1.1 --- a/Orig/Molecules.64.txt	Tue Nov 22 15:21:38 2016 +0100
     1.2 +++ b/Orig/Molecules.64.txt	Tue Nov 22 19:30:15 2016 +0100
     1.3 @@ -1,35 +1,35 @@
     1.4 -65	0.0419733
     1.5 -66	0.0440936
     1.6 -67	0.0383759
     1.7 -68	0.0331088
     1.8 -69	0.0365476
     1.9 -70	0.0364593
    1.10 -71	0.0340333
    1.11 -72	0.0344667
    1.12 -73	0.0367556
    1.13 -74	0.0340264
    1.14 -75	0.0374222
    1.15 -76	0.0372697
    1.16 -77	0.0370636
    1.17 -78	0.0367472
    1.18 -79	0.0379667
    1.19 -80	0.0390786
    1.20 -81	0.04476
    1.21 -82	0.0386952
    1.22 -83	0.04104
    1.23 -84	0.0513278
    1.24 -85	0.0638222
    1.25 -86	0.0395556
    1.26 -87	0.03925
    1.27 -88	0.0399
    1.28 -89	0.03898
    1.29 -90	0.0404944
    1.30 -91	0.0412667
    1.31 -92	0.0432
    1.32 -93	0.0427083
    1.33 -94	0.0488
    1.34 -95	0.0416222
    1.35 -96	0.0439133
    1.36 -97	0.0421222
    1.37 -98	0.0440333
    1.38 -99	0.0404
    1.39 +65	0.0415667
    1.40 +66	0.0430154
    1.41 +67	0.0388648
    1.42 +68	0.0346265
    1.43 +69	0.0374714
    1.44 +70	0.0379519
    1.45 +71	0.0352
    1.46 +72	0.03577
    1.47 +73	0.0378778
    1.48 +74	0.0356
    1.49 +75	0.0386
    1.50 +76	0.0381515
    1.51 +77	0.038503
    1.52 +78	0.0379778
    1.53 +79	0.0388879
    1.54 +80	0.0403452
    1.55 +81	0.0450867
    1.56 +82	0.0403619
    1.57 +83	0.0419267
    1.58 +84	0.0498472
    1.59 +85	0.05925
    1.60 +86	0.0406444
    1.61 +87	0.0404333
    1.62 +88	0.0414889
    1.63 +89	0.0398867
    1.64 +90	0.0418222
    1.65 +91	0.0427718
    1.66 +92	0.0440778
    1.67 +93	0.0437583
    1.68 +94	0.0499333
    1.69 +95	0.0426111
    1.70 +96	0.04518
    1.71 +97	0.0449111
    1.72 +98	0.0479667
    1.73 +99	0.0413667