PSF CHEQ EXT XPLOR 1 !NTITLE 23 !NATOM 1 SYS 1 MOL C1 C3LTU -0.097300 12.0100 2 SYS 1 MOL C2 C3LTU -0.079000 12.0100 3 SYS 1 MOL C3 C3LTU -0.077400 12.0100 4 SYS 1 MOL C4 C3LTU -0.132100 12.0100 5 SYS 1 MOL C5 CLTU 0.633300 12.0100 6 SYS 1 MOL O1 OLTU -0.537900 16.0000 7 SYS 1 MOL O2 OSLTU -0.448200 16.0000 8 SYS 1 MOL C6 C3LTU 0.135700 12.0100 9 SYS 1 MOL C7 C3LTU -0.129000 12.0100 10 SYS 1 MOL H1 HCLTU 0.035300 1.0080 11 SYS 1 MOL H2 HCLTU 0.035300 1.0080 12 SYS 1 MOL H3 HCLTU 0.035300 1.0080 13 SYS 1 MOL H4 HCLTU 0.044500 1.0080 14 SYS 1 MOL H5 HCLTU 0.044500 1.0080 15 SYS 1 MOL H6 HCLTU 0.053200 1.0080 16 SYS 1 MOL H7 HCLTU 0.053200 1.0080 17 SYS 1 MOL H8 HCLTU 0.078800 1.0080 18 SYS 1 MOL H9 HCLTU 0.078800 1.0080 19 SYS 1 MOL H10 H1LTU 0.065000 1.0080 20 SYS 1 MOL H11 H1LTU 0.065000 1.0080 21 SYS 1 MOL H12 HCLTU 0.047700 1.0080 22 SYS 1 MOL H13 HCLTU 0.047700 1.0080 23 SYS 1 MOL H14 HCLTU 0.047700 1.0080 22 !NBOND: bonds 1 2 2 3 3 4 4 5 5 6 5 7 7 8 8 9 1 10 1 11 1 12 2 13 2 14 3 15 3 16 4 17 4 18 8 19 8 20 9 21 9 22 9 23 40 !NTHETA: angles 1 2 3 2 3 4 3 4 5 4 5 6 4 5 7 5 7 8 6 5 7 7 8 9 1 2 13 1 2 14 2 1 10 2 1 11 2 1 12 2 3 15 2 3 16 3 2 13 3 2 14 3 4 17 3 4 18 4 3 15 4 3 16 5 4 17 5 4 18 7 8 19 7 8 20 8 9 21 8 9 22 8 9 23 9 8 19 9 8 20 10 1 11 10 1 12 11 1 12 13 2 14 15 3 16 17 4 18 19 8 20 21 9 22 21 9 23 22 9 23 47 !NPHI: dihedrals 1 2 3 4 2 3 4 5 3 4 5 6 3 4 5 7 4 5 7 8 5 7 8 9 6 5 7 8 1 2 3 15 1 2 3 16 2 3 4 17 2 3 4 18 10 1 2 3 11 1 2 3 12 1 2 3 4 3 2 13 4 3 2 14 5 4 3 15 5 4 3 16 5 7 8 19 5 7 8 20 6 5 4 17 6 5 4 18 7 5 4 17 7 5 4 18 7 8 9 21 7 8 9 22 7 8 9 23 10 1 2 13 10 1 2 14 11 1 2 13 11 1 2 14 12 1 2 13 12 1 2 14 13 2 3 15 13 2 3 16 14 2 3 15 14 2 3 16 15 3 4 17 15 3 4 18 16 3 4 17 16 3 4 18 19 8 9 21 19 8 9 22 19 8 9 23 20 8 9 21 20 8 9 22 20 8 9 23 1 !NIMPHI: impropers 4 6 5 7 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 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 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms