PSF CHEQ EXT XPLOR 1 !NTITLE 21 !NATOM 1 SYS 1 MOL C1 C3LTU -0.092800 12.0100 2 SYS 1 MOL C2 C3LTU -0.084800 12.0100 3 SYS 1 MOL C3 C3LTU 0.131100 12.0100 4 SYS 1 MOL O1 OSLTU -0.425200 16.0000 5 SYS 1 MOL C4 C3LTU 0.131100 12.0100 6 SYS 1 MOL C5 C3LTU -0.084800 12.0100 7 SYS 1 MOL C6 C3LTU -0.092800 12.0100 8 SYS 1 MOL H1 HCLTU 0.034700 1.0080 9 SYS 1 MOL H2 HCLTU 0.034700 1.0080 10 SYS 1 MOL H3 HCLTU 0.034700 1.0080 11 SYS 1 MOL H4 HCLTU 0.053400 1.0080 12 SYS 1 MOL H5 HCLTU 0.053400 1.0080 13 SYS 1 MOL H6 H1LTU 0.024000 1.0080 14 SYS 1 MOL H7 H1LTU 0.024000 1.0080 15 SYS 1 MOL H8 H1LTU 0.024000 1.0080 16 SYS 1 MOL H9 H1LTU 0.024000 1.0080 17 SYS 1 MOL H10 HCLTU 0.053400 1.0080 18 SYS 1 MOL H11 HCLTU 0.053400 1.0080 19 SYS 1 MOL H12 HCLTU 0.034700 1.0080 20 SYS 1 MOL H13 HCLTU 0.034700 1.0080 21 SYS 1 MOL H14 HCLTU 0.034700 1.0080 20 !NBOND: bonds 1 2 2 3 3 4 4 5 5 6 6 7 1 8 1 9 1 10 2 11 2 12 3 13 3 14 5 15 5 16 6 17 6 18 7 19 7 20 7 21 37 !NTHETA: angles 1 2 3 2 3 4 3 4 5 4 5 6 5 6 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 4 3 13 4 3 14 4 5 15 4 5 16 5 6 17 5 6 18 6 5 15 6 5 16 6 7 19 6 7 20 6 7 21 7 6 17 7 6 18 8 1 9 8 1 10 9 1 10 11 2 12 13 3 14 15 5 16 17 6 18 19 7 20 19 7 21 20 7 21 42 !NPHI: dihedrals 1 2 3 4 2 3 4 5 3 4 5 6 4 5 6 7 1 2 3 13 1 2 3 14 8 1 2 3 9 1 2 3 10 1 2 3 3 4 5 15 3 4 5 16 4 3 2 11 4 3 2 12 4 5 6 17 4 5 6 18 5 4 3 13 5 4 3 14 5 6 7 19 5 6 7 20 5 6 7 21 7 6 5 15 7 6 5 16 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 15 5 6 17 15 5 6 18 16 5 6 17 16 5 6 18 17 6 7 19 17 6 7 20 17 6 7 21 18 6 7 19 18 6 7 20 18 6 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