diff -r 909bcb203f25 -r e9f28d631c8b Orig/Molecules.32.txt --- a/Orig/Molecules.32.txt Sun Nov 27 22:57:56 2016 +0100 +++ b/Orig/Molecules.32.txt Mon Nov 28 20:18:13 2016 +0100 @@ -1,67 +1,67 @@ -33 0.0134917 -34 0.0135908 -35 0.0135646 -36 0.0140229 -37 0.0142718 -38 0.0143859 -39 0.0139722 -40 0.0145357 -41 0.0145816 -42 0.0153587 -43 0.0151555 -44 0.0151428 -45 0.0157902 -46 0.0163021 -47 0.0159859 -48 0.0160582 -49 0.0155605 -50 0.0167245 -51 0.0163078 -52 0.0167781 -53 0.0160842 -54 0.0163972 -55 0.0163176 -56 0.0166588 -57 0.0160473 -58 0.0173237 -59 0.017194 -60 0.0176193 -61 0.0175518 -62 0.017909 -63 0.0174933 -64 0.0173132 -65 0.0189427 -66 0.0205346 -67 0.0200806 -68 0.0228819 -69 0.0196167 -70 0.0205222 -71 0.0195429 -72 0.02139 -73 0.0199167 -74 0.0262449 -75 0.0199444 -76 0.0223879 -77 0.0220091 -78 0.024275 -79 0.0231121 -80 0.0220286 -81 0.02168 -82 0.0227381 -83 0.0226733 -84 0.023875 -85 0.0246389 -86 0.0227667 -87 0.0263 -88 0.0234222 -89 0.02658 -90 0.0245167 -91 0.0237205 -92 0.0221389 -93 0.02375 -94 0.0263 -95 0.0239222 -96 0.0249467 -97 0.0291722 -98 0.0266 -99 0.0226333 +33 0.0145285 +34 0.0146248 +35 0.0146373 +36 0.0151335 +37 0.0153863 +38 0.0154908 +39 0.0150574 +40 0.015628 +41 0.0156771 +42 0.0165245 +43 0.0164072 +44 0.0163214 +45 0.0170429 +46 0.0176345 +47 0.0171583 +48 0.0172381 +49 0.0167796 +50 0.0179922 +51 0.0176139 +52 0.0181049 +53 0.0173124 +54 0.0177301 +55 0.0176476 +56 0.0179345 +57 0.0173006 +58 0.0185876 +59 0.018492 +60 0.0189965 +61 0.0188726 +62 0.0192896 +63 0.0186527 +64 0.0186093 +65 0.0203147 +66 0.0219308 +67 0.021638 +68 0.0243564 +69 0.0209262 +70 0.0219222 +71 0.0207714 +72 0.0229667 +73 0.0218722 +74 0.0280667 +75 0.0213667 +76 0.0238879 +77 0.0235515 +78 0.0261 +79 0.0247727 +80 0.0236429 +81 0.02338 +82 0.0242476 +83 0.02418 +84 0.0256194 +85 0.0262167 +86 0.0243111 +87 0.0277167 +88 0.0251222 +89 0.0285867 +90 0.0261944 +91 0.025359 +92 0.0238389 +93 0.025375 +94 0.028 +95 0.0258111 +96 0.0269467 +97 0.0318556 +98 0.0287667 +99 0.0244333