PSF CHEQ EXT XPLOR 1 !NTITLE 21 !NATOM 1 SYS 1 MOL C1 C3LTU -0.053300 12.0100 2 SYS 1 MOL C2 CALTU -0.071000 12.0100 3 SYS 1 MOL C3 CALTU -0.135300 12.0100 4 SYS 1 MOL C4 CALTU -0.071000 12.0100 5 SYS 1 MOL C5 CALTU -0.135300 12.0100 6 SYS 1 MOL C6 CALTU -0.071000 12.0100 7 SYS 1 MOL C7 CALTU -0.135300 12.0100 8 SYS 1 MOL C8 C3LTU -0.053100 12.0100 9 SYS 1 MOL C9 C3LTU -0.053100 12.0100 10 SYS 1 MOL H1 HCLTU 0.043300 1.0080 11 SYS 1 MOL H2 HCLTU 0.043300 1.0080 12 SYS 1 MOL H3 HCLTU 0.043300 1.0080 13 SYS 1 MOL H4 HALTU 0.129700 1.0080 14 SYS 1 MOL H5 HALTU 0.129700 1.0080 15 SYS 1 MOL H6 HALTU 0.129700 1.0080 16 SYS 1 MOL H7 HCLTU 0.043300 1.0080 17 SYS 1 MOL H8 HCLTU 0.043300 1.0080 18 SYS 1 MOL H9 HCLTU 0.043300 1.0080 19 SYS 1 MOL H10 HCLTU 0.043300 1.0080 20 SYS 1 MOL H11 HCLTU 0.043300 1.0080 21 SYS 1 MOL H12 HCLTU 0.043300 1.0080 21 !NBOND: bonds 1 2 2 7 2 3 3 4 4 5 4 9 5 6 6 7 6 8 1 10 1 11 1 12 3 13 5 14 7 15 8 16 8 17 8 18 9 19 9 20 9 21 36 !NTHETA: angles 1 2 7 1 2 3 2 7 6 2 3 4 3 2 7 3 4 5 3 4 9 4 5 6 5 4 9 5 6 7 5 6 8 7 6 8 2 1 10 2 1 11 2 1 12 2 7 15 2 3 13 4 3 13 4 5 14 4 9 19 4 9 20 4 9 21 6 5 14 6 7 15 6 8 16 6 8 17 6 8 18 10 1 11 10 1 12 11 1 12 16 8 17 16 8 18 17 8 18 19 9 20 19 9 21 20 9 21 42 !NPHI: dihedrals 1 2 7 6 1 2 3 4 2 7 6 5 2 7 6 8 2 3 4 5 2 3 4 9 3 2 7 6 3 4 5 6 4 3 2 7 4 5 6 7 4 5 6 8 6 5 4 9 1 2 7 15 1 2 3 13 10 1 2 3 11 1 2 3 12 1 2 3 3 2 7 15 3 4 5 14 3 4 9 19 3 4 9 20 3 4 9 21 5 4 3 13 5 4 9 19 5 4 9 20 5 4 9 21 5 6 7 15 5 6 8 16 5 6 8 17 5 6 8 18 10 1 2 7 11 1 2 7 12 1 2 7 7 2 3 13 7 6 5 14 7 6 8 16 7 6 8 17 7 6 8 18 8 6 5 14 8 6 7 15 9 4 3 13 9 4 5 14 6 !NIMPHI: impropers 1 2 7 3 9 3 4 5 8 5 6 7 2 4 3 13 4 6 5 14 2 6 7 15 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 1 0 !NGRP NST2 0 2 0 1 !MOLNT 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