PSF CHEQ EXT XPLOR 1 !NTITLE 26 !NATOM 1 SYS 1 MOL C1 C3LTU -0.093300 12.0100 2 SYS 1 MOL C2 C3LTU -0.081500 12.0100 3 SYS 1 MOL C3 C3LTU -0.079100 12.0100 4 SYS 1 MOL C4 C3LTU -0.075400 12.0100 5 SYS 1 MOL C5 C3LTU -0.116300 12.0100 6 SYS 1 MOL C6 C3LTU 0.139800 12.0100 7 SYS 1 MOL O1 OSLTU -0.461400 16.0000 8 SYS 1 MOL C7 CLTU 0.637700 12.0100 9 SYS 1 MOL O2 OLTU -0.513900 16.0000 10 SYS 1 MOL C8 C3LTU -0.161800 12.0100 11 SYS 1 MOL H1 HCLTU 0.032900 1.0080 12 SYS 1 MOL H2 HCLTU 0.032900 1.0080 13 SYS 1 MOL H3 HCLTU 0.032900 1.0080 14 SYS 1 MOL H4 HCLTU 0.037800 1.0080 15 SYS 1 MOL H5 HCLTU 0.037800 1.0080 16 SYS 1 MOL H6 HCLTU 0.043700 1.0080 17 SYS 1 MOL H7 HCLTU 0.043700 1.0080 18 SYS 1 MOL H8 HCLTU 0.041400 1.0080 19 SYS 1 MOL H9 HCLTU 0.041400 1.0080 20 SYS 1 MOL H10 HCLTU 0.050300 1.0080 21 SYS 1 MOL H11 HCLTU 0.050300 1.0080 22 SYS 1 MOL H12 H1LTU 0.067300 1.0080 23 SYS 1 MOL H13 H1LTU 0.067300 1.0080 24 SYS 1 MOL H14 HCLTU 0.075100 1.0080 25 SYS 1 MOL H15 HCLTU 0.075100 1.0080 26 SYS 1 MOL H16 HCLTU 0.075100 1.0080 25 !NBOND: bonds 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 8 10 1 11 1 12 1 13 2 14 2 15 3 16 3 17 4 18 4 19 5 20 5 21 6 22 6 23 10 24 10 25 10 26 46 !NTHETA: angles 1 2 3 2 3 4 3 4 5 4 5 6 5 6 7 6 7 8 7 8 9 7 8 10 9 8 10 1 2 14 1 2 15 2 1 11 2 1 12 2 1 13 2 3 16 2 3 17 3 2 14 3 2 15 3 4 18 3 4 19 4 3 16 4 3 17 4 5 20 4 5 21 5 4 18 5 4 19 5 6 22 5 6 23 6 5 20 6 5 21 7 6 22 7 6 23 8 10 24 8 10 25 8 10 26 11 1 12 11 1 13 12 1 13 14 2 15 16 3 17 18 4 19 20 5 21 22 6 23 24 10 25 24 10 26 25 10 26 56 !NPHI: dihedrals 1 2 3 4 2 3 4 5 3 4 5 6 4 5 6 7 5 6 7 8 6 7 8 9 6 7 8 10 1 2 3 16 1 2 3 17 2 3 4 18 2 3 4 19 11 1 2 3 12 1 2 3 13 1 2 3 3 4 5 20 3 4 5 21 4 3 2 14 4 3 2 15 4 5 6 22 4 5 6 23 5 4 3 16 5 4 3 17 6 5 4 18 6 5 4 19 7 6 5 20 7 6 5 21 7 8 10 24 7 8 10 25 7 8 10 26 8 7 6 22 8 7 6 23 9 8 10 24 9 8 10 25 9 8 10 26 11 1 2 14 11 1 2 15 12 1 2 14 12 1 2 15 13 1 2 14 13 1 2 15 14 2 3 16 14 2 3 17 15 2 3 16 15 2 3 17 16 3 4 18 16 3 4 19 17 3 4 18 17 3 4 19 18 4 5 20 18 4 5 21 19 4 5 20 19 4 5 21 20 5 6 22 20 5 6 23 21 5 6 22 21 5 6 23 1 !NIMPHI: impropers 10 9 8 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 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