PSF CHEQ EXT XPLOR 1 !NTITLE 17 !NATOM 1 SYS 1 MOL C1 C3LTU -0.097100 12.0100 2 SYS 1 MOL C2 C3LTU -0.059500 12.0100 3 SYS 1 MOL C3 C3LTU -0.097100 12.0100 4 SYS 1 MOL C4 C3LTU -0.169000 12.0100 5 SYS 1 MOL C5 CLTU 0.625500 12.0100 6 SYS 1 MOL O1 OLTU -0.486700 16.0000 7 SYS 1 MOL O2 OHLTU -0.586600 16.0000 8 SYS 1 MOL H1 HCLTU 0.040000 1.0080 9 SYS 1 MOL H2 HCLTU 0.040000 1.0080 10 SYS 1 MOL H3 HCLTU 0.040000 1.0080 11 SYS 1 MOL H4 HCLTU 0.072300 1.0080 12 SYS 1 MOL H5 HCLTU 0.040000 1.0080 13 SYS 1 MOL H6 HCLTU 0.040000 1.0080 14 SYS 1 MOL H7 HCLTU 0.040000 1.0080 15 SYS 1 MOL H8 HCLTU 0.068100 1.0080 16 SYS 1 MOL H9 HCLTU 0.068100 1.0080 17 SYS 1 MOL H10 HOLTU 0.422100 1.0080 16 !NBOND: bonds 1 2 2 3 2 4 4 5 5 6 5 7 1 8 1 9 1 10 2 11 3 12 3 13 3 14 4 15 4 16 7 17 28 !NTHETA: angles 1 2 3 1 2 4 2 4 5 3 2 4 4 5 6 4 5 7 6 5 7 1 2 11 2 1 8 2 1 9 2 1 10 2 3 12 2 3 13 2 3 14 2 4 15 2 4 16 3 2 11 4 2 11 5 4 15 5 4 16 5 7 17 8 1 9 8 1 10 9 1 10 12 3 13 12 3 14 13 3 14 15 4 16 35 !NPHI: dihedrals 1 2 4 5 2 4 5 6 2 4 5 7 3 2 4 5 1 2 3 12 1 2 3 13 1 2 3 14 1 2 4 15 1 2 4 16 8 1 2 3 9 1 2 3 10 1 2 3 3 2 4 15 3 2 4 16 8 1 2 4 9 1 2 4 10 1 2 4 4 2 3 12 4 2 3 13 4 2 3 14 4 5 7 17 5 4 2 11 6 5 4 15 6 5 4 16 6 5 7 17 7 5 4 15 7 5 4 16 8 1 2 11 9 1 2 11 10 1 2 11 11 2 3 12 11 2 3 13 11 2 3 14 11 2 4 15 11 2 4 16 1 !NIMPHI: impropers 4 6 5 7 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 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms