1.1 --- a/VF2PPLabel/Molecules.32.txt Tue Nov 22 15:21:38 2016 +0100
1.2 +++ b/VF2PPLabel/Molecules.32.txt Tue Nov 22 19:30:15 2016 +0100
1.3 @@ -1,67 +1,67 @@
1.4 -33 0.0088516
1.5 -34 0.00871218
1.6 -35 0.0089019
1.7 -36 0.00892661
1.8 -37 0.00934135
1.9 -38 0.00913992
1.10 -39 0.00895817
1.11 -40 0.00898657
1.12 -41 0.0089698
1.13 -42 0.00909578
1.14 -43 0.0090297
1.15 -44 0.00885774
1.16 -45 0.00909905
1.17 -46 0.00958855
1.18 -47 0.00956703
1.19 -48 0.00926321
1.20 -49 0.00936667
1.21 -50 0.00983
1.22 -51 0.00912033
1.23 -52 0.00949344
1.24 -53 0.00911119
1.25 -54 0.00914
1.26 -55 0.00945057
1.27 -56 0.00956949
1.28 -57 0.00904509
1.29 -58 0.00987424
1.30 -59 0.010091
1.31 -60 0.0103461
1.32 -61 0.00987214
1.33 -62 0.00994378
1.34 -63 0.009666
1.35 -64 0.00969488
1.36 -65 0.0093088
1.37 -66 0.00976769
1.38 -67 0.01016
1.39 -68 0.0121153
1.40 -69 0.0117707
1.41 -70 0.00960222
1.42 -71 0.00937429
1.43 -72 0.012058
1.44 -73 0.00929667
1.45 -74 0.0134867
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1.52 -81 0.009868
1.53 -82 0.0111771
1.54 -83 0.010328
1.55 -84 0.0130733
1.56 -85 0.0105133
1.57 -86 0.00898667
1.58 -87 0.00873
1.59 -88 0.0101533
1.60 -89 0.017912
1.61 -90 0.0109867
1.62 -91 0.0100846
1.63 -92 0.00897333
1.64 -93 0.009015
1.65 -94 0.0101
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1.68 -97 0.01419
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1.73 +35 0.00884504
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1.75 +37 0.00941698
1.76 +38 0.00922895
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1.78 +40 0.0089036
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1.80 +42 0.00922549
1.81 +43 0.00899478
1.82 +44 0.00889602
1.83 +45 0.00911746
1.84 +46 0.00969848
1.85 +47 0.00971832
1.86 +48 0.00942704
1.87 +49 0.00931358
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1.98 +60 0.0104592
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1.100 +62 0.00999009
1.101 +63 0.009742
1.102 +64 0.00978682
1.103 +65 0.009328
1.104 +66 0.0100385
1.105 +67 0.0103741
1.106 +68 0.012723
1.107 +69 0.012375
1.108 +70 0.00987778
1.109 +71 0.00975238
1.110 +72 0.01215
1.111 +73 0.00913889
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1.113 +75 0.0120389
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1.115 +77 0.0124455
1.116 +78 0.0128972
1.117 +79 0.0115697
1.118 +80 0.0113905
1.119 +81 0.00996667
1.120 +82 0.0116429
1.121 +83 0.0105867
1.122 +84 0.0137806
1.123 +85 0.0108111
1.124 +86 0.00912222
1.125 +87 0.0087
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1.127 +89 0.01912
1.128 +90 0.0113
1.129 +91 0.0105256
1.130 +92 0.00912222
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1.132 +94 0.0102
1.133 +95 0.0181667
1.134 +96 0.00922
1.135 +97 0.0143111
1.136 +98 0.00963333
1.137 +99 0.0113167