1.1 --- a/Orig/Molecules.32.txt	Sun Nov 27 22:57:56 2016 +0100
     1.2 +++ b/Orig/Molecules.32.txt	Mon Nov 28 20:18:13 2016 +0100
     1.3 @@ -1,67 +1,67 @@
     1.4 -33	0.0134917
     1.5 -34	0.0135908
     1.6 -35	0.0135646
     1.7 -36	0.0140229
     1.8 -37	0.0142718
     1.9 -38	0.0143859
    1.10 -39	0.0139722
    1.11 -40	0.0145357
    1.12 -41	0.0145816
    1.13 -42	0.0153587
    1.14 -43	0.0151555
    1.15 -44	0.0151428
    1.16 -45	0.0157902
    1.17 -46	0.0163021
    1.18 -47	0.0159859
    1.19 -48	0.0160582
    1.20 -49	0.0155605
    1.21 -50	0.0167245
    1.22 -51	0.0163078
    1.23 -52	0.0167781
    1.24 -53	0.0160842
    1.25 -54	0.0163972
    1.26 -55	0.0163176
    1.27 -56	0.0166588
    1.28 -57	0.0160473
    1.29 -58	0.0173237
    1.30 -59	0.017194
    1.31 -60	0.0176193
    1.32 -61	0.0175518
    1.33 -62	0.017909
    1.34 -63	0.0174933
    1.35 -64	0.0173132
    1.36 -65	0.0189427
    1.37 -66	0.0205346
    1.38 -67	0.0200806
    1.39 -68	0.0228819
    1.40 -69	0.0196167
    1.41 -70	0.0205222
    1.42 -71	0.0195429
    1.43 -72	0.02139
    1.44 -73	0.0199167
    1.45 -74	0.0262449
    1.46 -75	0.0199444
    1.47 -76	0.0223879
    1.48 -77	0.0220091
    1.49 -78	0.024275
    1.50 -79	0.0231121
    1.51 -80	0.0220286
    1.52 -81	0.02168
    1.53 -82	0.0227381
    1.54 -83	0.0226733
    1.55 -84	0.023875
    1.56 -85	0.0246389
    1.57 -86	0.0227667
    1.58 -87	0.0263
    1.59 -88	0.0234222
    1.60 -89	0.02658
    1.61 -90	0.0245167
    1.62 -91	0.0237205
    1.63 -92	0.0221389
    1.64 -93	0.02375
    1.65 -94	0.0263
    1.66 -95	0.0239222
    1.67 -96	0.0249467
    1.68 -97	0.0291722
    1.69 -98	0.0266
    1.70 -99	0.0226333
    1.71 +33	0.0145285
    1.72 +34	0.0146248
    1.73 +35	0.0146373
    1.74 +36	0.0151335
    1.75 +37	0.0153863
    1.76 +38	0.0154908
    1.77 +39	0.0150574
    1.78 +40	0.015628
    1.79 +41	0.0156771
    1.80 +42	0.0165245
    1.81 +43	0.0164072
    1.82 +44	0.0163214
    1.83 +45	0.0170429
    1.84 +46	0.0176345
    1.85 +47	0.0171583
    1.86 +48	0.0172381
    1.87 +49	0.0167796
    1.88 +50	0.0179922
    1.89 +51	0.0176139
    1.90 +52	0.0181049
    1.91 +53	0.0173124
    1.92 +54	0.0177301
    1.93 +55	0.0176476
    1.94 +56	0.0179345
    1.95 +57	0.0173006
    1.96 +58	0.0185876
    1.97 +59	0.018492
    1.98 +60	0.0189965
    1.99 +61	0.0188726
   1.100 +62	0.0192896
   1.101 +63	0.0186527
   1.102 +64	0.0186093
   1.103 +65	0.0203147
   1.104 +66	0.0219308
   1.105 +67	0.021638
   1.106 +68	0.0243564
   1.107 +69	0.0209262
   1.108 +70	0.0219222
   1.109 +71	0.0207714
   1.110 +72	0.0229667
   1.111 +73	0.0218722
   1.112 +74	0.0280667
   1.113 +75	0.0213667
   1.114 +76	0.0238879
   1.115 +77	0.0235515
   1.116 +78	0.0261
   1.117 +79	0.0247727
   1.118 +80	0.0236429
   1.119 +81	0.02338
   1.120 +82	0.0242476
   1.121 +83	0.02418
   1.122 +84	0.0256194
   1.123 +85	0.0262167
   1.124 +86	0.0243111
   1.125 +87	0.0277167
   1.126 +88	0.0251222
   1.127 +89	0.0285867
   1.128 +90	0.0261944
   1.129 +91	0.025359
   1.130 +92	0.0238389
   1.131 +93	0.025375
   1.132 +94	0.028
   1.133 +95	0.0258111
   1.134 +96	0.0269467
   1.135 +97	0.0318556
   1.136 +98	0.0287667
   1.137 +99	0.0244333