diff -r 909bcb203f25 -r e9f28d631c8b VF2PPLabel/Molecules.16.txt --- a/VF2PPLabel/Molecules.16.txt Sun Nov 27 22:57:56 2016 +0100 +++ b/VF2PPLabel/Molecules.16.txt Mon Nov 28 20:18:13 2016 +0100 @@ -1,83 +1,83 @@ -17 0.0048 -18 0.00482043 -19 0.00451724 -20 0.00475326 -21 0.00482534 -22 0.00499609 -23 0.00498718 -24 0.00504987 -25 0.0051874 -26 0.00516003 -27 0.00534246 -28 0.00557048 -29 0.0055404 -30 0.00572547 -31 0.00593205 -32 0.0059279 -33 0.00587448 -34 0.00589403 -35 0.00600198 -36 0.00616443 -37 0.00642385 -38 0.00674011 -39 0.00667968 -40 0.00687606 -41 0.0064932 -42 0.00746487 -43 0.00739104 -44 0.00725786 -45 0.00807619 -46 0.00808697 -47 0.00785676 -48 0.00856981 -49 0.00874753 -50 0.00778725 -51 0.00856333 -52 0.00997869 -53 0.00917175 -54 0.00946305 -55 0.00965857 -56 0.0082774 -57 0.00842 -58 0.00918362 -59 0.0140338 -60 0.0119061 -61 0.0183851 -62 0.0224459 -63 0.0138933 -64 0.0112938 -65 0.0119133 -66 0.0118423 -67 0.0102269 -68 0.0102162 -69 0.00922619 -70 0.0104926 -71 0.00971429 -72 0.00774333 -73 0.00916111 -74 0.00950139 -75 0.00884444 -76 0.00995758 -77 0.00998788 -78 0.0102861 -79 0.0109879 -80 0.0106214 -81 0.0111933 -82 0.0122667 -83 0.0120933 -84 0.0105167 -85 0.0111556 -86 0.0125889 -87 0.0110833 -88 0.0140444 -89 0.00937333 -90 0.0143667 -91 0.0123051 -92 0.0129833 -93 0.011375 -94 0.0116667 -95 0.00964444 -96 0.01198 -97 0.0131111 -98 0.0161667 -99 0.00996667 +17 0.00514737 +18 0.00511828 +19 0.00481839 +20 0.00505272 +21 0.00513256 +22 0.0053068 +23 0.00531936 +24 0.00535907 +25 0.00548963 +26 0.00548272 +27 0.00568036 +28 0.00589352 +29 0.00588061 +30 0.00606152 +31 0.00630417 +32 0.00630311 +33 0.00627448 +34 0.00630983 +35 0.00640377 +36 0.00658655 +37 0.00685268 +38 0.00718588 +39 0.00713094 +40 0.00732848 +41 0.00694286 +42 0.00793007 +43 0.0079005 +44 0.00773019 +45 0.0086581 +46 0.00862394 +47 0.00838258 +48 0.00915063 +49 0.00942284 +50 0.00833529 +51 0.00914944 +52 0.0106923 +53 0.00979322 +54 0.0101189 +55 0.0103333 +56 0.00882825 +57 0.00903576 +58 0.00976554 +59 0.0149776 +60 0.0127009 +61 0.0195565 +62 0.0238423 +63 0.01475 +64 0.0119884 +65 0.0125547 +66 0.0124603 +67 0.0108426 +68 0.0108054 +69 0.00980595 +70 0.011063 +71 0.0101762 +72 0.00825667 +73 0.0101 +74 0.0100676 +75 0.00945 +76 0.0105636 +77 0.0105848 +78 0.0110111 +79 0.0116091 +80 0.0113357 +81 0.0120533 +82 0.0128667 +83 0.0132933 +84 0.0111194 +85 0.0118056 +86 0.0133 +87 0.0117833 +88 0.0148778 +89 0.0101133 +90 0.0151111 +91 0.0130205 +92 0.0137778 +93 0.0119333 +94 0.0124333 +95 0.0103556 +96 0.01262 +97 0.0146333 +98 0.0175333 +99 0.01055