PSF CHEQ EXT XPLOR 1 !NTITLE 22 !NATOM 1 SYS 1 MOL C1 CPLTU -0.029200 12.0100 2 SYS 1 MOL C2 CALTU 0.053000 12.0100 3 SYS 1 MOL C3 CALTU 0.016000 12.0100 4 SYS 1 MOL C4 CALTU 0.037500 12.0100 5 SYS 1 MOL C5 CALTU 0.016000 12.0100 6 SYS 1 MOL C6 CALTU 0.053000 12.0100 7 SYS 1 MOL Cl1 CLLTU -0.032300 35.4500 8 SYS 1 MOL Cl2 CLLTU -0.027400 35.4500 9 SYS 1 MOL Cl3 CLLTU -0.026900 35.4500 10 SYS 1 MOL Cl4 CLLTU -0.027400 35.4500 11 SYS 1 MOL Cl5 CLLTU -0.032300 35.4500 12 SYS 1 MOL C7 CPLTU -0.029100 12.0100 13 SYS 1 MOL C8 CALTU 0.053000 12.0100 14 SYS 1 MOL C9 CALTU 0.016000 12.0100 15 SYS 1 MOL C10 CALTU 0.037500 12.0100 16 SYS 1 MOL C11 CALTU 0.016000 12.0100 17 SYS 1 MOL C12 CALTU 0.053000 12.0100 18 SYS 1 MOL Cl6 CLLTU -0.032300 35.4500 19 SYS 1 MOL Cl7 CLLTU -0.027400 35.4500 20 SYS 1 MOL Cl8 CLLTU -0.026900 35.4500 21 SYS 1 MOL Cl9 CLLTU -0.027400 35.4500 22 SYS 1 MOL Cl10 CLLTU -0.032300 35.4500 23 !NBOND: bonds 1 6 1 2 1 12 2 3 2 11 3 4 3 10 4 5 4 9 5 6 5 8 6 7 12 17 12 13 13 14 13 22 14 15 14 21 15 16 15 20 16 17 16 19 17 18 36 !NTHETA: angles 1 6 5 1 6 7 1 2 3 1 2 11 1 12 17 1 12 13 2 1 6 2 1 12 2 3 4 2 3 10 3 2 11 3 4 5 3 4 9 4 3 10 4 5 6 4 5 8 5 4 9 5 6 7 6 1 12 6 5 8 12 17 16 12 17 18 12 13 14 12 13 22 13 12 17 13 14 15 13 14 21 14 13 22 14 15 16 14 15 20 15 14 21 15 16 17 15 16 19 16 15 20 16 17 18 17 16 19 52 !NPHI: dihedrals 1 6 5 4 1 6 5 8 1 2 3 4 1 2 3 10 1 12 17 16 1 12 17 18 1 12 13 14 1 12 13 22 2 1 6 5 2 1 6 7 2 1 12 17 2 1 12 13 2 3 4 5 2 3 4 9 6 1 2 3 12 1 2 3 3 4 5 6 3 4 5 8 4 3 2 11 4 5 6 7 5 4 3 10 12 1 6 5 6 1 2 11 6 1 12 17 6 1 12 13 6 5 4 9 12 1 6 7 7 6 5 8 8 5 4 9 9 4 3 10 10 3 2 11 12 1 2 11 12 17 16 15 12 17 16 19 12 13 14 15 12 13 14 21 13 12 17 16 13 12 17 18 13 14 15 16 13 14 15 20 14 13 12 17 14 15 16 17 14 15 16 19 15 14 13 22 15 16 17 18 16 15 14 21 17 12 13 22 17 16 15 20 18 17 16 19 19 16 15 20 20 15 14 21 21 14 13 22 12 !NIMPHI: impropers 12 1 6 2 1 2 11 3 2 4 3 10 3 5 4 9 4 6 5 8 1 6 7 5 1 12 17 13 14 22 13 12 13 15 14 21 14 16 15 20 15 17 16 19 16 18 17 12 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 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 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms