PSF CHEQ EXT XPLOR 1 !NTITLE 26 !NATOM 1 SYS 1 MOL C1 C3LTU -0.094900 12.0100 2 SYS 1 MOL C2 C3LTU -0.057700 12.0100 3 SYS 1 MOL C3 C3LTU -0.094900 12.0100 4 SYS 1 MOL C4 C3LTU -0.065300 12.0100 5 SYS 1 MOL C5 C3LTU -0.048500 12.0100 6 SYS 1 MOL C6 C3LTU -0.088300 12.0100 7 SYS 1 MOL C7 C3LTU -0.088300 12.0100 8 SYS 1 MOL C8 C3LTU -0.088300 12.0100 9 SYS 1 MOL H1 HCLTU 0.033700 1.0080 10 SYS 1 MOL H2 HCLTU 0.033700 1.0080 11 SYS 1 MOL H3 HCLTU 0.033700 1.0080 12 SYS 1 MOL H4 HCLTU 0.050700 1.0080 13 SYS 1 MOL H5 HCLTU 0.033700 1.0080 14 SYS 1 MOL H6 HCLTU 0.033700 1.0080 15 SYS 1 MOL H7 HCLTU 0.033700 1.0080 16 SYS 1 MOL H8 HCLTU 0.035400 1.0080 17 SYS 1 MOL H9 HCLTU 0.035400 1.0080 18 SYS 1 MOL H10 HCLTU 0.033600 1.0080 19 SYS 1 MOL H11 HCLTU 0.033600 1.0080 20 SYS 1 MOL H12 HCLTU 0.033600 1.0080 21 SYS 1 MOL H13 HCLTU 0.033600 1.0080 22 SYS 1 MOL H14 HCLTU 0.033600 1.0080 23 SYS 1 MOL H15 HCLTU 0.033600 1.0080 24 SYS 1 MOL H16 HCLTU 0.033600 1.0080 25 SYS 1 MOL H17 HCLTU 0.033600 1.0080 26 SYS 1 MOL H18 HCLTU 0.033600 1.0080 25 !NBOND: bonds 1 2 2 3 2 4 4 5 5 6 5 7 5 8 1 9 1 10 1 11 2 12 3 13 3 14 3 15 4 16 4 17 6 18 6 19 6 20 7 21 7 22 7 23 8 24 8 25 8 26 48 !NTHETA: angles 1 2 3 1 2 4 2 4 5 3 2 4 4 5 6 4 5 7 4 5 8 6 5 7 6 5 8 7 5 8 1 2 12 2 1 9 2 1 10 2 1 11 2 3 13 2 3 14 2 3 15 2 4 16 2 4 17 3 2 12 4 2 12 5 4 16 5 4 17 5 6 18 5 6 19 5 6 20 5 7 21 5 7 22 5 7 23 5 8 24 5 8 25 5 8 26 9 1 10 9 1 11 10 1 11 13 3 14 13 3 15 14 3 15 16 4 17 18 6 19 18 6 20 19 6 20 21 7 22 21 7 23 22 7 23 24 8 25 24 8 26 25 8 26 63 !NPHI: dihedrals 1 2 4 5 2 4 5 6 2 4 5 7 2 4 5 8 3 2 4 5 1 2 3 13 1 2 3 14 1 2 3 15 1 2 4 16 1 2 4 17 9 1 2 3 10 1 2 3 11 1 2 3 3 2 4 16 3 2 4 17 9 1 2 4 10 1 2 4 11 1 2 4 4 2 3 13 4 2 3 14 4 2 3 15 4 5 6 18 4 5 6 19 4 5 6 20 4 5 7 21 4 5 7 22 4 5 7 23 4 5 8 24 4 5 8 25 4 5 8 26 5 4 2 12 6 5 4 16 6 5 4 17 6 5 7 21 6 5 7 22 6 5 7 23 6 5 8 24 6 5 8 25 6 5 8 26 7 5 4 16 7 5 4 17 7 5 6 18 7 5 6 19 7 5 6 20 7 5 8 24 7 5 8 25 7 5 8 26 8 5 4 16 8 5 4 17 8 5 6 18 8 5 6 19 8 5 6 20 8 5 7 21 8 5 7 22 8 5 7 23 9 1 2 12 10 1 2 12 11 1 2 12 12 2 3 13 12 2 3 14 12 2 3 15 12 2 4 16 12 2 4 17 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 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