PSF CHEQ EXT XPLOR 1 !NTITLE 24 !NATOM 1 SYS 1 MOL C1 C3LTU -0.054300 12.0100 2 SYS 1 MOL C2 CALTU -0.070400 12.0100 3 SYS 1 MOL C3 CALTU -0.129600 12.0100 4 SYS 1 MOL C4 CALTU -0.060700 12.0100 5 SYS 1 MOL C5 CALTU -0.034600 12.0100 6 SYS 1 MOL C6 CALTU -0.117300 12.0100 7 SYS 1 MOL C7 CALTU -0.131200 12.0100 8 SYS 1 MOL C8 CALTU -0.127000 12.0100 9 SYS 1 MOL C9 CALTU -0.119600 12.0100 10 SYS 1 MOL C10 CALTU -0.029200 12.0100 11 SYS 1 MOL C11 CALTU -0.127200 12.0100 12 SYS 1 MOL C12 C3LTU -0.056600 12.0100 13 SYS 1 MOL H1 HCLTU 0.044300 1.0080 14 SYS 1 MOL H2 HCLTU 0.044300 1.0080 15 SYS 1 MOL H3 HCLTU 0.044300 1.0080 16 SYS 1 MOL H4 HALTU 0.132000 1.0080 17 SYS 1 MOL H5 HALTU 0.131800 1.0080 18 SYS 1 MOL H6 HALTU 0.131100 1.0080 19 SYS 1 MOL H7 HALTU 0.131200 1.0080 20 SYS 1 MOL H8 HALTU 0.131100 1.0080 21 SYS 1 MOL H9 HALTU 0.131700 1.0080 22 SYS 1 MOL H10 HCLTU 0.045300 1.0080 23 SYS 1 MOL H11 HCLTU 0.045300 1.0080 24 SYS 1 MOL H12 HCLTU 0.045300 1.0080 25 !NBOND: bonds 1 2 2 11 2 3 3 4 4 5 4 12 5 10 5 6 6 7 7 8 8 9 9 10 10 11 1 13 1 14 1 15 3 16 6 17 7 18 8 19 9 20 11 21 12 22 12 23 12 24 42 !NTHETA: angles 1 2 11 1 2 3 2 11 10 2 3 4 3 2 11 3 4 5 3 4 12 4 5 10 4 5 6 5 4 12 5 10 9 5 10 11 5 6 7 6 5 10 6 7 8 7 8 9 8 9 10 9 10 11 2 1 13 2 1 14 2 1 15 2 11 21 2 3 16 4 3 16 4 12 22 4 12 23 4 12 24 5 6 17 6 7 18 7 6 17 7 8 19 8 7 18 8 9 20 9 8 19 10 9 20 10 11 21 13 1 14 13 1 15 14 1 15 22 12 23 22 12 24 23 12 24 56 !NPHI: dihedrals 1 2 11 10 1 2 3 4 2 11 10 5 2 11 10 9 2 3 4 5 2 3 4 12 3 2 11 10 3 4 5 10 3 4 5 6 4 3 2 11 4 5 10 9 4 5 10 11 4 5 6 7 5 10 9 8 5 6 7 8 6 5 4 12 6 5 10 9 6 5 10 11 6 7 8 9 7 6 5 10 7 8 9 10 8 9 10 11 10 5 4 12 1 2 11 21 1 2 3 16 13 1 2 3 14 1 2 3 15 1 2 3 3 2 11 21 3 4 12 22 3 4 12 23 3 4 12 24 4 5 6 17 5 4 3 16 5 4 12 22 5 4 12 23 5 4 12 24 5 10 9 20 5 10 11 21 5 6 7 18 6 7 8 19 7 8 9 20 8 7 6 17 9 8 7 18 9 10 11 21 10 5 6 17 10 9 8 19 13 1 2 11 14 1 2 11 15 1 2 11 11 2 3 16 11 10 9 20 12 4 3 16 17 6 7 18 18 7 8 19 19 8 9 20 10 !NIMPHI: impropers 1 2 11 3 12 3 4 5 4 6 5 10 5 9 10 11 2 4 3 16 5 7 6 17 6 8 7 18 7 9 8 19 8 10 9 20 2 10 11 21 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