PSF CHEQ EXT XPLOR 1 !NTITLE 26 !NATOM 1 SYS 1 MOL C1 CALTU -0.041700 12.0100 2 SYS 1 MOL C2 CALTU -0.234800 12.0100 3 SYS 1 MOL C3 CALTU 0.189700 12.0100 4 SYS 1 MOL C4 CALTU -0.159400 12.0100 5 SYS 1 MOL C5 CALTU -0.019000 12.0100 6 SYS 1 MOL C6 CPLTU -0.094100 12.0100 7 SYS 1 MOL C7 CPLTU -0.085000 12.0100 8 SYS 1 MOL C8 CALTU -0.072900 12.0100 9 SYS 1 MOL C9 CALTU -0.181500 12.0100 10 SYS 1 MOL C10 CALTU 0.156200 12.0100 11 SYS 1 MOL C11 CALTU -0.208200 12.0100 12 SYS 1 MOL C12 CALTU 0.164800 12.0100 13 SYS 1 MOL F1 FLTU -0.127300 19.0000 14 SYS 1 MOL F2 FLTU -0.132200 19.0000 15 SYS 1 MOL C13 CLTU 0.661000 12.0100 16 SYS 1 MOL O1 OLTU -0.528300 16.0000 17 SYS 1 MOL O2 OHLTU -0.612600 16.0000 18 SYS 1 MOL O3 OHLTU -0.466400 16.0000 19 SYS 1 MOL H1 HALTU 0.145200 1.0080 20 SYS 1 MOL H2 HALTU 0.141100 1.0080 21 SYS 1 MOL H3 HALTU 0.163500 1.0080 22 SYS 1 MOL H4 HALTU 0.147400 1.0080 23 SYS 1 MOL H5 HALTU 0.155600 1.0080 24 SYS 1 MOL H6 HALTU 0.167700 1.0080 25 SYS 1 MOL H7 HOLTU 0.444600 1.0080 26 SYS 1 MOL H8 HOLTU 0.426400 1.0080 27 !NBOND: bonds 1 6 1 2 2 3 3 4 3 18 4 5 4 15 5 6 6 7 7 12 7 8 8 9 9 10 10 11 10 14 11 12 12 13 15 16 15 17 1 19 2 20 5 21 8 22 9 23 11 24 17 25 18 26 41 !NTHETA: angles 1 6 5 1 6 7 1 2 3 2 1 6 2 3 4 2 3 18 3 4 5 3 4 15 4 3 18 4 5 6 4 15 16 4 15 17 5 4 15 5 6 7 6 7 12 6 7 8 7 12 11 7 12 13 7 8 9 8 7 12 8 9 10 9 10 11 9 10 14 10 11 12 11 10 14 11 12 13 16 15 17 1 2 20 2 1 19 3 2 20 3 18 26 4 5 21 6 1 19 6 5 21 7 8 22 8 9 23 9 8 22 10 9 23 10 11 24 12 11 24 15 17 25 60 !NPHI: dihedrals 1 6 5 4 1 6 7 12 1 6 7 8 1 2 3 4 1 2 3 18 2 1 6 5 2 1 6 7 2 3 4 5 2 3 4 15 6 1 2 3 3 4 5 6 3 4 15 16 3 4 15 17 4 5 6 7 5 4 3 18 5 4 15 16 5 4 15 17 5 6 7 12 5 6 7 8 6 5 4 15 6 7 12 11 6 7 12 13 6 7 8 9 7 12 11 10 7 8 9 10 8 7 12 11 8 7 12 13 8 9 10 11 8 9 10 14 9 8 7 12 9 10 11 12 10 11 12 13 12 11 10 14 15 4 3 18 1 6 5 21 2 3 18 26 19 1 2 3 3 4 5 21 4 3 2 20 4 3 18 26 4 15 17 25 19 1 6 5 6 1 2 20 6 7 8 22 19 1 6 7 7 6 5 21 7 12 11 24 7 8 9 23 9 10 11 24 10 9 8 22 11 10 9 23 12 7 8 22 13 12 11 24 14 10 9 23 14 10 11 24 15 4 5 21 16 15 17 25 18 3 2 20 19 1 2 20 22 8 9 23 13 !NIMPHI: impropers 2 4 3 18 15 3 4 5 1 5 6 7 8 12 7 6 9 11 10 14 11 7 12 13 4 16 15 17 19 1 6 2 1 3 2 20 4 6 5 21 9 7 8 22 8 10 9 23 10 12 11 24 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 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 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms