PSF CHEQ EXT XPLOR 1 !NTITLE 18 !NATOM 1 SYS 1 MOL C1 C3LTU -0.091800 12.0100 2 SYS 1 MOL C2 C3LTU -0.079000 12.0100 3 SYS 1 MOL C3 C3LTU -0.072100 12.0100 4 SYS 1 MOL C4 C3LTU 0.139500 12.0100 5 SYS 1 MOL H1 H1LTU 0.028500 1.0080 6 SYS 1 MOL C5 C3LTU -0.130600 12.0100 7 SYS 1 MOL O1 OHLTU -0.599700 16.0000 8 SYS 1 MOL H2 HCLTU 0.032000 1.0080 9 SYS 1 MOL H3 HCLTU 0.032000 1.0080 10 SYS 1 MOL H4 HCLTU 0.032000 1.0080 11 SYS 1 MOL H5 HCLTU 0.047000 1.0080 12 SYS 1 MOL H6 HCLTU 0.047000 1.0080 13 SYS 1 MOL H7 HCLTU 0.046100 1.0080 14 SYS 1 MOL H8 HCLTU 0.046100 1.0080 15 SYS 1 MOL H9 HCLTU 0.042100 1.0080 16 SYS 1 MOL H10 HCLTU 0.042100 1.0080 17 SYS 1 MOL H11 HCLTU 0.042100 1.0080 18 SYS 1 MOL H12 HOLTU 0.396700 1.0080 17 !NBOND: bonds 1 2 2 3 3 4 4 6 4 7 1 8 1 9 1 10 2 11 2 12 3 13 3 14 4 5 6 15 6 16 6 17 7 18 31 !NTHETA: angles 1 2 3 2 3 4 3 4 6 3 4 7 6 4 7 1 2 11 1 2 12 2 1 8 2 1 9 2 1 10 2 3 13 2 3 14 3 2 11 3 2 12 3 4 5 4 3 13 4 3 14 4 6 15 4 6 16 4 6 17 4 7 18 5 4 6 5 4 7 8 1 9 8 1 10 9 1 10 11 2 12 13 3 14 15 6 16 15 6 17 16 6 17 39 !NPHI: dihedrals 1 2 3 4 2 3 4 6 2 3 4 7 1 2 3 13 1 2 3 14 2 3 4 5 8 1 2 3 9 1 2 3 10 1 2 3 3 4 6 15 3 4 6 16 3 4 6 17 3 4 7 18 4 3 2 11 4 3 2 12 5 4 3 13 5 4 3 14 5 4 6 15 5 4 6 16 5 4 6 17 5 4 7 18 6 4 3 13 6 4 3 14 6 4 7 18 7 4 3 13 7 4 3 14 7 4 6 15 7 4 6 16 7 4 6 17 8 1 2 11 8 1 2 12 9 1 2 11 9 1 2 12 10 1 2 11 10 1 2 12 11 2 3 13 11 2 3 14 12 2 3 13 12 2 3 14 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 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms