PSF CHEQ EXT XPLOR 1 !NTITLE 25 !NATOM 1 SYS 1 MOL C1 C3LTU -0.093300 12.0100 2 SYS 1 MOL C2 C3LTU -0.077500 12.0100 3 SYS 1 MOL C3 C3LTU -0.079900 12.0100 4 SYS 1 MOL C4 C3LTU 0.131100 12.0100 5 SYS 1 MOL O1 OSLTU -0.427700 16.0000 6 SYS 1 MOL C5 C3LTU 0.132100 12.0100 7 SYS 1 MOL C6 C3LTU 0.139900 12.0100 8 SYS 1 MOL H1 H1LTU 0.045200 1.0080 9 SYS 1 MOL C7 C3LTU -0.128500 12.0100 10 SYS 1 MOL O2 OHLTU -0.606700 16.0000 11 SYS 1 MOL H2 HCLTU 0.031500 1.0080 12 SYS 1 MOL H3 HCLTU 0.031500 1.0080 13 SYS 1 MOL H4 HCLTU 0.031500 1.0080 14 SYS 1 MOL H5 HCLTU 0.046700 1.0080 15 SYS 1 MOL H6 HCLTU 0.046700 1.0080 16 SYS 1 MOL H7 HCLTU 0.047100 1.0080 17 SYS 1 MOL H8 HCLTU 0.047100 1.0080 18 SYS 1 MOL H9 H1LTU 0.029600 1.0080 19 SYS 1 MOL H10 H1LTU 0.029600 1.0080 20 SYS 1 MOL H11 H1LTU 0.039900 1.0080 21 SYS 1 MOL H12 H1LTU 0.039900 1.0080 22 SYS 1 MOL H13 HCLTU 0.046600 1.0080 23 SYS 1 MOL H14 HCLTU 0.046600 1.0080 24 SYS 1 MOL H15 HCLTU 0.046600 1.0080 25 SYS 1 MOL H16 HOLTU 0.404100 1.0080 24 !NBOND: bonds 1 2 2 3 3 4 4 5 5 6 6 7 7 9 7 10 1 11 1 12 1 13 2 14 2 15 3 16 3 17 4 18 4 19 6 20 6 21 7 8 9 22 9 23 9 24 10 25 44 !NTHETA: angles 1 2 3 2 3 4 3 4 5 4 5 6 5 6 7 6 7 9 6 7 10 9 7 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 5 4 18 5 4 19 5 6 20 5 6 21 6 7 8 7 6 20 7 6 21 7 9 22 7 9 23 7 9 24 7 10 25 8 7 9 8 7 10 11 1 12 11 1 13 12 1 13 14 2 15 16 3 17 18 4 19 20 6 21 22 9 23 22 9 24 23 9 24 54 !NPHI: dihedrals 1 2 3 4 2 3 4 5 3 4 5 6 4 5 6 7 5 6 7 9 5 6 7 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 4 3 2 14 4 3 2 15 4 5 6 20 4 5 6 21 5 4 3 16 5 4 3 17 5 6 7 8 6 5 4 18 6 5 4 19 6 7 9 22 6 7 9 23 6 7 9 24 6 7 10 25 8 7 6 20 8 7 6 21 8 7 9 22 8 7 9 23 8 7 9 24 8 7 10 25 9 7 6 20 9 7 6 21 9 7 10 25 10 7 6 20 10 7 6 21 10 7 9 22 10 7 9 23 10 7 9 24 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 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 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms