diff -r 76dc74f824ba -r 20d1b0e5838f Orig/moleculesIso.txt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/Orig/moleculesIso.txt Tue Nov 22 08:15:16 2016 +0100 @@ -0,0 +1,89 @@ +8 0.00214 +10 0.00289 +11 0.00354 +12 0.00469 +13 0.00355 +14 0.00412 +15 0.00449 +16 0.00418 +17 0.00585 +18 0.00507 +19 0.00426 +20 0.00666 +21 0.00682 +22 0.00644 +23 0.00785 +24 0.00687 +25 0.01061 +26 0.00831 +27 0.00838 +28 0.01307 +29 0.0105 +30 0.01221 +31 0.01033 +32 0.01276 +33 0.01496 +34 0.01311 +35 0.01318 +36 0.01419 +37 0.01445 +38 0.01471 +39 0.01562 +40 0.01423 +41 0.01704 +42 0.01971 +43 0.01602 +44 0.02022 +45 0.01618 +46 0.02056 +47 0.01739 +48 0.01871 +49 0.01775 +50 0.01764 +51 0.01992 +52 0.01969 +53 0.01888 +54 0.01948 +55 0.02089 +56 0.01696 +57 0.01885 +58 0.02133 +59 0.02238 +60 0.0212 +61 0.02596 +62 0.02761 +63 0.02743 +64 0.02153 +65 0.02993 +66 0.03349 +67 0.0314 +68 0.0351 +69 0.0246 +70 0.02679 +71 0.03377 +72 0.0278 +73 0.02835 +74 0.02895 +75 0.02715 +76 0.03037 +77 0.03238 +78 0.03211 +79 0.03462 +80 0.03723 +81 0.03793 +82 0.03227 +83 0.03539 +84 0.03406 +85 0.03441 +86 0.04042 +87 0.03769 +88 0.03697 +89 0.04212 +91 0.03941 +93 0.04149 +94 0.04669 +95 0.04263 +96 0.04419 +97 0.04054 +98 0.04179 +99 0.04812