PSF CHEQ EXT XPLOR 1 !NTITLE 24 !NATOM 1 SYS 1 MOL C1 C3LTU -0.034800 12.0100 2 SYS 1 MOL C2 C2LTU -0.169900 12.0100 3 SYS 1 MOL C3 C2LTU -0.169900 12.0100 4 SYS 1 MOL C4 C3LTU -0.034800 12.0100 5 SYS 1 MOL C5 C3LTU -0.140600 12.0100 6 SYS 1 MOL H1 HCLTU 0.099100 1.0080 7 SYS 1 MOL C6 C3LTU -0.140600 12.0100 8 SYS 1 MOL H2 HCLTU 0.099100 1.0080 9 SYS 1 MOL C7 CLTU 0.706200 12.0100 10 SYS 1 MOL O1 OLTU -0.525500 16.0000 11 SYS 1 MOL N1 NLTU -0.468400 14.0100 12 SYS 1 MOL C8 CLTU 0.706200 12.0100 13 SYS 1 MOL O2 OLTU -0.525500 16.0000 14 SYS 1 MOL S1 SSLTU 0.102000 32.0600 15 SYS 1 MOL C9 C3LTU 0.232700 12.0100 16 SYS 1 MOL Cl1 CLLTU -0.095600 35.4500 17 SYS 1 MOL Cl2 CLLTU -0.095600 35.4500 18 SYS 1 MOL Cl3 CLLTU -0.095600 35.4500 19 SYS 1 MOL H3 HCLTU 0.070200 1.0080 20 SYS 1 MOL H4 HCLTU 0.070200 1.0080 21 SYS 1 MOL H5 HALTU 0.135300 1.0080 22 SYS 1 MOL H6 HALTU 0.135300 1.0080 23 SYS 1 MOL H7 HCLTU 0.070200 1.0080 24 SYS 1 MOL H8 HCLTU 0.070200 1.0080 25 !NBOND: bonds 1 7 1 2 2 3 3 4 4 5 5 12 5 7 7 9 9 10 9 11 11 12 11 14 12 13 14 15 15 16 15 17 15 18 1 19 1 20 2 21 3 22 4 23 4 24 5 6 7 8 46 !NTHETA: angles 1 7 5 1 7 9 1 2 3 2 1 7 2 3 4 3 4 5 4 5 12 4 5 7 5 12 11 5 12 13 5 7 9 7 5 12 7 9 10 7 9 11 9 11 12 9 11 14 10 9 11 11 12 13 11 14 15 12 11 14 14 15 16 14 15 17 14 15 18 16 15 17 16 15 18 17 15 18 1 7 8 1 2 21 2 1 19 2 1 20 2 3 22 3 2 21 3 4 23 3 4 24 4 3 22 4 5 6 5 4 23 5 4 24 5 7 8 6 5 12 6 5 7 7 1 19 7 1 20 8 7 9 19 1 20 23 4 24 68 !NPHI: dihedrals 1 7 5 4 1 7 5 12 1 7 9 10 1 7 9 11 1 2 3 4 2 1 7 5 2 1 7 9 2 3 4 5 7 1 2 3 3 4 5 12 3 4 5 7 4 5 12 11 4 5 12 13 4 5 7 9 5 12 11 9 5 12 11 14 5 7 9 10 5 7 9 11 7 5 12 11 7 5 12 13 7 9 11 12 7 9 11 14 9 7 5 12 9 11 12 13 9 11 14 15 10 9 11 12 10 9 11 14 11 14 15 16 11 14 15 17 11 14 15 18 12 11 14 15 13 12 11 14 1 7 5 6 1 2 3 22 2 1 7 8 2 3 4 23 2 3 4 24 19 1 2 3 20 1 2 3 3 4 5 6 4 3 2 21 4 5 7 8 5 4 3 22 19 1 7 5 20 1 7 5 6 5 4 23 6 5 4 24 6 5 12 11 6 5 12 13 6 5 7 8 6 5 7 9 7 1 2 21 7 5 4 23 7 5 4 24 19 1 7 8 20 1 7 8 8 7 5 12 8 7 9 10 8 7 9 11 19 1 7 9 20 1 7 9 12 5 4 23 12 5 4 24 19 1 2 21 20 1 2 21 21 2 3 22 22 3 4 23 22 3 4 24 5 !NIMPHI: impropers 7 11 9 10 9 12 11 14 5 11 12 13 3 1 2 21 2 4 3 22 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 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms