200 1.0080 12 SYS 1 MOL H4 H4LTU 0.027000 1.0080 13 SYS 1 MOL H5 H4LTU 0.003400 1.0080 13 !NBOND: bonds 1 6 1 2 2 3 3 4 3 7 4 5 5 6 7 8 1 9 2 10 4 11 6 12 7 13 19 !NTHETA: angles 1 6 5 1 2 3 2 1 6 2 3 4 2 3 7 3 4 5 3 7 8 4 3 7 4 5 6 1 6 12 1 2 10 2 1 9 3 2 10 3 4 11 3 7 13 5 4 11 5 6 12 6 1 9 8 7 13 24 !NPHI: dihedrals 1 6 5 4 1 2 3 4 1 2 3 7 2 1 6 5 2 3 4 5 2 3 7 8 6 1 2 3 3 4 5 6 4 3 7 8 5 4 3 7 2 1 6 12 2 3 4 11 2 3 7 13 9 1 2 3 4 3 2 10 4 3 7 13 4 5 6 12 9 1 6 5 6 1 2 10 6 5 4 11 7 3 2 10 7 3 4 11 9 1 6 12 9 1 2 10 6 !NIMPHI: impropers 7 2 3 4 9 1 6 2 1 3 2 10 3 11 4 5 1 12 6 5 3 13 7 8 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms