PSF CHEQ EXT XPLOR 1 !NTITLE 18 !NATOM 1 SYS 1 MOL C1 C3LTU -0.084000 12.0100 2 SYS 1 MOL C2 C3LTU -0.071600 12.0100 3 SYS 1 MOL C3 C3LTU -0.077500 12.0100 4 SYS 1 MOL C4 C3LTU -0.080700 12.0100 5 SYS 1 MOL C5 C3LTU -0.080700 12.0100 6 SYS 1 MOL C6 C3LTU -0.077500 12.0100 7 SYS 1 MOL H1 HCLTU 0.033500 1.0080 8 SYS 1 MOL H2 HCLTU 0.033500 1.0080 9 SYS 1 MOL H3 HCLTU 0.033500 1.0080 10 SYS 1 MOL H4 HCLTU 0.044400 1.0080 11 SYS 1 MOL H5 HCLTU 0.042000 1.0080 12 SYS 1 MOL H6 HCLTU 0.042000 1.0080 13 SYS 1 MOL H7 HCLTU 0.039800 1.0080 14 SYS 1 MOL H8 HCLTU 0.039800 1.0080 15 SYS 1 MOL H9 HCLTU 0.039800 1.0080 16 SYS 1 MOL H10 HCLTU 0.039800 1.0080 17 SYS 1 MOL H11 HCLTU 0.042000 1.0080 18 SYS 1 MOL H12 HCLTU 0.042000 1.0080 18 !NBOND: bonds 1 2 2 6 2 3 3 4 4 5 5 6 1 7 1 8 1 9 2 10 3 11 3 12 4 13 4 14 5 15 5 16 6 17 6 18 36 !NTHETA: angles 1 2 6 1 2 3 2 6 5 2 3 4 3 2 6 3 4 5 4 5 6 1 2 10 2 1 7 2 1 8 2 1 9 2 6 17 2 6 18 2 3 11 2 3 12 3 2 10 3 4 13 3 4 14 4 3 11 4 3 12 4 5 15 4 5 16 5 4 13 5 4 14 5 6 17 5 6 18 6 2 10 6 5 15 6 5 16 7 1 8 7 1 9 8 1 9 11 3 12 13 4 14 15 5 16 17 6 18 54 !NPHI: dihedrals 1 2 6 5 1 2 3 4 2 6 5 4 2 3 4 5 3 2 6 5 3 4 5 6 4 3 2 6 1 2 6 17 1 2 6 18 1 2 3 11 1 2 3 12 2 6 5 15 2 6 5 16 2 3 4 13 2 3 4 14 7 1 2 3 8 1 2 3 9 1 2 3 3 2 6 17 3 2 6 18 3 4 5 15 3 4 5 16 4 3 2 10 4 5 6 17 4 5 6 18 5 4 3 11 5 4 3 12 5 6 2 10 7 1 2 6 8 1 2 6 9 1 2 6 6 2 3 11 6 2 3 12 6 5 4 13 6 5 4 14 7 1 2 10 8 1 2 10 9 1 2 10 10 2 6 17 10 2 6 18 10 2 3 11 10 2 3 12 11 3 4 13 11 3 4 14 12 3 4 13 12 3 4 14 13 4 5 15 13 4 5 16 14 4 5 15 14 4 5 16 15 5 6 17 15 5 6 18 16 5 6 17 16 5 6 18 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