1.1 --- a/VF2PPLabel/Molecules.16.txt Tue Nov 22 15:21:38 2016 +0100
1.2 +++ b/VF2PPLabel/Molecules.16.txt Tue Nov 22 19:30:15 2016 +0100
1.3 @@ -1,83 +1,83 @@
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1.5 -18 0.00497957
1.6 -19 0.00457816
1.7 -20 0.00490217
1.8 -21 0.00498796
1.9 -22 0.00517449
1.10 -23 0.00517936
1.11 -24 0.0052692
1.12 -25 0.00542249
1.13 -26 0.00539213
1.14 -27 0.005525
1.15 -28 0.00576781
1.16 -29 0.00580222
1.17 -30 0.00599601
1.18 -31 0.00625101
1.19 -32 0.00624525
1.20 -33 0.00689798
1.21 -34 0.00697065
1.22 -35 0.0071004
1.23 -36 0.00728739
1.24 -37 0.00760899
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1.28 -41 0.00762517
1.29 -42 0.00879167
1.30 -43 0.00871841
1.31 -44 0.00851803
1.32 -45 0.0095854
1.33 -46 0.00951061
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1.40 -53 0.0107853
1.41 -54 0.0110835
1.42 -55 0.011421
1.43 -56 0.00975198
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1.85 -98 0.0190333
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1.105 +35 0.00600198
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1.108 +38 0.00674011
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1.138 +68 0.0102162
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1.140 +70 0.0104926
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1.145 +75 0.00884444
1.146 +76 0.00995758
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1.148 +78 0.0102861
1.149 +79 0.0109879
1.150 +80 0.0106214
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1.156 +86 0.0125889
1.157 +87 0.0110833
1.158 +88 0.0140444
1.159 +89 0.00937333
1.160 +90 0.0143667
1.161 +91 0.0123051
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1.163 +93 0.011375
1.164 +94 0.0116667
1.165 +95 0.00964444
1.166 +96 0.01198
1.167 +97 0.0131111
1.168 +98 0.0161667
1.169 +99 0.00996667