1.1 --- a/VF2PPLabel/Molecules.8.txt Tue Nov 22 15:21:38 2016 +0100
1.2 +++ b/VF2PPLabel/Molecules.8.txt Tue Nov 22 19:30:15 2016 +0100
1.3 @@ -1,90 +1,90 @@
1.4 -10 0.00294444
1.5 -11 0.00335333
1.6 -12 0.00326296
1.7 -13 0.0029697
1.8 -14 0.0038619
1.9 -15 0.00316852
1.10 -16 0.00467317
1.11 -17 0.00336491
1.12 -18 0.00399247
1.13 -19 0.00343103
1.14 -20 0.00379746
1.15 -21 0.00401917
1.16 -22 0.00424404
1.17 -23 0.00455385
1.18 -24 0.00430227
1.19 -25 0.00438118
1.20 -26 0.0043125
1.21 -27 0.00477599
1.22 -28 0.00463905
1.23 -29 0.00498949
1.24 -30 0.00476051
1.25 -31 0.00489679
1.26 -32 0.00487595
1.27 -33 0.00498478
1.28 -34 0.00525414
1.29 -35 0.00535496
1.30 -36 0.00562521
1.31 -37 0.0058427
1.32 -38 0.0060904
1.33 -39 0.00559336
1.34 -40 0.00580219
1.35 -41 0.00510839
1.36 -42 0.00693562
1.37 -43 0.00702164
1.38 -44 0.00703816
1.39 -45 0.00883143
1.40 -46 0.00654909
1.41 -47 0.00756637
1.42 -48 0.00842421
1.43 -49 0.00895123
1.44 -50 0.00595098
1.45 -51 0.00732111
1.46 -52 0.00847158
1.47 -53 0.00977458
1.48 -54 0.0100345
1.49 -55 0.0101695
1.50 -56 0.00800621
1.51 -57 0.00882242
1.52 -58 0.00983616
1.53 -59 0.0136413
1.54 -60 0.0110996
1.55 -61 0.0167488
1.56 -62 0.0209824
1.57 -63 0.0140453
1.58 -64 0.0113163
1.59 -65 0.0134413
1.60 -66 0.0141333
1.61 -67 0.00930463
1.62 -68 0.00553971
1.63 -69 0.00799524
1.64 -70 0.00861481
1.65 -71 0.00766667
1.66 -72 0.0074
1.67 -73 0.00988889
1.68 -74 0.00479676
1.69 -75 0.00911667
1.70 -76 0.0121818
1.71 -77 0.00866061
1.72 -78 0.007075
1.73 -79 0.0079
1.74 -80 0.0098881
1.75 -81 0.01666
1.76 -82 0.0155333
1.77 -83 0.01286
1.78 -84 0.00853333
1.79 -85 0.0151056
1.80 -86 0.0217444
1.81 -87 0.0188167
1.82 -88 0.0170333
1.83 -89 0.00436
1.84 -90 0.0174111
1.85 -91 0.0135821
1.86 -92 0.0233722
1.87 -93 0.0192667
1.88 -94 0.00443333
1.89 -95 0.00635556
1.90 -96 0.0169533
1.91 -97 0.0181278
1.92 -98 0.0229333
1.93 -99 0.00636667
1.94 +10 0.00268889
1.95 +11 0.00311333
1.96 +12 0.00300741
1.97 +13 0.00275455
1.98 +14 0.00347619
1.99 +15 0.00285
1.100 +16 0.00397317
1.101 +17 0.00317895
1.102 +18 0.00372043
1.103 +19 0.00317701
1.104 +20 0.00351549
1.105 +21 0.00370491
1.106 +22 0.00390819
1.107 +23 0.00415897
1.108 +24 0.00395653
1.109 +25 0.00401021
1.110 +26 0.0039662
1.111 +27 0.00438016
1.112 +28 0.00426438
1.113 +29 0.00455394
1.114 +30 0.00436043
1.115 +31 0.00443926
1.116 +32 0.00439726
1.117 +33 0.00409953
1.118 +34 0.00434766
1.119 +35 0.00441468
1.120 +36 0.00464174
1.121 +37 0.00485131
1.122 +38 0.00506186
1.123 +39 0.00463572
1.124 +40 0.00482958
1.125 +41 0.00421406
1.126 +42 0.00581503
1.127 +43 0.00590348
1.128 +44 0.00588113
1.129 +45 0.00746381
1.130 +46 0.00546576
1.131 +47 0.00634474
1.132 +48 0.00709465
1.133 +49 0.00751358
1.134 +50 0.00494902
1.135 +51 0.00618944
1.136 +52 0.00712787
1.137 +53 0.00823842
1.138 +54 0.00843052
1.139 +55 0.00854762
1.140 +56 0.0067
1.141 +57 0.00733455
1.142 +58 0.00828023
1.143 +59 0.0115672
1.144 +60 0.0094
1.145 +61 0.0141952
1.146 +62 0.0179063
1.147 +63 0.0120853
1.148 +64 0.00972326
1.149 +65 0.0117267
1.150 +66 0.0115026
1.151 +67 0.00774259
1.152 +68 0.0044848
1.153 +69 0.00668095
1.154 +70 0.00728889
1.155 +71 0.00632381
1.156 +72 0.00620667
1.157 +73 0.00831667
1.158 +74 0.00392731
1.159 +75 0.00767778
1.160 +76 0.0103606
1.161 +77 0.00719091
1.162 +78 0.00593333
1.163 +79 0.00659394
1.164 +80 0.00830952
1.165 +81 0.0142133
1.166 +82 0.0136857
1.167 +83 0.0112467
1.168 +84 0.00721667
1.169 +85 0.0127667
1.170 +86 0.0188
1.171 +87 0.01675
1.172 +88 0.0148333
1.173 +89 0.00346
1.174 +90 0.0152056
1.175 +91 0.0116359
1.176 +92 0.0207833
1.177 +93 0.0168917
1.178 +94 0.00346667
1.179 +95 0.00527778
1.180 +96 0.0147467
1.181 +97 0.0151556
1.182 +98 0.0199667
1.183 +99 0.00536667