RESP-C2 project. RESP input generated by R.E.D. &cntrl ioutopt=1, iqopt=1, nmol=84, ihfree=1, irstrnt=1, qwt= 0.0100 &end 1.0 2-methoxyethanol 0 13 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 1 0 3 1 0 4 8 0 5 6 0 6 1 0 7 1 0 8 6 6 9 1 7 10 1 8 11 8 0 12 1 0 13 1.0 2-methoxyethanol 0 13 6 0 1 1 0 2 1 0 3 1 0 4 8 0 5 6 0 6 1 0 7 1 0 8 6 6 9 1 7 10 1 8 11 8 0 12 1 0 13 1.0 2-methoxyethanol 0 13 6 0 1 1 0 2 1 0 3 1 0 4 8 0 5 6 0 6 1 0 7 1 0 8 6 6 9 1 7 10 1 8 11 8 0 12 1 0 13 1.0 2-methoxyethanol 0 13 6 0 1 1 0 2 1 0 3 1 0 4 8 0 5 6 0 6 1 0 7 1 0 8 6 6 9 1 7 10 1 8 11 8 0 12 1 0 13 1.0 2-methoxyethanol 0 13 6 0 1 1 0 2 1 0 3 1 0 4 8 0 5 6 0 6 1 0 7 1 0 8 6 6 9 1 7 10 1 8 11 8 0 12 1 0 13 1.0 2-methoxyethanol 0 13 6 0 1 1 0 2 1 0 3 1 0 4 8 0 5 6 0 6 1 0 7 1 0 8 6 6 9 1 7 10 1 8 11 8 0 12 1 0 13 1.0 2-methoxyethanol 0 13 6 0 1 1 0 2 1 0 3 1 0 4 8 0 5 6 0 6 1 0 7 1 0 8 6 6 9 1 7 10 1 8 11 8 0 12 1 0 13 1.0 2-methoxyethanol 0 13 6 0 1 1 0 2 1 0 3 1 0 4 8 0 5 6 0 6 1 0 7 1 0 8 6 6 9 1 7 10 1 8 11 8 0 12 1 0 13 1.0 2-(1-methyl-1H-1,2,3-triazol-4-yl)ethanol 0 18 Column not used by RESP (Added by R.E.D. for information) 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 1 0 7 1 0 8 6 0 9 7 0 10 7 0 11 7 0 12 6 0 13 1 0 14 6 0 15 1 0 16 1 0 17 1 0 18 1.0 2-(1-methyl-1H-1,2,3-triazol-4-yl)ethanol 0 18 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 1 0 7 1 0 8 6 0 9 7 0 10 7 0 11 7 0 12 6 0 13 1 0 14 6 0 15 1 0 16 1 0 17 1 0 18 1.0 2-(1-methyl-1H-1,2,3-triazol-4-yl)ethanol 0 18 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 1 0 7 1 0 8 6 0 9 7 0 10 7 0 11 7 0 12 6 0 13 1 0 14 6 0 15 1 0 16 1 0 17 1 0 18 1.0 2-(1-methyl-1H-1,2,3-triazol-4-yl)ethanol 0 18 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 1 0 7 1 0 8 6 0 9 7 0 10 7 0 11 7 0 12 6 0 13 1 0 14 6 0 15 1 0 16 1 0 17 1 0 18 1.0 2-(1-methyl-1H-1,2,3-triazol-4-yl)ethanol 0 18 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 1 0 7 1 0 8 6 0 9 7 0 10 7 0 11 7 0 12 6 0 13 1 0 14 6 0 15 1 0 16 1 0 17 1 0 18 1.0 2-(1-methyl-1H-1,2,3-triazol-4-yl)ethanol 0 18 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 1 0 7 1 0 8 6 0 9 7 0 10 7 0 11 7 0 12 6 0 13 1 0 14 6 0 15 1 0 16 1 0 17 1 0 18 1.0 2-(1-methyl-1H-1,2,3-triazol-4-yl)ethanol 0 18 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 1 0 7 1 0 8 6 0 9 7 0 10 7 0 11 7 0 12 6 0 13 1 0 14 6 0 15 1 0 16 1 0 17 1 0 18 1.0 2-(1-methyl-1H-1,2,3-triazol-4-yl)ethanol 0 18 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 1 0 7 1 0 8 6 0 9 7 0 10 7 0 11 7 0 12 6 0 13 1 0 14 6 0 15 1 0 16 1 0 17 1 0 18 1.0 (1-methyl-1H-1,2,3-triazol-4-yl)methanol 0 15 Column not used by RESP (Added by R.E.D. for information) 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 7 0 7 7 0 8 7 0 9 6 0 10 1 0 11 6 0 12 1 0 13 1 0 14 1 0 15 1.0 (1-methyl-1H-1,2,3-triazol-4-yl)methanol 0 15 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 7 0 7 7 0 8 7 0 9 6 0 10 1 0 11 6 0 12 1 0 13 1 0 14 1 0 15 1.0 (1-methyl-1H-1,2,3-triazol-4-yl)methanol 0 15 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 7 0 7 7 0 8 7 0 9 6 0 10 1 0 11 6 0 12 1 0 13 1 0 14 1 0 15 1.0 (1-methyl-1H-1,2,3-triazol-4-yl)methanol 0 15 8 0 1 1 0 2 6 0 3 1 0 4 1 0 5 6 0 6 7 0 7 7 0 8 7 0 9 6 0 10 1 0 11 6 0 12 1 0 13 1 0 14 1 0 15 1.0 alpha-OMe-D-Galactose 0 27 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Galactose 0 27 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Galactose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-D-Glucose 0 24 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 alpha-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 alpha-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 alpha-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 alpha-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 alpha-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 alpha-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 alpha-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 alpha-OMe-D-Glucose 0 27 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-D-Glucose 0 24 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 beta-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 beta-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 beta-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 beta-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 beta-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 beta-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 beta-D-Glucose 0 24 6 0 1 1 0 2 8 0 3 1 0 4 6 0 5 1 0 6 8 0 7 1 0 8 6 0 9 1 0 10 8 0 11 1 0 12 6 0 13 1 0 14 8 0 15 1 0 16 6 0 17 1 0 18 8 0 19 6 0 20 1 0 21 1 0 22 8 0 23 1 0 24 1.0 beta-OMe-D-Glucose 0 27 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Glucose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Mannose 0 27 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 alpha-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Mannose 0 27 Column not used by RESP (Added by R.E.D. for information) 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 1.0 beta-OMe-D-Mannose 0 27 6 0 1 1 0 2 8 0 3 6 0 4 1 0 5 8 0 6 1 0 7 6 0 8 1 0 9 8 0 10 1 0 11 6 0 12 1 0 13 8 0 14 1 0 15 6 0 16 1 0 17 8 0 18 6 0 19 1 0 20 1 0 21 8 0 22 1 0 23 6 0 24 1 0 25 1 0 26 1 0 27 Intra and/or inter-molecular charge constraints for atom or group of atoms 1 0.000000 1 7 1 0.000000 1 8 1 0.000000 1 10 1 0.000000 1 11 6 0.000000 1 1 1 2 1 3 1 4 1 12 1 13 1 0.000000 9 4 1 0.000000 9 5 1 0.000000 9 7 1 0.000000 9 8 1 0.000000 17 4 1 0.000000 17 5 1 0.000000 21 2 1 0.000000 21 5 1 0.000000 21 9 1 0.000000 21 13 1 0.000000 21 17 1 0.000000 21 20 1 0.000000 21 21 1 0.000000 29 2 1 0.000000 29 5 1 0.000000 29 9 1 0.000000 29 13 1 0.000000 29 17 1 0.000000 29 20 1 0.000000 29 21 1 0.000000 37 2 1 0.000000 37 6 1 0.000000 37 10 1 0.000000 37 14 1 0.000000 37 18 1 0.000000 37 21 1 0.000000 37 22 1 0.000000 45 2 1 0.000000 45 5 1 0.000000 45 9 1 0.000000 45 13 1 0.000000 45 17 1 0.000000 45 20 1 0.000000 45 21 6 0.000000 45 14 45 15 45 24 45 25 45 26 45 27 1 0.000000 53 2 1 0.000000 53 6 1 0.000000 53 10 1 0.000000 53 14 1 0.000000 53 18 1 0.000000 53 21 1 0.000000 53 22 1 0.000000 61 2 1 0.000000 61 5 1 0.000000 61 9 1 0.000000 61 13 1 0.000000 61 17 1 0.000000 61 20 1 0.000000 61 21 6 0.000000 61 14 61 15 61 24 61 25 61 26 61 27 1 0.000000 69 2 1 0.000000 69 5 1 0.000000 69 9 1 0.000000 69 13 1 0.000000 69 17 1 0.000000 69 20 1 0.000000 69 21 1 0.000000 77 2 1 0.000000 77 5 1 0.000000 77 9 1 0.000000 77 13 1 0.000000 77 17 1 0.000000 77 20 1 0.000000 77 21 6 0.000000 1 1 1 2 1 3 1 4 9 1 9 2 6 0.000000 1 1 1 2 1 3 1 4 17 1 17 2 6 0.000000 1 1 1 2 1 3 1 4 45 22 45 23 6 0.000000 1 1 1 2 1 3 1 4 61 22 61 23 6 0.000000 1 1 1 2 1 3 1 4 37 23 37 24 6 0.000000 1 1 1 2 1 3 1 4 53 23 53 24 6 0.000000 1 1 1 2 1 3 1 4 37 3 37 4 6 0.000000 1 1 1 2 1 3 1 4 53 3 53 4 6 0.000000 1 12 1 13 21 24 21 25 21 26 21 27 6 0.000000 1 12 1 13 29 24 29 25 29 26 29 27 6 0.000000 1 12 1 13 45 24 45 25 45 26 45 27 6 0.000000 1 12 1 13 61 24 61 25 61 26 61 27 6 0.000000 1 12 1 13 69 24 69 25 69 26 69 27 6 0.000000 1 12 1 13 77 24 77 25 77 26 77 27 6 0.000000 29 24 29 25 29 26 29 27 61 14 61 15 6 0.000000 29 24 29 25 29 26 29 27 45 14 45 15 6 0.000000 37 15 37 16 45 24 45 25 45 26 45 27 6 0.000000 37 15 37 16 61 24 61 25 61 26 61 27 6 0.000000 45 24 45 25 45 26 45 27 53 15 53 16 6 0.000000 53 15 53 16 61 24 61 25 61 26 61 27 6 0.000000 9 15 9 16 9 17 9 18 45 22 45 23 6 0.000000 9 15 9 16 9 17 9 18 61 22 61 23 6 0.000000 9 15 9 16 9 17 9 18 37 23 37 24 6 0.000000 9 15 9 16 9 17 9 18 53 23 53 24 6 0.000000 9 15 9 16 9 17 9 18 37 3 37 4 6 0.000000 9 15 9 16 9 17 9 18 53 3 53 4 6 0.000000 17 12 17 13 17 14 17 15 45 22 45 23 6 0.000000 17 12 17 13 17 14 17 15 61 22 61 23 6 0.000000 17 12 17 13 17 14 17 15 37 23 37 24 6 0.000000 17 12 17 13 17 14 17 15 53 23 53 24 6 0.000000 17 12 17 13 17 14 17 15 37 3 37 4 6 0.000000 17 12 17 13 17 14 17 15 53 3 53 4 6 0.000000 9 1 9 2 21 24 21 25 21 26 21 27 6 0.000000 9 1 9 2 29 24 29 25 29 26 29 27 6 0.000000 9 1 9 2 45 24 45 25 45 26 45 27 6 0.000000 9 1 9 2 61 24 61 25 61 26 61 27 6 0.000000 9 1 9 2 69 24 69 25 69 26 69 27 6 0.000000 9 1 9 2 77 24 77 25 77 26 77 27 6 0.000000 17 1 17 2 21 24 21 25 21 26 21 27 6 0.000000 17 1 17 2 29 24 29 25 29 26 29 27 6 0.000000 17 1 17 2 45 24 45 25 45 26 45 27 6 0.000000 17 1 17 2 61 24 61 25 61 26 61 27 6 0.000000 17 1 17 2 69 24 69 25 69 26 69 27 6 0.000000 17 1 17 2 77 24 77 25 77 26 77 27 Inter-'molecular' charge equivalencing (i. e. for different orientations or conformations) 8 1 1 2 1 3 1 4 1 5 1 6 1 7 1 8 1 8 1 2 2 2 3 2 4 2 5 2 6 2 7 2 8 2 8 1 3 2 3 3 3 4 3 5 3 6 3 7 3 8 3 8 1 4 2 4 3 4 4 4 5 4 6 4 7 4 8 4 8 1 5 2 5 3 5 4 5 5 5 6 5 7 5 8 5 8 1 6 2 6 3 6 4 6 5 6 6 6 7 6 8 6 8 1 7 2 7 3 7 4 7 5 7 6 7 7 7 8 7 8 1 8 2 8 3 8 4 8 5 8 6 8 7 8 8 8 8 1 12 2 12 3 12 4 12 5 12 6 12 7 12 8 12 8 1 13 2 13 3 13 4 13 5 13 6 13 7 13 8 13 8 9 1 10 1 11 1 12 1 13 1 14 1 15 1 16 1 8 9 2 10 2 11 2 12 2 13 2 14 2 15 2 16 2 8 9 3 10 3 11 3 12 3 13 3 14 3 15 3 16 3 8 9 4 10 4 11 4 12 4 13 4 14 4 15 4 16 4 8 9 5 10 5 11 5 12 5 13 5 14 5 15 5 16 5 8 9 6 10 6 11 6 12 6 13 6 14 6 15 6 16 6 8 9 7 10 7 11 7 12 7 13 7 14 7 15 7 16 7 8 9 8 10 8 11 8 12 8 13 8 14 8 15 8 16 8 8 9 9 10 9 11 9 12 9 13 9 14 9 15 9 16 9 8 9 10 10 10 11 10 12 10 13 10 14 10 15 10 16 10 8 9 11 10 11 11 11 12 11 13 11 14 11 15 11 16 11 8 9 12 10 12 11 12 12 12 13 12 14 12 15 12 16 12 8 9 13 10 13 11 13 12 13 13 13 14 13 15 13 16 13 8 9 14 10 14 11 14 12 14 13 14 14 14 15 14 16 14 8 9 15 10 15 11 15 12 15 13 15 14 15 15 15 16 15 8 9 16 10 16 11 16 12 16 13 16 14 16 15 16 16 16 8 9 17 10 17 11 17 12 17 13 17 14 17 15 17 16 17 8 9 18 10 18 11 18 12 18 13 18 14 18 15 18 16 18 4 17 1 18 1 19 1 20 1 4 17 2 18 2 19 2 20 2 4 17 3 18 3 19 3 20 3 4 17 4 18 4 19 4 20 4 4 17 5 18 5 19 5 20 5 4 17 6 18 6 19 6 20 6 4 17 7 18 7 19 7 20 7 4 17 8 18 8 19 8 20 8 4 17 9 18 9 19 9 20 9 4 17 10 18 10 19 10 20 10 4 17 11 18 11 19 11 20 11 4 17 12 18 12 19 12 20 12 4 17 13 18 13 19 13 20 13 4 17 14 18 14 19 14 20 14 4 17 15 18 15 19 15 20 15 8 21 1 22 1 23 1 24 1 25 1 26 1 27 1 28 1 8 21 2 22 2 23 2 24 2 25 2 26 2 27 2 28 2 8 21 3 22 3 23 3 24 3 25 3 26 3 27 3 28 3 8 21 4 22 4 23 4 24 4 25 4 26 4 27 4 28 4 8 21 5 22 5 23 5 24 5 25 5 26 5 27 5 28 5 8 21 6 22 6 23 6 24 6 25 6 26 6 27 6 28 6 8 21 7 22 7 23 7 24 7 25 7 26 7 27 7 28 7 8 21 8 22 8 23 8 24 8 25 8 26 8 27 8 28 8 8 21 9 22 9 23 9 24 9 25 9 26 9 27 9 28 9 8 21 10 22 10 23 10 24 10 25 10 26 10 27 10 28 10 8 21 11 22 11 23 11 24 11 25 11 26 11 27 11 28 11 8 21 12 22 12 23 12 24 12 25 12 26 12 27 12 28 12 8 21 13 22 13 23 13 24 13 25 13 26 13 27 13 28 13 8 21 14 22 14 23 14 24 14 25 14 26 14 27 14 28 14 8 21 15 22 15 23 15 24 15 25 15 26 15 27 15 28 15 8 21 16 22 16 23 16 24 16 25 16 26 16 27 16 28 16 8 21 17 22 17 23 17 24 17 25 17 26 17 27 17 28 17 8 21 18 22 18 23 18 24 18 25 18 26 18 27 18 28 18 8 21 19 22 19 23 19 24 19 25 19 26 19 27 19 28 19 8 21 20 22 20 23 20 24 20 25 20 26 20 27 20 28 20 8 21 21 22 21 23 21 24 21 25 21 26 21 27 21 28 21 8 21 22 22 22 23 22 24 22 25 22 26 22 27 22 28 22 8 21 23 22 23 23 23 24 23 25 23 26 23 27 23 28 23 8 21 24 22 24 23 24 24 24 25 24 26 24 27 24 28 24 8 21 25 22 25 23 25 24 25 25 25 26 25 27 25 28 25 8 21 26 22 26 23 26 24 26 25 26 26 26 27 26 28 26 8 21 27 22 27 23 27 24 27 25 27 26 27 27 27 28 27 8 29 1 30 1 31 1 32 1 33 1 34 1 35 1 36 1 8 29 2 30 2 31 2 32 2 33 2 34 2 35 2 36 2 8 29 3 30 3 31 3 32 3 33 3 34 3 35 3 36 3 8 29 4 30 4 31 4 32 4 33 4 34 4 35 4 36 4 8 29 5 30 5 31 5 32 5 33 5 34 5 35 5 36 5 8 29 6 30 6 31 6 32 6 33 6 34 6 35 6 36 6 8 29 7 30 7 31 7 32 7 33 7 34 7 35 7 36 7 8 29 8 30 8 31 8 32 8 33 8 34 8 35 8 36 8 8 29 9 30 9 31 9 32 9 33 9 34 9 35 9 36 9 8 29 10 30 10 31 10 32 10 33 10 34 10 35 10 36 10 8 29 11 30 11 31 11 32 11 33 11 34 11 35 11 36 11 8 29 12 30 12 31 12 32 12 33 12 34 12 35 12 36 12 8 29 13 30 13 31 13 32 13 33 13 34 13 35 13 36 13 8 29 14 30 14 31 14 32 14 33 14 34 14 35 14 36 14 8 29 15 30 15 31 15 32 15 33 15 34 15 35 15 36 15 8 29 16 30 16 31 16 32 16 33 16 34 16 35 16 36 16 8 29 17 30 17 31 17 32 17 33 17 34 17 35 17 36 17 8 29 18 30 18 31 18 32 18 33 18 34 18 35 18 36 18 8 29 19 30 19 31 19 32 19 33 19 34 19 35 19 36 19 8 29 20 30 20 31 20 32 20 33 20 34 20 35 20 36 20 8 29 21 30 21 31 21 32 21 33 21 34 21 35 21 36 21 8 29 22 30 22 31 22 32 22 33 22 34 22 35 22 36 22 8 29 23 30 23 31 23 32 23 33 23 34 23 35 23 36 23 8 29 24 30 24 31 24 32 24 33 24 34 24 35 24 36 24 8 29 25 30 25 31 25 32 25 33 25 34 25 35 25 36 25 8 29 26 30 26 31 26 32 26 33 26 34 26 35 26 36 26 8 29 27 30 27 31 27 32 27 33 27 34 27 35 27 36 27 8 37 1 38 1 39 1 40 1 41 1 42 1 43 1 44 1 8 37 2 38 2 39 2 40 2 41 2 42 2 43 2 44 2 8 37 3 38 3 39 3 40 3 41 3 42 3 43 3 44 3 8 37 4 38 4 39 4 40 4 41 4 42 4 43 4 44 4 8 37 5 38 5 39 5 40 5 41 5 42 5 43 5 44 5 8 37 6 38 6 39 6 40 6 41 6 42 6 43 6 44 6 8 37 7 38 7 39 7 40 7 41 7 42 7 43 7 44 7 8 37 8 38 8 39 8 40 8 41 8 42 8 43 8 44 8 8 37 9 38 9 39 9 40 9 41 9 42 9 43 9 44 9 8 37 10 38 10 39 10 40 10 41 10 42 10 43 10 44 10 8 37 11 38 11 39 11 40 11 41 11 42 11 43 11 44 11 8 37 12 38 12 39 12 40 12 41 12 42 12 43 12 44 12 8 37 13 38 13 39 13 40 13 41 13 42 13 43 13 44 13 8 37 14 38 14 39 14 40 14 41 14 42 14 43 14 44 14 8 37 15 38 15 39 15 40 15 41 15 42 15 43 15 44 15 8 37 16 38 16 39 16 40 16 41 16 42 16 43 16 44 16 8 37 17 38 17 39 17 40 17 41 17 42 17 43 17 44 17 8 37 18 38 18 39 18 40 18 41 18 42 18 43 18 44 18 8 37 19 38 19 39 19 40 19 41 19 42 19 43 19 44 19 8 37 20 38 20 39 20 40 20 41 20 42 20 43 20 44 20 8 37 21 38 21 39 21 40 21 41 21 42 21 43 21 44 21 8 37 22 38 22 39 22 40 22 41 22 42 22 43 22 44 22 8 37 23 38 23 39 23 40 23 41 23 42 23 43 23 44 23 8 37 24 38 24 39 24 40 24 41 24 42 24 43 24 44 24 8 45 1 46 1 47 1 48 1 49 1 50 1 51 1 52 1 8 45 2 46 2 47 2 48 2 49 2 50 2 51 2 52 2 8 45 3 46 3 47 3 48 3 49 3 50 3 51 3 52 3 8 45 4 46 4 47 4 48 4 49 4 50 4 51 4 52 4 8 45 5 46 5 47 5 48 5 49 5 50 5 51 5 52 5 8 45 6 46 6 47 6 48 6 49 6 50 6 51 6 52 6 8 45 7 46 7 47 7 48 7 49 7 50 7 51 7 52 7 8 45 8 46 8 47 8 48 8 49 8 50 8 51 8 52 8 8 45 9 46 9 47 9 48 9 49 9 50 9 51 9 52 9 8 45 10 46 10 47 10 48 10 49 10 50 10 51 10 52 10 8 45 11 46 11 47 11 48 11 49 11 50 11 51 11 52 11 8 45 12 46 12 47 12 48 12 49 12 50 12 51 12 52 12 8 45 13 46 13 47 13 48 13 49 13 50 13 51 13 52 13 8 45 14 46 14 47 14 48 14 49 14 50 14 51 14 52 14 8 45 15 46 15 47 15 48 15 49 15 50 15 51 15 52 15 8 45 16 46 16 47 16 48 16 49 16 50 16 51 16 52 16 8 45 17 46 17 47 17 48 17 49 17 50 17 51 17 52 17 8 45 18 46 18 47 18 48 18 49 18 50 18 51 18 52 18 8 45 19 46 19 47 19 48 19 49 19 50 19 51 19 52 19 8 45 20 46 20 47 20 48 20 49 20 50 20 51 20 52 20 8 45 21 46 21 47 21 48 21 49 21 50 21 51 21 52 21 8 45 22 46 22 47 22 48 22 49 22 50 22 51 22 52 22 8 45 23 46 23 47 23 48 23 49 23 50 23 51 23 52 23 8 45 24 46 24 47 24 48 24 49 24 50 24 51 24 52 24 8 45 25 46 25 47 25 48 25 49 25 50 25 51 25 52 25 8 45 26 46 26 47 26 48 26 49 26 50 26 51 26 52 26 8 45 27 46 27 47 27 48 27 49 27 50 27 51 27 52 27 8 53 1 54 1 55 1 56 1 57 1 58 1 59 1 60 1 8 53 2 54 2 55 2 56 2 57 2 58 2 59 2 60 2 8 53 3 54 3 55 3 56 3 57 3 58 3 59 3 60 3 8 53 4 54 4 55 4 56 4 57 4 58 4 59 4 60 4 8 53 5 54 5 55 5 56 5 57 5 58 5 59 5 60 5 8 53 6 54 6 55 6 56 6 57 6 58 6 59 6 60 6 8 53 7 54 7 55 7 56 7 57 7 58 7 59 7 60 7 8 53 8 54 8 55 8 56 8 57 8 58 8 59 8 60 8 8 53 9 54 9 55 9 56 9 57 9 58 9 59 9 60 9 8 53 10 54 10 55 10 56 10 57 10 58 10 59 10 60 10 8 53 11 54 11 55 11 56 11 57 11 58 11 59 11 60 11 8 53 12 54 12 55 12 56 12 57 12 58 12 59 12 60 12 8 53 13 54 13 55 13 56 13 57 13 58 13 59 13 60 13 8 53 14 54 14 55 14 56 14 57 14 58 14 59 14 60 14 8 53 15 54 15 55 15 56 15 57 15 58 15 59 15 60 15 8 53 16 54 16 55 16 56 16 57 16 58 16 59 16 60 16 8 53 17 54 17 55 17 56 17 57 17 58 17 59 17 60 17 8 53 18 54 18 55 18 56 18 57 18 58 18 59 18 60 18 8 53 19 54 19 55 19 56 19 57 19 58 19 59 19 60 19 8 53 20 54 20 55 20 56 20 57 20 58 20 59 20 60 20 8 53 21 54 21 55 21 56 21 57 21 58 21 59 21 60 21 8 53 22 54 22 55 22 56 22 57 22 58 22 59 22 60 22 8 53 23 54 23 55 23 56 23 57 23 58 23 59 23 60 23 8 53 24 54 24 55 24 56 24 57 24 58 24 59 24 60 24 8 61 1 62 1 63 1 64 1 65 1 66 1 67 1 68 1 8 61 2 62 2 63 2 64 2 65 2 66 2 67 2 68 2 8 61 3 62 3 63 3 64 3 65 3 66 3 67 3 68 3 8 61 4 62 4 63 4 64 4 65 4 66 4 67 4 68 4 8 61 5 62 5 63 5 64 5 65 5 66 5 67 5 68 5 8 61 6 62 6 63 6 64 6 65 6 66 6 67 6 68 6 8 61 7 62 7 63 7 64 7 65 7 66 7 67 7 68 7 8 61 8 62 8 63 8 64 8 65 8 66 8 67 8 68 8 8 61 9 62 9 63 9 64 9 65 9 66 9 67 9 68 9 8 61 10 62 10 63 10 64 10 65 10 66 10 67 10 68 10 8 61 11 62 11 63 11 64 11 65 11 66 11 67 11 68 11 8 61 12 62 12 63 12 64 12 65 12 66 12 67 12 68 12 8 61 13 62 13 63 13 64 13 65 13 66 13 67 13 68 13 8 61 14 62 14 63 14 64 14 65 14 66 14 67 14 68 14 8 61 15 62 15 63 15 64 15 65 15 66 15 67 15 68 15 8 61 16 62 16 63 16 64 16 65 16 66 16 67 16 68 16 8 61 17 62 17 63 17 64 17 65 17 66 17 67 17 68 17 8 61 18 62 18 63 18 64 18 65 18 66 18 67 18 68 18 8 61 19 62 19 63 19 64 19 65 19 66 19 67 19 68 19 8 61 20 62 20 63 20 64 20 65 20 66 20 67 20 68 20 8 61 21 62 21 63 21 64 21 65 21 66 21 67 21 68 21 8 61 22 62 22 63 22 64 22 65 22 66 22 67 22 68 22 8 61 23 62 23 63 23 64 23 65 23 66 23 67 23 68 23 8 61 24 62 24 63 24 64 24 65 24 66 24 67 24 68 24 8 61 25 62 25 63 25 64 25 65 25 66 25 67 25 68 25 8 61 26 62 26 63 26 64 26 65 26 66 26 67 26 68 26 8 61 27 62 27 63 27 64 27 65 27 66 27 67 27 68 27 8 69 1 70 1 71 1 72 1 73 1 74 1 75 1 76 1 8 69 2 70 2 71 2 72 2 73 2 74 2 75 2 76 2 8 69 3 70 3 71 3 72 3 73 3 74 3 75 3 76 3 8 69 4 70 4 71 4 72 4 73 4 74 4 75 4 76 4 8 69 5 70 5 71 5 72 5 73 5 74 5 75 5 76 5 8 69 6 70 6 71 6 72 6 73 6 74 6 75 6 76 6 8 69 7 70 7 71 7 72 7 73 7 74 7 75 7 76 7 8 69 8 70 8 71 8 72 8 73 8 74 8 75 8 76 8 8 69 9 70 9 71 9 72 9 73 9 74 9 75 9 76 9 8 69 10 70 10 71 10 72 10 73 10 74 10 75 10 76 10 8 69 11 70 11 71 11 72 11 73 11 74 11 75 11 76 11 8 69 12 70 12 71 12 72 12 73 12 74 12 75 12 76 12 8 69 13 70 13 71 13 72 13 73 13 74 13 75 13 76 13 8 69 14 70 14 71 14 72 14 73 14 74 14 75 14 76 14 8 69 15 70 15 71 15 72 15 73 15 74 15 75 15 76 15 8 69 16 70 16 71 16 72 16 73 16 74 16 75 16 76 16 8 69 17 70 17 71 17 72 17 73 17 74 17 75 17 76 17 8 69 18 70 18 71 18 72 18 73 18 74 18 75 18 76 18 8 69 19 70 19 71 19 72 19 73 19 74 19 75 19 76 19 8 69 20 70 20 71 20 72 20 73 20 74 20 75 20 76 20 8 69 21 70 21 71 21 72 21 73 21 74 21 75 21 76 21 8 69 22 70 22 71 22 72 22 73 22 74 22 75 22 76 22 8 69 23 70 23 71 23 72 23 73 23 74 23 75 23 76 23 8 69 24 70 24 71 24 72 24 73 24 74 24 75 24 76 24 8 69 25 70 25 71 25 72 25 73 25 74 25 75 25 76 25 8 69 26 70 26 71 26 72 26 73 26 74 26 75 26 76 26 8 69 27 70 27 71 27 72 27 73 27 74 27 75 27 76 27 8 77 1 78 1 79 1 80 1 81 1 82 1 83 1 84 1 8 77 2 78 2 79 2 80 2 81 2 82 2 83 2 84 2 8 77 3 78 3 79 3 80 3 81 3 82 3 83 3 84 3 8 77 4 78 4 79 4 80 4 81 4 82 4 83 4 84 4 8 77 5 78 5 79 5 80 5 81 5 82 5 83 5 84 5 8 77 6 78 6 79 6 80 6 81 6 82 6 83 6 84 6 8 77 7 78 7 79 7 80 7 81 7 82 7 83 7 84 7 8 77 8 78 8 79 8 80 8 81 8 82 8 83 8 84 8 8 77 9 78 9 79 9 80 9 81 9 82 9 83 9 84 9 8 77 10 78 10 79 10 80 10 81 10 82 10 83 10 84 10 8 77 11 78 11 79 11 80 11 81 11 82 11 83 11 84 11 8 77 12 78 12 79 12 80 12 81 12 82 12 83 12 84 12 8 77 13 78 13 79 13 80 13 81 13 82 13 83 13 84 13 8 77 14 78 14 79 14 80 14 81 14 82 14 83 14 84 14 8 77 15 78 15 79 15 80 15 81 15 82 15 83 15 84 15 8 77 16 78 16 79 16 80 16 81 16 82 16 83 16 84 16 8 77 17 78 17 79 17 80 17 81 17 82 17 83 17 84 17 8 77 18 78 18 79 18 80 18 81 18 82 18 83 18 84 18 8 77 19 78 19 79 19 80 19 81 19 82 19 83 19 84 19 8 77 20 78 20 79 20 80 20 81 20 82 20 83 20 84 20 8 77 21 78 21 79 21 80 21 81 21 82 21 83 21 84 21 8 77 22 78 22 79 22 80 22 81 22 82 22 83 22 84 22 8 77 23 78 23 79 23 80 23 81 23 82 23 83 23 84 23 8 77 24 78 24 79 24 80 24 81 24 82 24 83 24 84 24 8 77 25 78 25 79 25 80 25 81 25 82 25 83 25 84 25 8 77 26 78 26 79 26 80 26 81 26 82 26 83 26 84 26 8 77 27 78 27 79 27 80 27 81 27 82 27 83 27 84 27 7 Inter-'molecular' charge equivalencing B (i. e. for different molecules) 1 5 21 3 29 3 45 3 61 3 69 3 77 3