diff -r c04b029e623a -r fcb190fd9f56 Orig/Molecules.8.txt --- a/Orig/Molecules.8.txt Tue Nov 22 15:21:38 2016 +0100 +++ b/Orig/Molecules.8.txt Tue Nov 22 19:30:15 2016 +0100 @@ -1,90 +1,90 @@ -10 0.00362222 -11 0.00398 -12 0.0039 -13 0.00376364 -14 0.00443333 -15 0.00385 -16 0.00471301 -17 0.00424035 -18 0.00488602 -19 0.00442644 -20 0.00477781 -21 0.0049817 -22 0.00530661 -23 0.00555603 -24 0.00541107 -25 0.00556826 -26 0.00552901 -27 0.00589544 -28 0.00589352 -29 0.00624727 -30 0.00600751 -31 0.00614257 -32 0.00615823 -33 0.0065738 -34 0.00686808 -35 0.00691319 -36 0.00721727 -37 0.007503 -38 0.00775833 -39 0.00737915 -40 0.00761581 -41 0.00709501 -42 0.00877533 -43 0.00895025 -44 0.00885031 -45 0.0107127 -46 0.00855909 -47 0.00934234 -48 0.0100792 -49 0.0103586 -50 0.0081799 -51 0.00952556 -52 0.0104142 -53 0.0111808 -54 0.0115229 -55 0.0116895 -56 0.0101384 -57 0.0104727 -58 0.0117689 -59 0.0150443 -60 0.0128877 -61 0.0178024 -62 0.0215446 -63 0.016072 -64 0.0139744 -65 0.01676 -66 0.0153436 -67 0.0118056 -68 0.0083902 -69 0.0108595 -70 0.0118519 -71 0.0107095 -72 0.0100633 -73 0.0127556 -74 0.00794769 -75 0.0119556 -76 0.0146121 -77 0.0112273 -78 0.0101306 -79 0.0111788 -80 0.0128524 -81 0.0191867 -82 0.0192524 -83 0.0171933 -84 0.0119861 -85 0.0176111 -86 0.0241222 -87 0.0224167 -88 0.0201778 -89 0.00863333 -90 0.0208833 -91 0.0171949 -92 0.0282278 -93 0.022975 -94 0.0094 -95 0.0108111 -96 0.0197267 -97 0.0200444 -98 0.0239333 -99 0.01085 +10 0.00347222 +11 0.00402 +12 0.00381852 +13 0.0036697 +14 0.00433333 +15 0.00386481 +16 0.00538049 +17 0.0041386 +18 0.00475054 +19 0.0044069 +20 0.00474601 +21 0.00486618 +22 0.0052365 +23 0.00538474 +24 0.00526907 +25 0.00536762 +26 0.00546651 +27 0.00566448 +28 0.00588305 +29 0.00599778 +30 0.00584824 +31 0.00601838 +32 0.00599626 +33 0.00580209 +34 0.00603372 +35 0.00610694 +36 0.00637442 +37 0.00660212 +38 0.00682189 +39 0.00659907 +40 0.0067507 +41 0.00622132 +42 0.00763987 +43 0.00780249 +44 0.00781027 +45 0.00932698 +46 0.00753121 +47 0.00821862 +48 0.00913774 +49 0.00935679 +50 0.00738529 +51 0.00858611 +52 0.00927432 +53 0.010426 +54 0.0105454 +55 0.010831 +56 0.00934802 +57 0.00988242 +58 0.0109288 +59 0.0133333 +60 0.0114246 +61 0.0155173 +62 0.0186491 +63 0.014178 +64 0.0123674 +65 0.014428 +66 0.0144308 +67 0.0109037 +68 0.00829216 +69 0.010031 +70 0.0113333 +71 0.0096381 +72 0.0100433 +73 0.0115389 +74 0.00750509 +75 0.0113667 +76 0.0133394 +77 0.0104788 +78 0.00922778 +79 0.0102848 +80 0.0117452 +81 0.01706 +82 0.0171619 +83 0.0153733 +84 0.0111972 +85 0.0159889 +86 0.0206444 +87 0.02035 +88 0.0177111 +89 0.00801333 +90 0.0184111 +91 0.0157256 +92 0.0239944 +93 0.0203417 +94 0.0088 +95 0.0103444 +96 0.0188667 +97 0.0182833 +98 0.0224333 +99 0.0102