RESP-A1 project. RESP input generated by R.E.D. &cntrl ioutopt=1, iqopt=2, nmol=8, ihfree=1, irstrnt=1, qwt= 0.001 &end 1.0 Dimethylalanine-dipeptide 0 25 Column not used by RESP (Added by R.E.D. for information) 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 -1 22 1 -1 23 1 -1 24 1 -1 25 1.0 Dimethylalanine-dipeptide 0 25 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 -1 22 1 -1 23 1 -1 24 1 -1 25 1.0 Dimethylalanine-dipeptide 0 25 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 -1 22 1 -1 23 1 -1 24 1 -1 25 1.0 Dimethylalanine-dipeptide 0 25 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 -1 22 1 -1 23 1 -1 24 1 -1 25 1.0 Dimethylalanine-dipeptide 0 25 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 -1 22 1 -1 23 1 -1 24 1 -1 25 1.0 Dimethylalanine-dipeptide 0 25 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 -1 22 1 -1 23 1 -1 24 1 -1 25 1.0 Dimethylalanine-dipeptide 0 25 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 -1 22 1 -1 23 1 -1 24 1 -1 25 1.0 Dimethylalanine-dipeptide 0 25 6 -1 1 1 -1 2 1 -1 3 1 -1 4 6 -1 5 8 -1 6 7 -1 7 1 -1 8 6 -1 9 6 0 10 1 0 11 1 11 12 1 11 13 6 10 14 1 11 15 1 11 16 1 11 17 6 -1 18 8 -1 19 7 -1 20 1 -1 21 6 -1 22 1 -1 23 1 -1 24 1 -1 25 Inter-'molecular' charge equivalencing (i.e. for orientations, conformations or different molecules) 8 1 10 2 10 3 10 4 10 5 10 6 10 7 10 8 10 8 1 11 2 11 3 11 4 11 5 11 6 11 7 11 8 11