RESP-A1 project. RESP input generated by R.E.D. &cntrl ioutopt=1, iqopt=1, nmol=10, ihfree=1, irstrnt=1, qwt= 0.0005 &end 1.0 MeCOO- -1 7 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 0 3 1 0 4 6 0 5 8 0 6 8 6 7 1.0 MeCOO- -1 7 6 0 1 1 0 2 1 0 3 1 0 4 6 0 5 8 0 6 8 6 7 1.0 Dimethylalanine-dipeptide 0 25 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 0 3 1 0 4 6 0 5 8 0 6 7 0 7 1 0 8 6 0 9 6 0 10 1 0 11 1 0 12 1 0 13 6 0 14 1 0 15 1 0 16 1 0 17 6 0 18 8 0 19 7 0 20 1 0 21 6 0 22 1 0 23 1 0 24 1 0 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 0 3 1 0 4 6 0 5 8 0 6 7 0 7 1 0 8 6 0 9 6 0 10 1 0 11 1 0 12 1 0 13 6 0 14 1 0 15 1 0 16 1 0 17 6 0 18 8 0 19 7 0 20 1 0 21 6 0 22 1 0 23 1 0 24 1 0 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 0 3 1 0 4 6 0 5 8 0 6 7 0 7 1 0 8 6 0 9 6 0 10 1 0 11 1 0 12 1 0 13 6 0 14 1 0 15 1 0 16 1 0 17 6 0 18 8 0 19 7 0 20 1 0 21 6 0 22 1 0 23 1 0 24 1 0 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 0 3 1 0 4 6 0 5 8 0 6 7 0 7 1 0 8 6 0 9 6 0 10 1 0 11 1 0 12 1 0 13 6 0 14 1 0 15 1 0 16 1 0 17 6 0 18 8 0 19 7 0 20 1 0 21 6 0 22 1 0 23 1 0 24 1 0 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 0 3 1 0 4 6 0 5 8 0 6 7 0 7 1 0 8 6 0 9 6 0 10 1 0 11 1 0 12 1 0 13 6 0 14 1 0 15 1 0 16 1 0 17 6 0 18 8 0 19 7 0 20 1 0 21 6 0 22 1 0 23 1 0 24 1 0 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 0 3 1 0 4 6 0 5 8 0 6 7 0 7 1 0 8 6 0 9 6 0 10 1 0 11 1 0 12 1 0 13 6 0 14 1 0 15 1 0 16 1 0 17 6 0 18 8 0 19 7 0 20 1 0 21 6 0 22 1 0 23 1 0 24 1 0 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 0 3 1 0 4 6 0 5 8 0 6 7 0 7 1 0 8 6 0 9 6 0 10 1 0 11 1 0 12 1 0 13 6 0 14 1 0 15 1 0 16 1 0 17 6 0 18 8 0 19 7 0 20 1 0 21 6 0 22 1 0 23 1 0 24 1 0 25 1.0 Dimethylalanine-dipeptide 0 25 6 0 1 1 0 2 1 0 3 1 0 4 6 0 5 8 0 6 7 0 7 1 0 8 6 0 9 6 0 10 1 0 11 1 0 12 1 0 13 6 0 14 1 0 15 1 0 16 1 0 17 6 0 18 8 0 19 7 0 20 1 0 21 6 0 22 1 0 23 1 0 24 1 0 25 Intra and/or inter-molecular charge restraints for atom or group of atoms 6 0.000000 3 1 3 2 3 3 3 4 3 5 3 6 1 -0.382100 3 7 1 0.268100 3 8 12 0.000000 1 1 1 2 1 3 1 4 3 18 3 19 3 20 3 21 3 22 3 23 3 24 3 25 Inter-'molecular' charge equivalencing (i.e. for different orientations or conformations) 2 1 1 2 1 2 1 2 2 2 2 1 3 2 3 2 1 4 2 4 2 1 5 2 5 2 1 6 2 6 8 3 1 4 1 5 1 6 1 7 1 8 1 9 1 10 1 8 3 2 4 2 5 2 6 2 7 2 8 2 9 2 10 2 8 3 3 4 3 5 3 6 3 7 3 8 3 9 3 10 3 8 3 4 4 4 5 4 6 4 7 4 8 4 9 4 10 4 8 3 5 4 5 5 5 6 5 7 5 8 5 9 5 10 5 8 3 6 4 6 5 6 6 6 7 6 8 6 9 6 10 6 8 3 7 4 7 5 7 6 7 7 7 8 7 9 7 10 7 8 3 8 4 8 5 8 6 8 7 8 8 8 9 8 10 8 8 3 9 4 9 5 9 6 9 7 9 8 9 9 9 10 9 8 3 10 4 10 5 10 6 10 7 10 8 10 9 10 10 10 8 3 11 4 11 5 11 6 11 7 11 8 11 9 11 10 11 8 3 12 4 12 5 12 6 12 7 12 8 12 9 12 10 12 8 3 13 4 13 5 13 6 13 7 13 8 13 9 13 10 13 8 3 14 4 14 5 14 6 14 7 14 8 14 9 14 10 14 8 3 15 4 15 5 15 6 15 7 15 8 15 9 15 10 15 8 3 16 4 16 5 16 6 16 7 16 8 16 9 16 10 16 8 3 17 4 17 5 17 6 17 7 17 8 17 9 17 10 17 8 3 18 4 18 5 18 6 18 7 18 8 18 9 18 10 18 8 3 19 4 19 5 19 6 19 7 19 8 19 9 19 10 19 8 3 20 4 20 5 20 6 20 7 20 8 20 9 20 10 20 8 3 21 4 21 5 21 6 21 7 21 8 21 9 21 10 21 8 3 22 4 22 5 22 6 22 7 22 8 22 9 22 10 22 8 3 23 4 23 5 23 6 23 7 23 8 23 9 23 10 23 8 3 24 4 24 5 24 6 24 7 24 8 24 9 24 10 24 8 3 25 4 25 5 25 6 25 7 25 8 25 9 25 10 25