PSF CHEQ EXT XPLOR 1 !NTITLE 15 !NATOM 1 SYS 1 MOL C1 CALTU -0.100400 12.0100 2 SYS 1 MOL C2 CALTU -0.106100 12.0100 3 SYS 1 MOL C3 CALTU -0.140300 12.0100 4 SYS 1 MOL C4 CALTU -0.097600 12.0100 5 SYS 1 MOL C5 CALTU 0.119000 12.0100 6 SYS 1 MOL C6 CALTU -0.175400 12.0100 7 SYS 1 MOL O1 OHLTU -0.486200 16.0000 8 SYS 1 MOL N1 NOLTU 0.310900 14.0100 9 SYS 1 MOL O2 OLTU -0.203700 16.0000 10 SYS 1 MOL O3 OLTU -0.203700 16.0000 11 SYS 1 MOL H1 HALTU 0.149500 1.0080 12 SYS 1 MOL H2 HALTU 0.174300 1.0080 13 SYS 1 MOL H3 HALTU 0.187800 1.0080 14 SYS 1 MOL H4 HALTU 0.145400 1.0080 15 SYS 1 MOL H5 HOLTU 0.426300 1.0080 15 !NBOND: bonds 1 6 1 2 2 3 3 4 3 8 4 5 5 6 5 7 8 9 8 10 1 11 2 12 4 13 6 14 7 15 22 !NTHETA: angles 1 6 5 1 2 3 2 1 6 2 3 4 2 3 8 3 4 5 3 8 9 3 8 10 4 3 8 4 5 6 4 5 7 6 5 7 9 8 10 1 6 14 1 2 12 2 1 11 3 2 12 3 4 13 5 4 13 5 6 14 5 7 15 6 1 11 30 !NPHI: dihedrals 1 6 5 4 1 6 5 7 1 2 3 4 1 2 3 8 2 1 6 5 2 3 4 5 2 3 8 9 2 3 8 10 6 1 2 3 3 4 5 6 3 4 5 7 4 3 8 9 4 3 8 10 5 4 3 8 2 1 6 14 2 3 4 13 11 1 2 3 4 3 2 12 4 5 6 14 4 5 7 15 11 1 6 5 6 1 2 12 6 5 4 13 6 5 7 15 7 5 4 13 7 5 6 14 8 3 2 12 8 3 4 13 11 1 6 14 11 1 2 12 6 !NIMPHI: impropers 2 4 3 8 4 6 5 7 11 1 6 2 1 3 2 12 3 5 4 13 1 5 6 14 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