PSF EXT CMAP CHEQ XPLOR 3 !NTITLE * GENERATE CPD ACCORDING TO IC TABLES IN FF * USAGE: RUNCHM READ RESNAME= SEED= FF= ARHL= * DATE: 6/14/19 14:22:39 CREATED BY USER: xu 13 !NATOM 1 CHLB 1 CHLB C1 CG2R61 -0.100000 12.0110 0 0.00000 -0.301140E-02 2 CHLB 1 CHLB H1 HGR62 0.150000 1.00800 0 0.00000 -0.301140E-02 3 CHLB 1 CHLB C2 CG2R61 -0.115000 12.0110 0 0.00000 -0.301140E-02 4 CHLB 1 CHLB H2 HGR61 0.115000 1.00800 0 0.00000 -0.301140E-02 5 CHLB 1 CHLB C3 CG2R61 -0.115000 12.0110 0 0.00000 -0.301140E-02 6 CHLB 1 CHLB H3 HGR61 0.115000 1.00800 0 0.00000 -0.301140E-02 7 CHLB 1 CHLB C4 CG2R61 -0.115000 12.0110 0 0.00000 -0.301140E-02 8 CHLB 1 CHLB H4 HGR61 0.115000 1.00800 0 0.00000 -0.301140E-02 9 CHLB 1 CHLB C5 CG2R61 -0.100000 12.0110 0 0.00000 -0.301140E-02 10 CHLB 1 CHLB H5 HGR62 0.150000 1.00800 0 0.00000 -0.301140E-02 11 CHLB 1 CHLB C6 CG2R61 0.600000E-01 12.0110 0 0.00000 -0.301140E-02 12 CHLB 1 CHLB CL CLGR1 -0.210000 35.4530 0 0.00000 -0.301140E-02 13 CHLB 1 CHLB LP LPH 0.500000E-01 0.00000 -1 0.00000 -0.301140E-02 13 !NBOND: bonds 1 2 1 3 3 4 3 5 5 6 5 7 7 8 7 9 9 10 9 11 11 1 11 12 12 13 18 !NTHETA: angles 2 1 3 2 1 11 3 1 11 1 3 4 1 3 5 4 3 5 3 5 6 3 5 7 6 5 7 5 7 8 5 7 9 8 7 9 7 9 10 7 9 11 10 9 11 1 11 9 1 11 12 9 11 12 24 !NPHI: dihedrals 1 3 5 6 1 3 5 7 1 11 9 7 1 11 9 10 2 1 3 4 2 1 3 5 2 1 11 9 2 1 11 12 3 1 11 9 3 1 11 12 3 5 7 8 3 5 7 9 4 3 1 11 4 3 5 6 4 3 5 7 5 3 1 11 5 7 9 10 5 7 9 11 6 5 7 8 6 5 7 9 7 9 11 12 8 7 9 10 8 7 9 11 10 9 11 12 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 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 3 !NUMLP NUMLPH 2 1 F 1.64000 0.00000 0.00000 13 12 11 0 !NCRTERM: cross-terms