PSF CHEQ EXT XPLOR 1 !NTITLE 21 !NATOM 1 SYS 1 MOL C1 C3LTU -0.106800 12.0100 2 SYS 1 MOL C2 C3LTU 0.137300 12.0100 3 SYS 1 MOL C3 C3LTU -0.106800 12.0100 4 SYS 1 MOL O1 OSLTU -0.416900 16.0000 5 SYS 1 MOL C4 C3LTU 0.137300 12.0100 6 SYS 1 MOL C5 C3LTU -0.106800 12.0100 7 SYS 1 MOL C6 C3LTU -0.106800 12.0100 8 SYS 1 MOL H1 HCLTU 0.042000 1.0080 9 SYS 1 MOL H2 HCLTU 0.042000 1.0080 10 SYS 1 MOL H3 HCLTU 0.042000 1.0080 11 SYS 1 MOL H4 H1LTU 0.032800 1.0080 12 SYS 1 MOL H5 HCLTU 0.042000 1.0080 13 SYS 1 MOL H6 HCLTU 0.042000 1.0080 14 SYS 1 MOL H7 HCLTU 0.042000 1.0080 15 SYS 1 MOL H8 H1LTU 0.032800 1.0080 16 SYS 1 MOL H9 HCLTU 0.042000 1.0080 17 SYS 1 MOL H10 HCLTU 0.042000 1.0080 18 SYS 1 MOL H11 HCLTU 0.042000 1.0080 19 SYS 1 MOL H12 HCLTU 0.042000 1.0080 20 SYS 1 MOL H13 HCLTU 0.042000 1.0080 21 SYS 1 MOL H14 HCLTU 0.042000 1.0080 20 !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 5 15 6 16 6 17 6 18 7 19 7 20 7 21 37 !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 3 2 11 4 2 11 4 5 15 5 6 16 5 6 17 5 6 18 5 7 19 5 7 20 5 7 21 6 5 15 7 5 15 8 1 9 8 1 10 9 1 10 12 3 13 12 3 14 13 3 14 16 6 17 16 6 18 17 6 18 19 7 20 19 7 21 20 7 21 42 !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 2 4 5 15 8 1 2 3 9 1 2 3 10 1 2 3 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 6 16 4 5 6 17 4 5 6 18 4 5 7 19 4 5 7 20 4 5 7 21 5 4 2 11 6 5 7 19 6 5 7 20 6 5 7 21 7 5 6 16 7 5 6 17 7 5 6 18 8 1 2 11 9 1 2 11 10 1 2 11 11 2 3 12 11 2 3 13 11 2 3 14 15 5 6 16 15 5 6 17 15 5 6 18 15 5 7 19 15 5 7 20 15 5 7 21 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 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms