0.1033 1.00785
4
0
2 1150.000 1400.000
5 1100.000 1300.000 1600.000 1900.000 2400.000
3 1950.000 2450.000 3000.000
0
3 0.044 0.028 -0.017
6 -0.012 -0.013 -0.021 -0.029 -0.042 -0.051
4 0.010 0.012 0.011 0.017
0
3
0
127
75
0	0.00000000	OFFSET FROM MEASURED M/Z
15	-1000000000.00000000	-2.74865723	-2.44854736	-2.04858398	-1.94854736	-1.84857178	-1.44854736	-1.24853516	-0.94854736	-0.74865723	-0.34857178	-0.14855957	0.35144043	0.65142822	0.85144043
16	-0.24655472	-0.61587247	-0.49683075	-0.24661695	-0.21012558	-0.34904452	-0.44731174	0.04373496	0.18164405	0.08566530	-0.03640100	0.31144816	0.68057567	0.51563822	0.31238357	0.11986637
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
12	-1000000000.00000000	-2.74865723	-2.44860840	-1.94860840	-1.84857178	-1.64855957	-1.04858398	-0.94854736	-0.74865723	-0.34863281	-0.14855957	0.35144043
13	-0.64784820	-0.64784820	-0.41213738	-0.03430540	-0.00066017	-0.06781090	-0.19009689	-0.11314827	-0.12901121	-0.46713355	-0.16365584	-0.01356498	-0.64784820
2	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=4
6	-1000000000.00000000	-2.24865723	-0.94860840	-0.24853516	0.15136719	0.25134277
7	-0.25960121	-0.25960121	-0.04995749	-0.11050076	-0.01623994	-0.10806455	-0.25960121
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
13	-1000000000.00000000	-2.74865723	-2.44860840	-1.94860840	-1.84857178	-1.64855957	-1.04858398	-0.74865723	-0.44860840	-0.34863281	-0.14855957	0.05145264	0.35144043
14	-0.42132962	-0.42132962	-0.34205835	-0.14282591	-0.12846000	-0.16103053	-0.17233426	-0.08886157	-0.20822762	-0.12926816	-0.17570437	-0.11192338	-0.19065041	-0.42132962
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
7	-1000000000.00000000	-2.04852295	-0.94854736	-0.64855957	-0.24865723	-0.14855957	0.15136719
8	0.00437957	0.00437957	-0.03367849	-0.07454246	-0.14482039	-0.12472553	0.02704087	0.00437957
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
12	-1000000000.00000000	-2.74865723	-2.44854736	-1.94854736	-1.84857178	-1.44854736	-1.24853516	-0.94854736	-0.34857178	0.05145264	0.35144043	0.85144043
13	0.21429002	0.16590108	0.37015888	1.00647502	0.86054751	0.37256427	0.39889422	0.49667977	0.35666714	0.45299255	0.42147737	0.32666775	0.23271687
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
15	-1000000000.00000000	-2.74865723	-2.44854736	-2.04858398	-1.94854736	-1.84857178	-1.44854736	-1.24853516	-0.94854736	-0.74865723	-0.34857178	0.05145264	0.35144043	0.65142822	0.85144043
16	-0.86332025	-0.91025316	-0.83062088	-0.47434743	-0.29403150	-0.48601609	-0.52431090	-0.24110335	-0.17335939	-0.24577263	-0.48975188	-0.40542216	-0.65777211	-0.73668634	-0.78381190	-0.81038323
15	0.00000000	# H2O PAIRS
5	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000
6	-0.09786096	-0.16854507	-0.07437025	0.09340411	0.22530200	0.32012498
17	0.00000000	INTEN PAIRS
3	-1000000000.00000000	0.00000000	0.08173416
4	-0.00483015	-0.00483015	0.00172646	-0.00483015
18	0.00000000	INTEN STRONG PAIRS
5	-1000000000.00000000	0.01789567	0.02466510	0.03349508	0.07522665
6	-0.01448474	-0.01448474	0.00720049	0.01809107	0.02192039	-0.01448474
19	0.00000000	INTEN C2 PAIRS
5	-1000000000.00000000	0.00353904	0.00572962	0.00820034	0.01155122
6	-0.06047775	-0.06047775	-0.07862505	0.04994819	-0.04073150	-0.06047775
21	0.00000000	INTEN H2O PAIRS
6	-1000000000.00000000	0.00000000	0.01405101	0.03532416	0.04578136	0.08660299
7	-0.05320416	-0.19176952	-0.06024170	0.00453326	0.14378188	0.11056484	0.13818911
23	0.00000000	AVG OFFSET TOP (STRONG 2)
3	-1000000000.00000000	0.20359802	0.22738647
4	-0.00961593	0.01024581	-0.03418786	-0.03557574
33	0.00000000	MEAN OFFSET PAIRS
5	-1000000000.00000000	0.11671957	0.30437216	0.34396362	0.38936362
6	-0.19271981	0.01659444	-0.00966785	-0.21898211	-0.20486754	-0.19271981
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
2	-1000000000.00000000	0.18700664
3	-0.08823374	0.00000000	-0.08823374
35	0.00000000	MEAN OFFSET STRONG PAIRS
2	-1000000000.00000000	0.35662842
3	-0.00380686	0.00295332	-0.00829063
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
4	-1000000000.00000000	0.08546618	0.17831421	0.19666545
5	0.01112667	0.10666702	0.01663534	-0.04864639	-0.04567755
37	0.00000000	MEAN OFFSET C2 PAIRS
3	-1000000000.00000000	0.37298584	0.40765381
4	-0.00318730	-0.00318730	0.01495668	-0.00318730
38	0.00000000	WEIGHTED MEAN OFFSET C2 PAIRS
3	-1000000000.00000000	0.18649292	0.20382690
4	-0.00324685	-0.00324685	0.00338979	-0.00324685
45	0.00000000	PAIR OFFSET (STRONG 1)
11	-1000000000.00000000	0.01995850	0.02993774	0.05004883	0.07092285	0.09182739	0.10195923	0.13415527	0.14605713	0.15704346	0.16806030
12	0.15823268	0.22209833	0.21917078	0.21760037	0.18624144	0.22209833	0.18758958	0.16811668	0.13681840	0.08483627	0.10635704	0.10625054
46	0.00000000	PAIR OFFSET (STRONG 2)
8	-1000000000.00000000	0.01791382	0.03503418	0.09094238	0.13104248	0.14193726	0.17510986	0.19815063
9	-0.04705628	-0.04423306	-0.05155610	-0.01522591	-0.06017900	-0.04326130	-0.04184987	-0.04341109	-0.04975274
47	0.00000000	PAIR OFFSET (STRONG 3)
5	-1000000000.00000000	0.02392578	0.07492065	0.14004517	0.22994995
6	0.00483937	0.00483937	0.01222970	0.00484822	-0.01407543	0.00483937
48	0.00000000	PAIR OFFSET (STRONG 4)
3	-1000000000.00000000	0.05401611	0.14605713
4	-0.00881214	-0.00881214	0.00436415	-0.00881214
49	0.00000000	PAIR OFFSET (STRONG 5)
3	-1000000000.00000000	0.05407715	0.06997681
4	0.05619833	0.05619833	0.00000000	0.05619833
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
6	-1000000000.00000000	0.08486938	0.13806152	0.17916870	0.22189331	0.24209595
7	-0.02088853	-0.02088853	-0.06397196	0.00000000	-0.00491051	-0.01166929	-0.02088853
55	0.00000000	NUM STRICT 0
2	-1000000000.00000000	1.00000000
3	-0.00756712	-0.04356959	0.04108811
56	0.00000000	INTEN STRICT 0
5	-1000000000.00000000	0.00560923	0.01374441	0.02349078	0.03152307
6	-0.01154284	-0.15172531	-0.10153911	0.02195981	0.04177217	0.04973358
57	0.00000000	NUM STRICT 1
4	-1000000000.00000000	0.00000000	1.00000000	2.00000000
5	-0.00791126	-0.12441720	-0.08756413	-0.01706456	0.10785963
58	0.00000000	INTEN STRICT 1
4	-1000000000.00000000	0.00000000	0.01937173	0.02617828
5	0.02749130	-0.07959457	-0.04185823	0.07000199	0.10872251
59	0.00000000	NUM STRICT 2
2	-1000000000.00000000	1.00000000
3	-0.00152250	-0.00309041	0.00450639
60	0.00000000	INTEN STRICT 2
4	-1000000000.00000000	0.01247625	0.02344415	0.07058790
5	0.00318034	-0.01094590	0.00766866	-0.01320856	0.03123135
67	0.00000000	DIFF WITH -2 # PAIRS
4	-1000000000.00000000	-2.00000000	0.00000000	2.00000000
5	-0.02507632	0.02555952	-0.03775116	-0.12110335	-0.06963617
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
3	-1000000000.00000000	0.00000000	1.00000000
4	-0.01760052	0.00681419	-0.01065398	-0.03876290
69	0.00000000	DIFF WITH -2 # C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	-0.00329604	0.00141772	-0.01413551	-0.01271779
73	0.00000000	DIFF WITH -2 INTEN PAIRS
9	-1000000000.00000000	-0.05180679	-0.02038217	-0.00052101	0.00000000	0.01221801	0.01814910	0.03939800	0.06420009
10	-0.09389300	-0.17550115	-0.09424181	-0.14739984	-0.19415005	-0.04755713	0.03291254	0.01713232	0.01097771	-0.02696229
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
3	-1000000000.00000000	-0.10323284	0.00000000
4	-0.02181471	-0.06240629	0.00839140	0.03750030
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
4	-1000000000.00000000	-0.01560027	-0.00597454	0.00000000
5	-0.03431308	-0.03431308	-0.02400781	0.00786939	-0.03431308
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
9	-1000000000.00000000	-0.08693670	-0.02618879	-0.01063020	-0.00483365	0.00000000	0.00882712	0.01871645	0.04977050
10	-0.03950135	-0.06425589	0.05549325	0.00806416	-0.07831201	-0.08671699	0.04520155	0.04238032	0.08318617	0.03857195
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.00216642	0.00505756	0.00819240
5	-0.01646153	-0.00299990	0.01074523	-0.00359294	-0.02897694
79	0.00000000	DIFF WITH -1 # PAIRS
2	-1000000000.00000000	0.00000000
3	0.00000000	0.00000000	0.01306242
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.08562532	0.00000000	0.03890555	0.16465193	0.15796372
81	0.00000000	DIFF WITH -1 # C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.03845926	0.03845926	0.00000000	0.03845926
83	0.00000000	DIFF WITH -1 # H2O PAIRS
3	-1000000000.00000000	0.00000000	1.00000000
4	0.01393428	0.02458248	0.00000000	0.00521240
85	0.00000000	DIFF WITH -1 INTEN PAIRS
9	-1000000000.00000000	-0.19807161	-0.04424045	-0.01923579	-0.00661917	0.00000000	0.00298980	0.00957312	0.03649044
10	0.10066448	0.10066448	0.13155057	0.14103874	0.13156510	0.03671891	0.05523813	0.11670210	0.07998319	0.10066448
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.11093058	-0.04230707	-0.01692624	-0.00741445	0.02139979	0.03415675
8	0.19089196	0.04034311	0.00138428	0.10594332	0.10292727	0.10431155	0.22087230	0.22961219
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
3	-1000000000.00000000	-0.01578778	-0.00614025
4	0.00631565	0.00631565	0.00000000	0.00631565
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.01353384	-0.00118405	0.00201370
5	0.05253658	0.05253658	0.00000000	0.01295811	0.05253658
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
11	-1000000000.00000000	-0.08183641	-0.05109337	-0.03370212	-0.01552887	-0.00372517	0.00000000	0.01260473	0.02649837	0.03902377	0.06169050
12	0.46084523	0.32197178	0.57724969	0.42143815	0.48653416	0.45789196	0.34657244	0.45811974	0.53384266	0.50853321	0.58608976	0.76540898
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
6	-1000000000.00000000	-0.00824891	-0.00514901	0.00000000	0.00258697	0.00831992
7	0.22380134	0.26898439	0.09189773	0.22405450	0.16751166	0.13215677	0.17338387
91	0.00000000	DIFF WITH +1 # PAIRS
3	-1000000000.00000000	-2.00000000	-1.00000000
4	-0.01864656	-0.01528674	0.00000000	-0.02498328
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	-0.04125222	-0.04125222	0.00000000	-0.04125222
95	0.00000000	DIFF WITH +1 # H2O PAIRS
7	-1000000000.00000000	-4.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
8	-0.07778802	0.00000000	-0.06866412	-0.15232756	-0.23420412	-0.24165780	-0.28992763	-0.23781619
97	0.00000000	DIFF WITH +1 INTEN PAIRS
8	-1000000000.00000000	-0.20168468	-0.12287819	-0.07833158	-0.00139247	0.00906812	0.01551738	0.06713615
9	-0.06385284	-0.04876956	-0.08672457	-0.01580343	-0.08263575	-0.10478732	-0.13664991	-0.13955785	-0.08907364
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
8	-1000000000.00000000	-0.19997354	-0.04824841	-0.01151297	0.00000000	0.01188613	0.02249406	0.06526375
9	-0.31119846	-0.08351069	-0.19894986	-0.12552493	-0.11394547	0.04542250	0.03795963	0.06528095	0.14659574
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
4	-1000000000.00000000	-0.00628132	0.00348614	0.00956416
5	-0.01112798	0.00000000	-0.02816455	-0.02515622	-0.02064332
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
7	-1000000000.00000000	-0.06574353	-0.03148756	-0.02228783	0.00000000	0.02333911	0.05767076
8	0.01747974	0.01747974	0.01311647	0.02047026	-0.09146914	-0.08561194	-0.05078945	0.01747974
103	0.00000000	DIFF WITH +2 # PAIRS
5	-1000000000.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000
6	-0.02905787	-0.02905787	0.00000000	-0.00149425	-0.03197699	-0.02905787
107	0.00000000	DIFF WITH +2 # H2O PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000
6	-0.09135055	-0.16549059	-0.01493501	-0.01825698	-0.04909698	-0.03416197
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
2	-1000000000.00000000	0.00000000
3	-0.02138727	-0.03673119	0.00000000
109	0.00000000	DIFF WITH +2 INTEN PAIRS
6	-1000000000.00000000	-0.04955320	0.00000000	0.00537583	0.01778873	0.04419176
7	-0.16809462	-0.21642110	-0.03834210	-0.11929980	-0.18297507	-0.17985069	-0.14463297
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.03092557	-0.02009082	0.00000000	0.02485291	0.04173598
7	-0.12659914	-0.18148954	-0.03412491	-0.05174078	-0.03923796	-0.03211800	-0.01761587
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
6	-1000000000.00000000	-0.00371566	-0.00024045	0.00000000	0.00620395	0.00953282
7	-0.18577601	-0.18577601	-0.11235559	-0.06871657	-0.17080089	-0.10208432	-0.18577601
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
6	-1000000000.00000000	-0.05795351	-0.02323611	-0.01164922	0.00967400	0.04104740
7	-0.05669485	-0.14292311	-0.12020500	-0.12166051	-0.08936278	-0.00374968	-0.00145550
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
2	-1000000000.00000000	-0.01447540
3	-0.05257988	-0.06179609	0.00000000
115	0.00000000	DIFF +1/-1 # PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.01136454	0.01136454	0.00993108	0.00000000	0.01136454
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.00988783	0.00988783	0.02415983	0.01427200	0.02415983	0.00988783
118	0.00000000	DIFF +1/-1 # STRONG C2 PAIRS
2	-1000000000.00000000	-1.00000000
3	0.02503513	0.00000000	0.06212224
119	0.00000000	DIFF +1/-1 # H2O PAIRS
3	-1000000000.00000000	-2.00000000	2.00000000
4	0.00787290	0.00787290	0.00000000	0.00787290
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00285988	0.00285988	0.00000000	0.00285988
121	0.00000000	DIFF +1/-1 INTEN PAIRS
10	-1000000000.00000000	-0.03162047	-0.01984879	-0.01231042	-0.00591976	0.00000000	0.00095142	0.01465870	0.02174257	0.03206806
11	0.09882991	0.05372725	0.15386959	0.09999939	0.05165122	0.04152889	0.14132291	0.13993143	0.14427324	0.16006563	0.15245014
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.11832049	-0.00644582	0.01039999	0.07250681
6	0.00000000	0.00000000	0.13030030	0.12466347	0.12033380	0.00000000
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
6	-1000000000.00000000	-0.01553179	-0.00602715	0.00000000	0.00347312	0.00958007
7	0.04559055	0.03645380	0.02289276	0.06409745	0.05376031	0.02818756	0.05108033
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
2	-1000000000.00000000	-0.00114247
3	0.00391536	0.00000000	0.01708545
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
11	-1000000000.00000000	-0.10201520	-0.04989187	-0.02970942	-0.00536042	0.00000000	0.00717697	0.01231168	0.03450865	0.06810451	0.10042616
12	0.12966065	0.11588874	0.21292630	0.23945125	0.18355951	0.15258242	0.26237195	0.26399946	0.30212794	0.32448157	0.21580714	0.16568127
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.01365885	-0.00811852	0.00000000
5	0.00000000	0.00000000	0.07866783	0.08007704	0.00000000
0
127
71
0	0.00000000	OFFSET FROM MEASURED M/Z
9	-1000000000.00000000	-2.66467285	-2.36474609	-2.06469727	-1.96472168	-0.96472168	-0.76477051	-0.06469727	0.33532715
10	-0.43933382	-0.63813191	0.21962325	0.54725742	0.34850698	0.21260389	0.11328460	0.08587857	0.15757540	-0.13798860
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
11	-1000000000.00000000	-2.76477051	-2.36474609	-1.96472168	-1.76477051	-1.46472168	-1.26477051	-0.86474609	-0.76477051	-0.36474609	0.13525391
12	-0.52744724	-0.52744724	-0.25037204	-0.09439157	-0.14997896	-0.34282095	-0.32496935	-0.21695899	-0.24935435	-0.57232948	0.08088524	-0.52744724
2	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=4
3	-1000000000.00000000	-0.16467285	0.13525391
4	-0.09579087	-0.09579087	0.00000000	-0.09579087
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
11	-1000000000.00000000	-2.76477051	-2.36474609	-1.96472168	-1.46472168	-1.06469727	-0.86474609	-0.76477051	-0.16467285	0.43530273	0.53527832
12	-0.48626321	-0.48626321	-0.46443392	-0.21496233	-0.31774275	-0.12908053	-0.14972289	-0.21632488	-0.39511263	-0.22315964	-0.46462521	-0.48124815
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
5	-1000000000.00000000	-1.96472168	-1.86474609	-0.16467285	0.13525391
6	-0.00517658	-0.00517658	-0.01495948	-0.04041830	0.01022329	-0.00517658
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
10	-1000000000.00000000	-2.66467285	-2.06469727	-1.96472168	-0.46472168	-0.26477051	0.33532715	0.53527832	0.73522949	0.83532715
11	0.10280188	-0.00278226	0.04006181	0.03042345	0.01371652	0.09004608	0.35750219	0.28233243	0.25234662	0.22490677	0.18176605
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
14	-1000000000.00000000	-2.66467285	-2.36474609	-2.06469727	-1.96472168	-1.76477051	-1.56469727	-1.36474609	-1.16467285	-0.06469727	0.33532715	0.53527832	0.73522949	0.83532715
15	-0.98245771	-1.13139987	-0.63893451	-0.57359725	-0.66009152	-0.79262618	-0.83126172	-0.81838002	-0.48270812	-0.35768212	-0.25766447	-0.74080813	-0.76929086	-0.79230503	-0.89578330
11	0.00000000	# PAIRS
4	-1000000000.00000000	0.00000000	1.00000000	2.00000000
5	-0.01476243	-0.01476243	-0.00201539	0.03308900	-0.01476243
12	0.00000000	# STRONG PAIRS
3	-1000000000.00000000	1.00000000	2.00000000
4	0.00155984	-0.00693529	0.02083926	0.00756632
15	0.00000000	# H2O PAIRS
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.24891653	-0.42134277	-0.16623790	0.03331224	0.22945766
17	0.00000000	INTEN PAIRS
3	-1000000000.00000000	0.00998163	0.02253651
4	-0.01079568	-0.01079568	0.00290119	-0.01079568
21	0.00000000	INTEN H2O PAIRS
8	-1000000000.00000000	0.00521375	0.00809791	0.01048827	0.01290143	0.02288700	0.03447306	0.07849874
9	-0.02911369	-0.16516570	-0.05526332	0.02014229	0.06130334	0.06699318	0.13262514	0.21151517	0.24712094
23	0.00000000	AVG OFFSET TOP (STRONG 2)
2	-1000000000.00000000	0.17213440
3	-0.00336633	0.00000000	-0.00683363
33	0.00000000	MEAN OFFSET PAIRS
4	-1000000000.00000000	0.10906982	0.18472290	0.36956787
5	0.00879455	0.00879455	-0.01120905	-0.00587846	0.00879455
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
5	-1000000000.00000000	0.02409617	0.04895020	0.18478394	0.19762166
6	-0.01110497	-0.01110497	-0.02448425	0.00000000	0.01337928	-0.01110497
35	0.00000000	MEAN OFFSET STRONG PAIRS
3	-1000000000.00000000	0.25000000	0.38139853
4	0.02811945	0.03785904	-0.03133418	-0.09097608
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
3	-1000000000.00000000	0.16720581	0.19069926
4	0.00258760	0.00258760	0.00000000	0.00258760
45	0.00000000	PAIR OFFSET (STRONG 1)
8	-1000000000.00000000	0.01016235	0.04083252	0.05114746	0.08172607	0.13482666	0.17883301	0.21221924
9	0.14911569	0.14911569	0.17071315	0.20225249	0.21906670	0.09449455	0.14172380	0.08354211	0.04722925
46	0.00000000	PAIR OFFSET (STRONG 2)
6	-1000000000.00000000	0.01873779	0.13385010	0.20074463	0.21325684	0.22573853
7	0.04970621	0.08991108	0.10715526	0.06242535	0.05589478	0.04397970	0.00000000
47	0.00000000	PAIR OFFSET (STRONG 3)
3	-1000000000.00000000	0.01577759	0.15576172
4	0.00309413	0.01175421	0.01427923	-0.00561878
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
4	-1000000000.00000000	0.03219604	0.04321289	0.22177124
5	0.02492212	0.02492212	-0.00282987	-0.03247995	0.02492212
55	0.00000000	NUM STRICT 0
2	-1000000000.00000000	1.00000000
3	0.00015464	-0.00309983	0.00325448
56	0.00000000	INTEN STRICT 0
4	-1000000000.00000000	0.01263402	0.02359471	0.04029631
5	0.01812134	-0.04415496	0.01515045	0.03682102	0.04519820
57	0.00000000	NUM STRICT 1
4	-1000000000.00000000	0.00000000	1.00000000	2.00000000
5	0.04819321	-0.06920738	-0.05984042	-0.01474416	0.15597978
58	0.00000000	INTEN STRICT 1
4	-1000000000.00000000	0.00000000	0.00625264	0.01308279
5	0.06339784	-0.03240609	-0.02616955	0.06963437	0.14567556
60	0.00000000	INTEN STRICT 2
4	-1000000000.00000000	0.00258397	0.01519546	0.01956851
5	-0.00520189	-0.06757414	-0.05184902	-0.03924581	0.02901764
67	0.00000000	DIFF WITH -2 # PAIRS
3	-1000000000.00000000	-2.00000000	2.00000000
4	0.00000000	0.00000000	0.01061826	0.00000000
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00579652	0.00579652	0.00000000	0.00579652
69	0.00000000	DIFF WITH -2 # C2 PAIRS
2	-1000000000.00000000	-1.00000000
3	-0.00032536	-0.00316793	0.01110841
71	0.00000000	DIFF WITH -2 # H2O PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	2.00000000
5	0.03749972	0.03749972	0.01144183	0.00000000	0.03749972
73	0.00000000	DIFF WITH -2 INTEN PAIRS
5	-1000000000.00000000	-0.02700362	-0.00480162	0.00000000	0.02480758
6	-0.00683741	-0.01146051	0.01078995	0.00565707	0.02289287	-0.00683741
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.04000483	-0.02481536	-0.00080831	0.00000000	0.01020709	0.03255226
8	0.13489431	0.10425701	0.10679946	0.09490152	-0.00949582	0.12754652	0.13899982	0.15609653
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
5	-1000000000.00000000	-0.00904422	-0.00405436	0.00195601	0.00899992
6	0.00251658	0.00251658	0.03247370	0.04501053	0.00000000	0.00251658
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
5	-1000000000.00000000	-0.01127366	0.00000000	0.00350263	0.06734396
6	0.16810575	0.16810575	0.00000000	0.09330894	0.13531399	0.16810575
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
3	-1000000000.00000000	-0.01305096	0.00330446
4	-0.00299062	-0.01166626	-0.01713350	0.02305223
79	0.00000000	DIFF WITH -1 # PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.04258128	0.04258128	0.03998793	0.05115966	0.00259335	0.04258128
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
7	0.01961143	0.01961143	0.02216560	0.05224796	0.05808501	0.00000000	0.01961143
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00000000	0.00000000	0.02626587	0.00000000
83	0.00000000	DIFF WITH -1 # H2O PAIRS
4	-1000000000.00000000	-1.00000000	1.00000000	2.00000000
5	0.02032861	0.02032861	0.00394173	0.00000000	0.02032861
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.02470994	0.02470994	0.00000000	0.02470994
85	0.00000000	DIFF WITH -1 INTEN PAIRS
6	-1000000000.00000000	-0.01246819	0.00000000	0.00244228	0.01113079	0.05120824
7	0.03264925	0.03264925	0.00000000	0.01391809	0.05071238	0.08168316	0.04266872
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.14823017	-0.05179543	0.00000000	0.02995429
6	0.26227555	0.05639289	0.09778755	0.13062844	0.22937664	0.28576953
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
3	-1000000000.00000000	-0.00346703	0.00698755
4	0.00000000	0.00000000	0.01434684	0.00000000
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
13	-1000000000.00000000	-0.07070506	-0.04484849	-0.01527624	-0.01075924	-0.00673676	-0.00172324	0.00000000	0.01000042	0.01389955	0.01897666	0.03704858	0.05587513
14	0.47859054	0.19130372	0.28582591	0.31216600	0.23387620	0.23881600	0.21261097	0.12751448	0.29950605	0.22065714	0.19357014	0.35186092	0.35724183	0.47859054
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.00821469	-0.00344322	0.00553793
5	0.03605479	0.03605479	0.00000000	0.03289897	0.03605479
91	0.00000000	DIFF WITH +1 # PAIRS
5	-1000000000.00000000	-2.00000000	0.00000000	1.00000000	2.00000000
6	-0.02007188	0.00000000	-0.11068698	-0.12507469	-0.10597982	-0.03523420
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
5	-1000000000.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000
6	-0.02372088	-0.02372088	-0.01511732	0.00000000	-0.07343949	-0.02372088
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	-0.03189616	-0.03189616	0.00000000	-0.03189616
95	0.00000000	DIFF WITH +1 # H2O PAIRS
7	-1000000000.00000000	-4.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
8	-0.13650779	0.00000000	-0.02916781	-0.17147689	-0.26129572	-0.33997435	-0.38980900	-0.31118556
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	-0.00702817	-0.00702817	0.00000000	-0.00702817
97	0.00000000	DIFF WITH +1 INTEN PAIRS
7	-1000000000.00000000	-0.15682636	-0.00996076	-0.00034554	0.00624815	0.03337578	0.05473109
8	-0.02495584	-0.02099194	-0.00246213	0.02022548	-0.12321867	-0.08072262	-0.06774325	-0.03531274
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.09173543	-0.03802619	-0.00494950	0.00000000	0.03118439
7	0.31951815	-0.04201586	-0.02077497	0.06993874	0.00000000	0.24605854	0.31599728
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
9	-1000000000.00000000	-0.02990760	-0.02192056	-0.01621017	0.00000000	0.00686724	0.02300234	0.03387645	0.05264638
10	0.15035305	0.16829053	0.12571840	-0.01225845	-0.08556778	-0.07203902	-0.03649189	0.02818023	0.02283108	0.13179864
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
3	-1000000000.00000000	-0.00123576	0.00000000
4	-0.03508707	-0.01813419	0.00000000	-0.06666502
103	0.00000000	DIFF WITH +2 # PAIRS
4	-1000000000.00000000	-3.00000000	0.00000000	1.00000000
5	-0.04618043	-0.04618043	0.00000000	-0.10232082	-0.04618043
105	0.00000000	DIFF WITH +2 # C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00000000	0.00000000	-0.01380940	0.00000000
107	0.00000000	DIFF WITH +2 # H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	-0.01068110	-0.01068110	0.00000000	-0.00284040	-0.01068110
109	0.00000000	DIFF WITH +2 INTEN PAIRS
3	-1000000000.00000000	-0.00190730	0.00000000
4	0.00000000	0.00000000	-0.00775472	0.00000000
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.15627378	-0.01908746	-0.01267704	-0.00624170	0.01482923
7	0.00000000	0.00000000	-0.00778395	-0.02217606	-0.03100528	-0.04331458	0.00000000
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
4	-1000000000.00000000	-0.01466078	-0.00927948	0.00919306
5	-0.00702148	-0.01293109	-0.01721990	-0.05598005	0.00000000
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
5	-1000000000.00000000	-0.02311648	0.00045729	0.00629714	0.02410037
6	-0.05331970	-0.08470224	-0.17535785	-0.08648994	-0.06684770	0.00000000
115	0.00000000	DIFF +1/-1 # PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.06637676	0.06637676	0.00000000	0.07008306
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
3	-1000000000.00000000	-2.00000000	2.00000000
4	0.00000000	0.00000000	0.01834921	0.00000000
117	0.00000000	DIFF +1/-1 # C2 PAIRS
2	-1000000000.00000000	0.00000000
3	0.00412306	0.01805332	0.00000000
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
2	-1000000000.00000000	0.00000000
3	0.01757101	0.03505553	0.00000000
121	0.00000000	DIFF +1/-1 INTEN PAIRS
7	-1000000000.00000000	-0.09451577	-0.01853705	-0.00812517	0.01496477	0.06003526	0.09224079
8	0.02423788	0.01148252	0.04194150	0.08648675	0.07500422	0.12129491	0.11141033	0.03358612
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.09196433	-0.04374981	0.01845836	0.03828920	0.05785993
7	0.00000000	0.00000000	0.03459528	0.07946486	0.08194999	0.03554728	0.00000000
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
5	-1000000000.00000000	-0.00906151	-0.00621519	0.00420411	0.00921411
6	0.00772513	0.00772513	0.01534349	0.00761836	0.01534349	0.00772513
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
2	-1000000000.00000000	-0.00681081
3	0.00248551	0.00248551	0.00000000
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
13	-1000000000.00000000	-0.08761968	-0.04418926	-0.00764722	-0.00236775	0.00000000	0.00124371	0.01000964	0.01396760	0.02496766	0.03321511	0.06298943	0.09158117
14	0.33275982	0.24121252	0.38438312	0.43144029	0.34426431	0.17657053	0.33025957	0.36790974	0.40204980	0.45147247	0.45687441	0.46116723	0.44379959	0.42582319
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
3	-1000000000.00000000	-0.00344174	0.00806587
4	0.00000000	0.00000000	0.01696661	0.00000000
0
127
68
0	0.00000000	OFFSET FROM MEASURED M/Z
10	-1000000000.00000000	-2.70922852	-2.40930176	-1.40930176	-0.90930176	-0.70922852	-0.60925293	-0.10925293	0.29077148	0.49072266
11	-0.12881204	-0.17240024	0.10931281	0.28859062	0.30277781	0.14461111	0.14004913	0.04957298	0.08994897	-0.08932884	-0.10496069
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
13	-1000000000.00000000	-2.80932617	-2.40930176	-1.90930176	-1.80932617	-1.10925293	-0.90930176	-0.70922852	-0.60925293	-0.30932617	-0.20922852	0.09069824	0.79077148
14	-0.40790300	-0.40790300	-0.33046786	-0.09766616	-0.23891097	-0.26040574	-0.20124709	-0.28065336	-0.59958784	-0.61215056	-0.04361891	0.12525632	-0.42302352	-0.40790300
2	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=4
4	-1000000000.00000000	-1.50927734	-0.30932617	0.19067383
5	-0.04849801	-0.04849801	-0.00909880	0.03330236	-0.04849801
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
4	-1000000000.00000000	-1.10925293	-0.20922852	0.19067383
5	-0.00905465	-0.00905465	0.17195524	0.24332298	-0.00905465
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
10	-1000000000.00000000	-2.40930176	-1.90930176	-1.30932617	-0.90930176	-0.70922852	-0.50927734	-0.10925293	0.39074707	0.49072266
11	-0.72816466	-0.75524079	-0.39865013	-0.51350073	-0.08337379	-0.23887335	-0.37583090	-0.33146183	-0.25815611	-0.53278349	-0.65045827
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
6	-1000000000.00000000	-1.20922852	-0.90930176	-0.70922852	-0.20922852	0.09069824
7	-0.08548261	-0.08548261	-0.08259820	-0.13699780	-0.22047276	-0.00288441	-0.08548261
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
17	-1000000000.00000000	-2.70922852	-2.40930176	-2.10925293	-1.90930176	-1.80932617	-1.20922852	-1.00927734	-0.90930176	-0.70922852	-0.60925293	-0.40930176	-0.30932617	-0.10925293	0.29077148	0.49072266	0.99072266
18	-0.24526111	-0.32339665	0.62205436	0.69034969	0.68746429	0.46601841	0.08127831	0.23460149	0.30428584	0.27292931	0.05415924	-0.16731816	0.08546367	0.19434426	0.26031610	0.01924708	-0.04303132	-0.16713515
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
15	-1000000000.00000000	-2.70922852	-2.40930176	-1.90930176	-1.40930176	-1.20922852	-0.90930176	-0.70922852	-0.40930176	-0.30932617	-0.10925293	0.09069824	0.29077148	0.49072266	0.99072266
16	-1.06501936	-1.20519630	-1.10445452	-0.80617240	-0.87713009	-0.66810577	-0.27842330	-0.29919653	-0.33274505	-0.23199106	-0.19454874	-0.05188455	-0.06742908	-0.61999566	-0.91991508	-0.93614432
12	0.00000000	# STRONG PAIRS
3	-1000000000.00000000	1.00000000	2.00000000
4	-0.02449453	-0.02449453	0.01247620	-0.02449453
15	0.00000000	# H2O PAIRS
5	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000
6	-0.11262188	-0.15062257	-0.11231316	0.02711365	0.16845710	0.31809947
17	0.00000000	INTEN PAIRS
4	-1000000000.00000000	0.00537101	0.05044258	0.06927069
5	-0.03485214	-0.03485214	0.02913997	-0.00687004	-0.03485214
18	0.00000000	INTEN STRONG PAIRS
3	-1000000000.00000000	0.01299701	0.06176045
4	-0.00579541	-0.00579541	0.00000000	-0.00579541
21	0.00000000	INTEN H2O PAIRS
8	-1000000000.00000000	0.00000000	0.00588170	0.01159865	0.01376573	0.02656727	0.03789871	0.07757151
9	-0.03675606	-0.17321703	-0.12507323	-0.11234272	-0.08773835	-0.03019513	0.00973183	0.07550758	0.08814571
23	0.00000000	AVG OFFSET TOP (STRONG 2)
3	-1000000000.00000000	0.06314087	0.17306519
4	-0.01434990	0.02662971	0.03276735	-0.03946917
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
7	-1000000000.00000000	0.02210345	0.06013997	0.08477104	0.18919881	0.20022075	0.20562744
8	-0.04213721	-0.04213721	-0.05586772	0.00505941	0.02180838	0.00354646	-0.03038249	-0.04213721
35	0.00000000	MEAN OFFSET STRONG PAIRS
6	-1000000000.00000000	0.23335774	0.27966309	0.33825684	0.36372885	0.41392007
7	0.01343307	0.01343307	-0.00168496	-0.00503436	-0.01875786	-0.00654827	0.01343307
45	0.00000000	PAIR OFFSET (STRONG 1)
11	-1000000000.00000000	0.01031494	0.02111816	0.04119873	0.06268311	0.08380127	0.14874268	0.17980957	0.20123291	0.21130371	0.22216797
12	0.11242913	0.15857246	0.11493186	0.12137523	0.13317337	0.14185942	0.15857246	0.13929034	0.11693765	0.07389628	0.04674255	0.11242913
46	0.00000000	PAIR OFFSET (STRONG 2)
7	-1000000000.00000000	0.05895996	0.07977295	0.11120605	0.12121582	0.16473389	0.21923828
8	0.06120512	0.06437448	0.03062241	0.02785090	0.04599423	0.06437448	0.03652358	0.06120512
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
3	-1000000000.00000000	0.07379150	0.20031738
4	0.00000000	0.00000000	-0.02064263	0.00000000
56	0.00000000	INTEN STRICT 0
5	-1000000000.00000000	0.01330339	0.01873983	0.02269561	0.03428381
6	0.06374413	-0.05250888	-0.02142954	0.03417147	0.04232756	0.10759003
57	0.00000000	NUM STRICT 1
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.03928269	-0.21885901	-0.03427325	0.05693424	0.27038203
58	0.00000000	INTEN STRICT 1
4	-1000000000.00000000	0.00243746	0.01535928	0.02465350
5	0.06849732	-0.05391576	0.07784686	0.06237549	0.09336525
59	0.00000000	NUM STRICT 2
4	-1000000000.00000000	0.00000000	1.00000000	3.00000000
5	-0.02618326	-0.05665308	-0.03747933	-0.00644333	0.02922845
60	0.00000000	INTEN STRICT 2
5	-1000000000.00000000	0.01038891	0.01330425	0.01663489	0.02111756
6	0.01687083	-0.05757882	-0.02542836	0.00008823	0.01738122	0.04238741
62	0.00000000	INTEN C2 STRICT 0
2	-1000000000.00000000	0.00554548
3	0.00281658	0.00281658	0.00000000
64	0.00000000	INTEN C2 STRICT 1
2	-1000000000.00000000	0.00000000
3	0.02256772	0.02256772	-0.00974361
67	0.00000000	DIFF WITH -2 # PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	2.00000000
6	0.02365947	0.02365947	0.02010537	0.02653087	0.00355410	0.02365947
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.02344022	0.02344022	0.00520637	0.02344022	0.01823385	0.02344022
73	0.00000000	DIFF WITH -2 INTEN PAIRS
9	-1000000000.00000000	-0.08307228	-0.01969880	-0.00702982	-0.00394795	0.00000000	0.00317264	0.01200914	0.05601285
10	0.04345870	0.04345870	0.05534789	0.06430027	0.04088329	0.01311948	0.03738862	0.02426915	0.03650206	0.04345870
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
9	-1000000000.00000000	-0.01778583	-0.00710923	-0.00050361	0.00000000	0.00494502	0.01364847	0.01844032	0.02496753
10	0.15036395	0.14389709	0.10258722	0.08239393	0.00000000	0.06992847	0.07901124	0.09920453	0.14140453	0.15615825
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.01291041	0.00000000	0.00261840
5	0.03050265	0.03050265	0.00000000	0.01222911	0.03050265
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
9	-1000000000.00000000	-0.01734009	-0.01218634	-0.00137812	0.00000000	0.00467580	0.01022800	0.01706092	0.02758226
10	0.23158238	0.23158238	0.17897707	0.13394858	0.00000000	0.08070556	0.09753561	0.17422714	0.21013612	0.23158238
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.00947817	-0.00474281	0.00486867
5	0.03221000	0.03221000	0.01947341	0.00000000	0.03221000
79	0.00000000	DIFF WITH -1 # PAIRS
4	-1000000000.00000000	-3.00000000	-1.00000000	0.00000000
5	0.00000000	0.00000000	0.09272098	0.02891899	0.00000000
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	1.00000000
6	0.00901914	0.00308255	0.01542788	0.01989539	0.01681284	0.01989539
83	0.00000000	DIFF WITH -1 # H2O PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	2.00000000
7	0.08753918	0.08753918	0.06591967	0.09842197	0.11566512	0.02161952	0.08753918
85	0.00000000	DIFF WITH -1 INTEN PAIRS
7	-1000000000.00000000	-0.14091593	-0.03442108	-0.02476201	-0.00944596	0.02412625	0.03390897
8	0.05082558	0.04397815	0.04993004	0.08578647	0.09719478	0.04726474	0.05972050	0.09124289
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.04703618	-0.02253546	-0.00608554	0.01548586	0.03123296
7	0.15266017	0.00295005	0.02049360	0.04370551	0.07805671	0.19067412	0.19362418
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
6	-1000000000.00000000	-0.01062615	-0.00225214	0.00000000	0.00242134	0.01069156
7	0.00277250	0.00277250	0.05453130	0.02345749	0.00941054	0.01218305	0.00277250
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.01337732	-0.00266352	0.00827841
5	0.02099691	0.00000000	0.01921823	0.03717646	0.02999945
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
13	-1000000000.00000000	-0.11844969	-0.03015113	-0.02191700	-0.01176919	-0.00827727	-0.00137289	0.00000000	0.00587756	0.01591792	0.02100928	0.03842503	0.05561797
14	0.27724912	0.23349790	0.28826283	0.25228611	0.21061865	0.15436172	0.12821421	0.11001404	0.20052641	0.21644680	0.38578336	0.34309615	0.38684737	0.51391250
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
6	-1000000000.00000000	-0.01511682	-0.00146762	0.00166803	0.00342268	0.00510095
7	0.07585900	0.07585900	0.03495349	0.09841262	0.04090551	0.06327762	0.07585900
91	0.00000000	DIFF WITH +1 # PAIRS
4	-1000000000.00000000	-3.00000000	-1.00000000	2.00000000
5	0.00000000	0.00000000	-0.01883971	-0.06003599	0.00000000
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	-0.03478754	-0.03478754	-0.01655611	0.00000000	-0.06013142	-0.03478754
93	0.00000000	DIFF WITH +1 # C2 PAIRS
3	-1000000000.00000000	-2.00000000	1.00000000
4	-0.01546493	-0.01546493	0.00000000	-0.01546493
95	0.00000000	DIFF WITH +1 # H2O PAIRS
7	-1000000000.00000000	-4.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
8	-0.04975018	0.00000000	-0.04872544	-0.07095677	-0.12726342	-0.19533398	-0.20776566	-0.13683272
97	0.00000000	DIFF WITH +1 INTEN PAIRS
6	-1000000000.00000000	-0.01091386	-0.00447993	0.00000000	0.00573623	0.05473703
7	-0.00874001	-0.00263154	-0.00874001	-0.04714981	-0.02217930	-0.04434697	-0.00874001
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
8	-1000000000.00000000	-0.14291061	-0.01279846	-0.00268583	0.00000000	0.01054394	0.03299871	0.05203362
9	0.04449037	0.10327230	0.03115858	0.05367132	-0.08552997	0.09446426	0.13767920	0.24098602	0.30170018
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
6	-1000000000.00000000	-0.01705104	-0.00590050	0.00000000	0.00227180	0.01066230
7	-0.03834416	-0.03834416	0.00000000	-0.01572235	-0.02560010	-0.02922250	-0.03834416
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
9	-1000000000.00000000	-0.08043472	-0.03940567	-0.02232291	-0.01709465	-0.00957859	0.00613638	0.02531485	0.05325892
10	0.08761709	0.08761709	0.07659040	0.03880744	-0.02518447	-0.08208574	-0.04880965	-0.08208574	-0.07910611	0.08761709
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.00516768	0.00331470	0.00700638
5	0.00000000	0.00000000	-0.02972111	-0.00814005	0.00000000
106	0.00000000	DIFF WITH +2 # STRONG C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00613239	0.01194874	0.04661545	-0.00285801
107	0.00000000	DIFF WITH +2 # H2O PAIRS
3	-1000000000.00000000	-3.00000000	0.00000000
4	-0.00567478	-0.00567478	0.00300630	-0.00567478
109	0.00000000	DIFF WITH +2 INTEN PAIRS
5	-1000000000.00000000	-0.05991258	-0.01728604	-0.01298775	0.00000000
6	-0.06874026	-0.06874026	-0.06169123	-0.03668565	0.00318967	-0.06874026
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
4	-1000000000.00000000	-0.03998793	-0.02856172	-0.00622852
5	-0.09698079	-0.09978111	-0.02621708	0.00863798	-0.09114314
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
6	-1000000000.00000000	-0.01091353	-0.00579573	-0.00021766	0.00378207	0.00752134
7	0.00281263	0.00281263	-0.03192601	-0.06509163	-0.06790427	-0.04595763	0.00281263
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
2	-1000000000.00000000	0.02590981
3	-0.01070100	-0.04052251	0.00000000
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.00987158	-0.00505056	0.00958900
5	0.00000000	0.00000000	-0.08506271	-0.12198370	0.00000000
115	0.00000000	DIFF +1/-1 # PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	0.00645676	0.00645676	0.00346758	0.00000000	0.00645676
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
3	-1000000000.00000000	-2.00000000	2.00000000
4	0.00000000	0.00000000	0.02024384	0.00000000
117	0.00000000	DIFF +1/-1 # C2 PAIRS
3	-1000000000.00000000	0.00000000	1.00000000
4	0.00000000	0.00000000	0.00625237	0.00000000
119	0.00000000	DIFF +1/-1 # H2O PAIRS
5	-1000000000.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
6	0.04596458	0.01423212	0.05510830	0.04087618	0.05854598	0.06488154
121	0.00000000	DIFF +1/-1 INTEN PAIRS
4	-1000000000.00000000	-0.02087591	-0.01039107	0.00247873
5	0.06732976	0.06085422	0.02719993	0.00000000	0.06732976
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.04628948	-0.00013430	0.00000000	0.00502168	0.08289862
7	0.07507658	0.06048461	0.06962600	0.00914139	0.05366857	0.08089702	0.07507658
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
5	-1000000000.00000000	-0.01620457	-0.01042646	0.00000000	0.01078248
6	0.06383608	0.06383608	0.00000000	0.05065282	0.05477849	0.06383608
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
3	-1000000000.00000000	-0.00809989	0.00534779
4	0.01701551	0.01701551	0.00000000	0.01701551
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
10	-1000000000.00000000	-0.04491272	-0.00941765	-0.00184537	0.00000000	0.00613105	0.01612767	0.02052996	0.04484234	0.08655819
11	0.10708360	0.09108119	0.12364350	0.08546664	0.03256232	0.14793925	0.17584063	0.21058731	0.23023447	0.26505630	0.24579825
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.00684471	-0.00486984	-0.00123418
5	0.00980206	0.02856409	0.01246450	0.00278950	0.00000000
6
0
127
88
0	0.00000000	OFFSET FROM MEASURED M/Z
13	-1000000000.00000000	-1.65332031	-1.40332031	-1.00332642	-0.90332031	-0.55331421	-0.45333862	-0.05331421	0.04666138	0.14666748	0.19671631	0.34667969	0.69668579
14	-0.60870660	-0.60870660	-0.59144801	-0.40509222	-0.31191558	-0.28070062	0.10631242	0.23082871	0.26612919	-0.18760475	-0.38337222	-0.41725126	-0.51559408	-0.60870660
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
4	-1000000000.00000000	-1.70333862	-1.05328369	-0.50329590
5	-0.06724471	-0.06724471	-0.03692997	0.00000000	-0.06724471
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
6	-1000000000.00000000	-1.60327148	-0.50332642	-0.45333862	-0.00329590	0.34667969
7	0.07543101	0.00000000	0.07579032	0.15905287	0.23923812	0.21937136	0.14358103
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
8	-1000000000.00000000	-1.45330811	-1.05328369	-0.40332031	-0.00332642	0.09667969	0.14672852	0.24667358
9	-0.09291922	-0.09291922	-0.00693523	0.01395672	0.09490389	0.08593831	0.01750948	0.00891990	-0.09291922
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
4	-1000000000.00000000	-0.50332642	-0.05328369	-0.00329590
5	-0.29126668	-0.36457364	-0.33808336	0.16254997	-0.19936635
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
6	-1000000000.00000000	-1.65332031	-1.15332031	-0.55331421	-0.25332642	-0.05331421
7	-0.10729339	-0.10729339	-0.08276910	-0.02833034	0.02288502	-0.12371238	-0.10729339
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
8	-1000000000.00000000	-1.65332031	-0.95330811	-0.55331421	-0.25332642	-0.05331421	0.04666138	0.14666748
9	-0.10769116	-0.10769116	-0.09155314	-0.02457940	0.00164007	0.00000000	0.00164007	-0.06533367	-0.10769116
15	0.00000000	# H2O PAIRS
6	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
7	-0.02962907	-0.18757969	-0.19299645	-0.08177030	0.05283533	0.08343032	0.17389172
16	0.00000000	# C2 H2O PAIRS
3	-1000000000.00000000	0.00000000	2.00000000
4	0.02161832	0.02161832	-0.03159018	0.02161832
17	0.00000000	INTEN PAIRS
5	-1000000000.00000000	0.00506520	0.00825078	0.01533988	0.09325363
6	-0.04123388	0.00723556	0.08805101	0.06739262	-0.07060709	-0.09718915
18	0.00000000	INTEN STRONG PAIRS
3	-1000000000.00000000	0.02085060	0.06464668
4	-0.01400511	-0.00996367	0.01398690	-0.01604755
19	0.00000000	INTEN C2 PAIRS
4	-1000000000.00000000	0.01513307	0.02947918	0.03634706
5	0.00787539	-0.00464534	0.00472282	-0.00464534	0.00787539
20	0.00000000	INTEN STRONG C2 PAIRS
3	-1000000000.00000000	0.01799357	0.02656139
4	0.00307553	0.00307553	-0.00468500	0.00307553
21	0.00000000	INTEN H2O PAIRS
4	-1000000000.00000000	0.03125819	0.05295820	0.16685468
5	0.00397211	-0.04851386	0.01655099	0.06875993	0.03518437
22	0.00000000	INTEN C2 H2O PAIRS
6	-1000000000.00000000	0.00000000	0.00936887	0.01631616	0.02509179	0.03813176
7	0.00177096	0.00177096	-0.00956762	-0.03286772	-0.04834916	0.04183537	0.00177096
25	0.00000000	AVG OFFSET TOP (STRONG 4)
3	-1000000000.00000000	0.05402756	0.16971207
4	0.07243252	0.12349330	0.12512441	0.00000000
26	0.00000000	AVG OFFSET TOP (STRONG 5)
4	-1000000000.00000000	0.09459534	0.10385742	0.14085388
5	0.00664096	0.00664096	0.00000000	0.01766395	0.00664096
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
3	-1000000000.00000000	0.01593696	0.18936412
4	-0.00351413	-0.00351413	0.01380634	-0.00351413
35	0.00000000	MEAN OFFSET STRONG PAIRS
4	-1000000000.00000000	0.23520406	0.27999878	0.35037231
5	-0.02571631	-0.03928952	0.04151888	0.02321664	-0.00106052
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
8	-1000000000.00000000	0.02068583	0.04446538	0.07788764	0.09333292	0.16835785	0.17518616	0.20748393
9	1.41158254	1.40689555	1.09946897	0.84140377	0.40902522	0.40421135	0.39991129	0.36898205	0.26175777
37	0.00000000	MEAN OFFSET C2 PAIRS
5	-1000000000.00000000	0.15949504	0.35136923	0.36128744	0.39127603
6	-0.03743398	-0.01943375	0.07919162	0.04284665	0.01724708	-0.04592737
45	0.00000000	PAIR OFFSET (STRONG 1)
8	-1000000000.00000000	0.04219055	0.11688232	0.17295837	0.18383789	0.19387817	0.21513367	0.24581909
9	-0.02479056	-0.05364883	-0.04696111	-0.06973721	-0.04024552	-0.03447727	0.03196950	0.00976941	0.00649716
46	0.00000000	PAIR OFFSET (STRONG 2)
6	-1000000000.00000000	0.02816772	0.05783081	0.07714844	0.19519043	0.24116516
7	0.02855624	0.02855624	0.02517037	0.02199913	0.04555513	0.00655712	0.02855624
47	0.00000000	PAIR OFFSET (STRONG 3)
5	-1000000000.00000000	0.03587341	0.04418945	0.08084106	0.18601990
6	0.03461731	0.03258461	0.01533606	0.00000000	0.02897734	0.03704493
48	0.00000000	PAIR OFFSET (STRONG 4)
7	-1000000000.00000000	0.00823975	0.04209900	0.14421082	0.19015503	0.21618652	0.23318481
8	0.02214501	0.02507478	0.05950483	0.02900811	0.02043050	0.00000000	0.01217541	0.01935995
49	0.00000000	PAIR OFFSET (STRONG 5)
5	-1000000000.00000000	0.02388000	0.10888672	0.11911011	0.17312622
6	0.02978055	0.04139371	0.04447513	0.02436770	0.04294970	0.01858200
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
6	-1000000000.00000000	0.02110291	0.09399414	0.11584473	0.13619995	0.21182251
7	-0.03039390	-0.03039390	-0.04827233	-0.04674503	0.00912006	-0.01144084	-0.03039390
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
3	-1000000000.00000000	0.01016235	0.11383057
4	0.00000000	0.00000000	-0.00154209	0.00000000
55	0.00000000	NUM STRICT 0
3	-1000000000.00000000	1.00000000	2.00000000
4	0.16009359	-0.07395233	0.05370468	0.22391320
56	0.00000000	INTEN STRICT 0
4	-1000000000.00000000	0.00455285	0.01980092	0.09608708
5	-0.01348368	-0.25883972	-0.25251771	-0.17942639	0.01739239
57	0.00000000	NUM STRICT 1
5	-1000000000.00000000	1.00000000	2.00000000	3.00000000	4.00000000
6	0.09948929	-0.27783365	-0.12414218	0.10835235	0.19885640	0.26389982
58	0.00000000	INTEN STRICT 1
8	-1000000000.00000000	0.00372288	0.01670088	0.02932815	0.03819257	0.06457887	0.08536812	0.11309075
9	-0.07547989	-0.35094694	-0.04093497	0.00286589	0.04965489	0.12363886	0.20709561	0.21220595	0.22211476
59	0.00000000	NUM STRICT 2
4	-1000000000.00000000	1.00000000	2.00000000	4.00000000
5	-0.01670882	-0.18398367	-0.10745497	0.04792778	0.18137152
60	0.00000000	INTEN STRICT 2
11	-1000000000.00000000	0.00276057	0.00794546	0.01711572	0.03092643	0.04121833	0.07358382	0.09893582	0.13393858	0.18498737	0.26886570
12	-0.04980794	-0.29141698	-0.21598571	-0.12882131	-0.05808961	-0.02056554	-0.04011426	0.09691860	0.10738111	0.12411826	0.21713109	0.26789328
62	0.00000000	INTEN C2 STRICT 0
4	-1000000000.00000000	0.00109058	0.04201202	0.06133983
5	-0.01344061	0.06643026	0.11957062	-0.07656207	-0.08285625
64	0.00000000	INTEN C2 STRICT 1
4	-1000000000.00000000	0.00000000	0.00355235	0.02790908
5	-0.05052577	-0.05052577	0.03320393	0.04933217	-0.05052577
65	0.00000000	NUM C2 STRICT 2
3	-1000000000.00000000	0.00000000	1.00000000
4	0.00705337	0.00705337	-0.00351318	0.00705337
67	0.00000000	DIFF WITH -2 # PAIRS
4	-1000000000.00000000	-3.00000000	1.00000000	2.00000000
5	0.00344105	0.00000000	0.03982388	0.02845067	0.01529254
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
5	-1000000000.00000000	-4.00000000	-2.00000000	-1.00000000	1.00000000
6	0.23634611	0.12911421	0.46127857	0.33216436	0.46127857	0.42523931
70	0.00000000	DIFF WITH -2 # STRONG C2 PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.00194038	0.00000000	0.01488387	0.01311541	0.01150996
71	0.00000000	DIFF WITH -2 # H2O PAIRS
6	-1000000000.00000000	-4.00000000	-3.00000000	0.00000000	1.00000000	3.00000000
7	0.10173690	0.00000000	0.12371328	0.26925413	0.24417382	0.23141985	0.18384897
72	0.00000000	DIFF WITH -2 # C2 H2O PAIRS
3	-1000000000.00000000	-2.00000000	-1.00000000
4	0.00805209	0.00805209	0.00000000	0.00805209
73	0.00000000	DIFF WITH -2 INTEN PAIRS
9	-1000000000.00000000	-0.03328316	-0.00011406	0.00022056	0.00596009	0.02748520	0.06317330	0.09830552	0.16625400
10	0.38873818	0.24893716	0.31304021	0.25663766	0.08977746	0.35788879	0.46685559	0.44846060	0.42726198	0.45293640
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.14978895	0.00000000	0.03989988	0.06152832	0.16404215
7	0.14172446	0.10028381	0.34646689	0.24005774	0.27397937	0.15771105	0.21308354
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
9	-1000000000.00000000	-0.02895483	-0.02051471	0.00000000	0.00783260	0.01309342	0.03621294	0.04920616	0.09489049
10	0.12742542	0.10968379	0.09524057	0.08422170	0.10196333	0.02442780	0.01774163	0.12602126	0.12832388	0.14377858
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
8	-1000000000.00000000	-0.09295645	-0.05762890	-0.04021754	-0.02235950	-0.00801778	0.00000000	0.02684237
9	0.19772853	0.17789262	0.22547311	0.11732159	0.20621538	0.13647428	0.21367144	0.24530902	0.19772853
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
15	-1000000000.00000000	-0.34943309	-0.03787100	-0.02159352	-0.01053108	-0.00225970	0.00608522	0.02332353	0.03620889	0.07369037	0.09994455	0.13281147	0.17666401	0.23587586	0.31952786
16	0.42018377	0.38578770	0.38259510	0.42519089	0.18308516	0.38769994	0.32011981	0.46545645	0.50118004	0.43373875	0.45388887	0.43856591	0.42915398	0.43144652	0.44433918	0.49817128
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
13	-1000000000.00000000	-0.06960846	-0.03377394	-0.02423976	-0.01716750	-0.00624767	-0.00011828	0.00000000	0.00658529	0.01654497	0.02287560	0.03086861	0.05638605
14	0.11451336	0.10912250	0.08224036	0.08071319	0.12374117	0.06571780	0.09349410	0.09839239	0.08769960	0.07570257	0.08076850	0.11189429	0.12201842	0.12374117
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
4	-1000000000.00000000	-3.00000000	-1.00000000	2.00000000
5	0.05885490	0.01727965	0.00000000	0.15182951	0.11213986
83	0.00000000	DIFF WITH -1 # H2O PAIRS
4	-1000000000.00000000	-3.00000000	0.00000000	1.00000000
5	0.05582974	0.00158748	0.00000000	0.05424226	0.05582974
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.00000000	0.00000000	0.00336165	0.00493170	0.00000000
85	0.00000000	DIFF WITH -1 INTEN PAIRS
4	-1000000000.00000000	-0.45810875	-0.19490480	-0.11901753
5	0.14317060	0.06533549	0.00000000	0.20905040	0.22590772
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
4	-1000000000.00000000	-0.11751802	-0.04590122	-0.00619834
5	0.14821073	0.00000000	0.20004288	0.22841843	0.25101566
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
5	-1000000000.00000000	-0.06349923	0.00000000	0.03452822	0.09241384
6	0.06654194	0.00000000	0.02305904	0.03318408	0.05027631	0.11592922
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.10288968	0.00537340	0.03410490
5	0.03401271	0.01304212	0.01150369	0.00000000	0.04099430
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
6	-1000000000.00000000	-0.04209861	-0.00683304	0.00000000	0.09373443	0.25948495
7	0.01463686	0.01463686	0.06031236	0.00481694	0.01627407	0.01145713	0.01463686
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.02711285	0.02173705	0.02949571
5	0.05039641	0.05039641	0.00000000	0.01291240	0.05039641
91	0.00000000	DIFF WITH +1 # PAIRS
6	-1000000000.00000000	-5.00000000	-4.00000000	-3.00000000	0.00000000	1.00000000
7	0.03522277	0.03522277	-0.02424878	-0.03730190	-0.05947155	0.01305312	0.03522277
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
6	-1000000000.00000000	-4.00000000	-3.00000000	0.00000000	1.00000000	2.00000000
7	0.09665707	0.09665707	-0.09130242	-0.18795949	-0.15077072	-0.03939438	0.09665707
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
3	-1000000000.00000000	-2.00000000	-1.00000000
4	-0.01052059	-0.01052059	0.00000000	-0.01052059
95	0.00000000	DIFF WITH +1 # H2O PAIRS
5	-1000000000.00000000	-4.00000000	-2.00000000	0.00000000	2.00000000
6	-0.04291144	0.04747867	-0.12204672	-0.26564787	-0.27725864	-0.20474545
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
3	-1000000000.00000000	0.00000000	1.00000000
4	-0.00317489	-0.00317489	0.00000000	-0.00317489
97	0.00000000	DIFF WITH +1 INTEN PAIRS
8	-1000000000.00000000	-0.28852561	-0.03012948	0.00221291	0.01459770	0.03682891	0.09413023	0.16318414
9	-0.01753863	-0.01753863	-0.24480366	-0.22142305	0.07109385	-0.03737227	0.02128857	-0.00763264	-0.01753863
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.43729642	-0.18136224	-0.02920155	-0.01746716	-0.00622782	0.00000000
8	-0.01595653	-0.01595653	-0.02463536	-0.05982886	-0.02427785	0.00000000	-0.05115003	-0.01595653
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
5	-1000000000.00000000	-0.05304374	-0.01388215	0.01095344	0.09293379
6	0.00000000	0.00000000	-0.02835277	-0.06138972	-0.04579081	0.00000000
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.05096545	-0.01525179	0.02535575
5	0.00000000	0.00000000	-0.00892358	-0.02628793	0.00000000
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
6	-1000000000.00000000	-0.20242976	-0.10396008	-0.00137813	0.09942870	0.18909204
7	-0.04990159	-0.00949874	-0.06416408	-0.05466534	-0.10435659	-0.16276674	-0.12067939
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.01117199	0.01420114	0.07628400
5	0.00000000	0.00000000	-0.02675091	-0.07288150	0.00000000
103	0.00000000	DIFF WITH +2 # PAIRS
4	-1000000000.00000000	-5.00000000	-1.00000000	2.00000000
5	-0.01584558	-0.01584558	0.01966989	-0.00950160	-0.01584558
104	0.00000000	DIFF WITH +2 # STRONG PAIRS
6	-1000000000.00000000	-5.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
7	-0.08191738	-0.08191738	-0.07226712	0.02799922	-0.02012611	-0.03744725	-0.08191738
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00663908	0.00663908	-0.00350920	0.00663908
109	0.00000000	DIFF WITH +2 INTEN PAIRS
8	-1000000000.00000000	-0.20028314	-0.07200084	0.00000000	0.01081558	0.04437554	0.06901240	0.19196407
9	0.24273826	-0.01237317	0.12256484	0.10955302	0.16110743	0.14415356	0.25548392	0.18345254	0.18034446
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.19840008	-0.07079429	-0.00089354	0.00442708	0.04228217	0.18951203
8	0.08120594	0.02813238	0.07094004	0.05733024	-0.00731644	0.08537843	0.00238556	0.02975365
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
5	-1000000000.00000000	-0.09601521	-0.01865209	-0.01236779	0.04783813
6	0.03559466	0.03559466	-0.04234177	-0.03315971	0.00890034	0.03559466
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
8	-1000000000.00000000	-0.10834731	-0.06884988	-0.04823239	-0.02699972	0.00000000	0.00355867	0.01926264
9	0.04706035	0.04706035	0.02321698	-0.03855921	-0.05870901	0.02112927	-0.00977084	-0.03118156	0.04706035
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
5	-1000000000.00000000	-0.17735729	-0.01472896	0.00944496	0.03610630
6	0.07074087	-0.00032838	0.02015917	-0.01096374	0.06010551	0.07074087
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.07902470	-0.01091554	0.01412013
5	0.05902168	0.05902168	-0.02876689	0.05513056	0.05902168
115	0.00000000	DIFF +1/-1 # PAIRS
3	-1000000000.00000000	-3.00000000	0.00000000
4	0.00151569	0.00151569	0.00000000	0.00151569
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
5	-1000000000.00000000	-5.00000000	-2.00000000	1.00000000	2.00000000
6	0.06195573	0.06195573	0.02585269	0.00000000	0.05539221	0.06195573
117	0.00000000	DIFF +1/-1 # C2 PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.03525331	0.03525331	0.00000000	0.01066602	0.03525331
119	0.00000000	DIFF +1/-1 # H2O PAIRS
5	-1000000000.00000000	-4.00000000	-1.00000000	1.00000000	2.00000000
6	0.11622845	0.02740860	0.00000000	0.01617760	0.10211185	0.15577090
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.00000000	0.00000000	0.03257750	0.01910528	0.00000000
121	0.00000000	DIFF +1/-1 INTEN PAIRS
13	-1000000000.00000000	-0.32672992	-0.21353149	-0.12961756	-0.04686959	-0.02838683	-0.01656112	-0.00873942	-0.00223273	0.00000000	0.00188079	0.00852976	0.04377039
14	0.13582188	0.13582188	0.15227775	0.24607982	0.30905770	0.29961701	0.24409914	0.22293082	0.11126330	0.02070649	0.02227942	0.07662622	0.15652838	0.13582188
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
8	-1000000000.00000000	-0.32226223	-0.07633147	-0.01447967	0.00049448	0.01384095	0.06985901	0.11430657
9	0.05774297	0.05774297	0.06824542	0.07617148	0.01842851	0.03014118	0.07785321	0.04771203	0.05774297
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
7	-1000000000.00000000	-0.04436591	-0.00409039	0.01432193	0.03975886	0.05417825	0.07440270
8	0.00480692	0.00480692	0.08643089	0.08162397	0.08643089	0.03119655	0.01446327	0.00480692
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
5	-1000000000.00000000	-0.01745868	0.02196950	0.05214221	0.07442635
6	0.00000000	0.00000000	0.05380768	0.04002149	0.01855907	0.00216210
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
5	-1000000000.00000000	-0.20197126	0.03396139	0.07632281	0.25319463
6	0.04337383	0.04337383	0.06636491	0.06481577	0.00000000	0.04337383
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
7	-1000000000.00000000	-0.03616165	-0.01279049	0.00094004	0.01176147	0.02355349	0.03188207
8	0.05617880	0.05617880	0.04816799	0.08865587	0.01637129	0.02274083	0.08057649	0.05617880
0
127
97
0	0.00000000	OFFSET FROM MEASURED M/Z
13	-1000000000.00000000	-1.45397949	-1.05395508	-0.95397949	-0.85394287	-0.65399170	-0.60394287	-0.50396729	-0.40399170	-0.00396729	0.09600830	0.19604492	0.69604492
14	-0.28394851	-0.28394851	-0.17995849	-0.09149886	0.07548783	-0.00494340	0.00079520	0.28193641	0.42351054	0.43821032	0.12064905	0.00218990	-0.12353475	-0.28394851
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
7	-1000000000.00000000	-1.75396729	-1.30395508	-0.95397949	-0.50396729	0.24603271	0.44604492
8	0.01242601	0.01242601	0.04955889	-0.02580924	0.00976401	-0.02781774	-0.01707408	0.01242601
2	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=4
4	-1000000000.00000000	-0.55395508	-0.45397949	0.34600830
5	-0.05082212	-0.05082212	-0.03603528	0.00290399	-0.05082212
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
6	-1000000000.00000000	-0.90399170	-0.80395508	-0.45397949	-0.25396729	-0.05395508
7	0.17843060	0.10299985	0.09536096	0.01393452	0.07627672	0.04344874	0.25173889
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
12	-1000000000.00000000	-1.75396729	-1.45397949	-1.30395508	-1.00396729	-0.80395508	-0.60394287	-0.45397949	-0.15399170	0.04602051	0.34600830	0.69604492
13	0.11411690	0.11411690	0.13760300	0.40847049	0.37116237	0.50012618	0.41749381	0.44730409	0.51032474	0.48983579	0.33099932	0.15126789	0.11411690
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
7	-1000000000.00000000	-1.75396729	-0.50396729	-0.45397949	-0.25396729	-0.05395508	-0.00396729
8	0.73992437	-0.45026730	0.64064514	0.71747232	0.79272665	0.66790538	0.97035150	0.83053421
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
8	-1000000000.00000000	-1.70397949	-1.30395508	-0.95397949	-0.85394287	-0.75396729	-0.40399170	-0.10394287
9	0.09355598	0.09355598	0.09493513	0.07873865	0.09156795	0.08767387	0.00858579	0.06869265	0.09355598
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
10	-1000000000.00000000	-1.05395508	-0.95397949	-0.85394287	-0.75396729	-0.50396729	-0.40399170	-0.30395508	-0.20397949	0.19604492
11	-0.21199103	-0.21199103	-0.18657898	-0.09606450	-0.10341255	-0.11759613	-0.04933496	-0.02153163	-0.09522934	-0.15342165	-0.21199103
12	0.00000000	# STRONG PAIRS
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.00174256	-0.00174256	0.10036477	-0.08302700	-0.00032218
15	0.00000000	# H2O PAIRS
6	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
7	0.08934061	-0.12065518	-0.08966037	-0.01433807	0.09333641	0.20735205	0.24337198
17	0.00000000	INTEN PAIRS
5	-1000000000.00000000	0.00083150	0.01170667	0.03652095	0.16877188
6	0.00264574	0.00835364	0.02293186	-0.00722430	-0.02341831	-0.00330627
18	0.00000000	INTEN STRONG PAIRS
3	-1000000000.00000000	0.00000000	0.06295623
4	-0.00724363	-0.00724363	0.00446444	-0.00724363
19	0.00000000	INTEN C2 PAIRS
4	-1000000000.00000000	0.01579964	0.02309031	0.05559609
5	-0.00572126	-0.00572126	0.00309421	0.00029218	-0.00572126
20	0.00000000	INTEN STRONG C2 PAIRS
3	-1000000000.00000000	0.02315605	0.03598947
4	0.00618567	0.00618567	-0.00925904	0.00618567
21	0.00000000	INTEN H2O PAIRS
6	-1000000000.00000000	0.00000000	0.01537086	0.02627766	0.05140042	0.29256326
7	-0.04222990	-0.07800284	-0.02731090	0.04321027	0.06697203	0.08149853	0.02344370
22	0.00000000	INTEN C2 H2O PAIRS
5	-1000000000.00000000	0.00000000	0.01132035	0.04882711	0.05858239
6	0.00793817	0.00793817	-0.00889649	0.00379982	-0.03554049	0.00793817
24	0.00000000	AVG OFFSET TOP (STRONG 3)
5	-1000000000.00000000	0.09004211	0.14031474	0.19230652	0.20162964
6	0.01148802	0.03753405	0.04333527	0.03893293	0.03753405	-0.00297542
25	0.00000000	AVG OFFSET TOP (STRONG 4)
10	-1000000000.00000000	0.05455017	0.08213425	0.08866119	0.10113144	0.10693741	0.14651871	0.15275574	0.17512131	0.18423462
11	0.05853430	0.11210636	0.11980337	0.15059613	0.15211085	0.14141180	0.15211085	0.08510046	0.09327355	0.08063672	0.01887214
26	0.00000000	AVG OFFSET TOP (STRONG 5)
6	-1000000000.00000000	0.05400391	0.12260132	0.12742920	0.13219604	0.19856262
7	0.01860754	0.01860754	0.09881885	0.08021131	0.08978517	0.09881885	0.01860754
27	0.00000000	AVG OFFSET TOP (STRONG 6)
3	-1000000000.00000000	0.07024129	0.16695912
4	0.00000000	0.00000000	0.07302384	0.00000000
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
6	-1000000000.00000000	0.01457892	0.02317098	0.04712423	0.09089152	0.18290710
7	-0.02366982	0.01411453	0.00847584	-0.05524886	-0.04958736	-0.05524886	-0.04961017
35	0.00000000	MEAN OFFSET STRONG PAIRS
7	-1000000000.00000000	0.16587321	0.34246826	0.36887613	0.39420572	0.40617880	0.41747031
8	0.03736602	0.03736602	-0.00721465	-0.02857996	-0.01082976	-0.00884501	0.00104914	0.03736602
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
9	-1000000000.00000000	0.01904678	0.03620402	0.07178073	0.17123413	0.18443806	0.19710286	0.20308940	0.20873515
10	0.09630470	0.09630470	0.02431144	-0.03360082	0.00159122	-0.03120310	0.00594505	0.01178889	0.06206851	0.09630470
37	0.00000000	MEAN OFFSET C2 PAIRS
6	-1000000000.00000000	0.22333781	0.24735515	0.33745322	0.39615884	0.41548666
7	-0.00116691	-0.00116691	0.00442129	0.00017078	-0.02239466	0.01524123	-0.00116691
38	0.00000000	WEIGHTED MEAN OFFSET C2 PAIRS
6	-1000000000.00000000	0.05169678	0.09922282	0.16858928	0.19807942	0.20774333
7	-0.00239739	-0.00239739	0.00040404	-0.00471370	-0.01078634	0.00070398	-0.00239739
45	0.00000000	PAIR OFFSET (STRONG 1)
8	-1000000000.00000000	0.03247070	0.08551025	0.11755371	0.12857056	0.15145874	0.22546387	0.24548340
9	0.01887911	0.01887911	0.01594487	0.01453806	0.04494251	0.05673701	-0.02677551	-0.01882857	0.01887911
46	0.00000000	PAIR OFFSET (STRONG 2)
9	-1000000000.00000000	0.01953125	0.05941772	0.06939697	0.07940674	0.13159180	0.15258789	0.16357422	0.24249268
10	0.04554024	0.04554024	0.03825447	0.03667195	0.02137431	0.01819075	0.01958544	0.01517297	0.00139469	0.04554024
47	0.00000000	PAIR OFFSET (STRONG 3)
3	-1000000000.00000000	0.05450439	0.22549438
4	0.00000000	0.00000000	-0.00944941	0.00000000
48	0.00000000	PAIR OFFSET (STRONG 4)
3	-1000000000.00000000	0.05145264	0.18054199
4	0.00724152	0.00724152	0.00000000	0.00724152
49	0.00000000	PAIR OFFSET (STRONG 5)
4	-1000000000.00000000	0.16043091	0.18551636	0.19750977
5	0.01059205	0.01059205	0.00000000	0.00295274	0.01059205
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
6	-1000000000.00000000	0.03240967	0.09558105	0.14845276	0.19061279	0.24261475
7	0.02207893	0.05673686	0.04808191	0.05594018	-0.00406783	0.04219560	-0.01580149
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
4	-1000000000.00000000	0.07260132	0.10446167	0.15747070
5	0.01978327	0.01978327	0.00982240	0.00000000	0.01978327
55	0.00000000	NUM STRICT 0
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.03066198	-0.11414069	0.03299343	0.17977097	0.21684076
56	0.00000000	INTEN STRICT 0
6	-1000000000.00000000	0.00202184	0.01948308	0.03115423	0.03963359	0.09167949
7	-0.01723285	-0.06719024	-0.01975562	0.02771442	0.05048256	0.05480252	0.05934438
57	0.00000000	NUM STRICT 1
7	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000	6.00000000
8	-0.03301735	-0.21696534	-0.14084643	0.08518620	0.34174351	0.38737072	0.47555102	0.46408504
58	0.00000000	INTEN STRICT 1
8	-1000000000.00000000	0.00000000	0.00936171	0.01310026	0.02226253	0.05481699	0.10978607	0.14208575
9	-0.06828797	-0.16978925	-0.10673763	-0.01987969	-0.00320825	0.06079921	0.07285174	0.13519761	0.11800550
59	0.00000000	NUM STRICT 2
7	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000	6.00000000
8	-0.04701678	-0.34750264	-0.29364464	-0.10225318	0.01727105	0.09229859	0.16056910	0.26085225
60	0.00000000	INTEN STRICT 2
9	-1000000000.00000000	0.00000000	0.00440815	0.00865226	0.03631892	0.04633560	0.07523067	0.09717566	0.12609598
10	0.00066499	-0.11153601	-0.05657832	0.01608707	0.03841925	0.00750299	0.00610852	0.08776263	0.11099212	0.13106973
61	0.00000000	NUM C2 STRICT 0
2	-1000000000.00000000	0.00000000
3	0.00804584	0.01736312	-0.02145478
62	0.00000000	INTEN C2 STRICT 0
3	-1000000000.00000000	0.00000000	0.05670065
4	0.00419345	0.05180456	0.02220675	-0.06987386
64	0.00000000	INTEN C2 STRICT 1
5	-1000000000.00000000	0.00000000	0.01657388	0.02195829	0.04134297
6	-0.00812246	-0.00812246	-0.00620308	0.00052154	0.01264458	-0.00812246
66	0.00000000	INTEN C2 STRICT 2
3	-1000000000.00000000	0.00410727	0.01227796
4	-0.00042581	0.01082628	-0.00119080	-0.01654072
67	0.00000000	DIFF WITH -2 # PAIRS
9	-1000000000.00000000	-4.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000
10	0.20450050	0.30327164	0.23228883	0.30327164	0.29766498	0.24577919	0.20351910	0.25077503	0.18015873	0.11823875
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
6	-1000000000.00000000	-5.00000000	-3.00000000	-1.00000000	0.00000000	2.00000000
7	0.15794291	0.16740466	0.00946175	0.09809940	0.11927687	0.16740466	0.15794291
69	0.00000000	DIFF WITH -2 # C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00288976	0.00288976	0.00000000	0.00288976
70	0.00000000	DIFF WITH -2 # STRONG C2 PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.04999564	0.04700841	0.02792893	0.05374080	0.02581187	0.05941425
71	0.00000000	DIFF WITH -2 # H2O PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000	2.00000000
7	0.08861912	0.03578871	0.05632360	0.12061302	0.09469217	0.08482432	0.12061302
72	0.00000000	DIFF WITH -2 # C2 H2O PAIRS
2	-1000000000.00000000	-2.00000000
3	0.03053683	0.00000000	0.05530455
73	0.00000000	DIFF WITH -2 INTEN PAIRS
11	-1000000000.00000000	-0.37276316	-0.22417170	-0.08222879	-0.00421580	0.00000000	0.02891649	0.04164425	0.05942591	0.08807428	0.14143512
12	0.13731499	0.13731499	0.16948324	0.18866475	0.22943492	0.21744975	0.22943492	0.39595122	0.31652401	0.40173946	0.35607223	0.34973391
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
12	-1000000000.00000000	-0.21988003	-0.08014990	-0.05178998	-0.03403726	-0.02239459	-0.01271838	0.00000000	0.01802341	0.03999539	0.08637488	0.13938221
13	0.36167438	0.21950922	0.48744533	0.47370397	0.38036887	0.51064569	0.41979519	0.48366432	0.50341521	0.51064569	0.48906342	0.49065578	0.50309220
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
16	-1000000000.00000000	-0.07169633	-0.03837002	-0.02861772	-0.01554764	-0.01060317	-0.00571054	0.00001126	0.00578231	0.01050434	0.01526375	0.02068971	0.02738266	0.03594658	0.04702822	0.06213598
17	0.46859104	0.45819199	0.35989228	0.47742500	0.41004408	0.38665617	0.30560243	0.34769430	0.43473826	0.33590620	0.36484992	0.29466899	0.39651351	0.39476414	0.37745678	0.38623491	0.47742500
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
10	-1000000000.00000000	-0.07757071	-0.04879580	-0.02124798	-0.00952119	-0.00196969	0.00000000	0.00927811	0.04140912	0.05732108
11	0.17223058	0.14451636	0.10836034	0.05552996	0.10782392	0.09820909	0.11328878	0.19219456	0.21692020	0.17100506	0.21692020
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
15	-1000000000.00000000	-0.32968643	-0.20888020	-0.14209193	-0.09926223	-0.03062689	0.00000000	0.00401826	0.01094188	0.01918271	0.05856933	0.07917111	0.10593273	0.14141135	0.25942963
16	0.29134454	0.19696084	0.16174484	0.21374930	0.27849946	0.24833357	0.31095489	0.34581316	0.34289230	0.32645361	0.30563625	0.31871616	0.39183334	0.32008753	0.36401378	0.36546939
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
13	-1000000000.00000000	-0.09824427	-0.06340171	-0.03344680	-0.01854614	-0.01335367	-0.00878426	-0.00378300	0.00000000	0.00525526	0.00975457	0.02469939	0.03197901
14	0.20154453	0.19752595	0.12379587	0.17208692	0.10380041	0.13596079	0.14578047	0.11647238	0.13480782	0.17276248	0.14796025	0.17255659	0.17115757	0.20623135
79	0.00000000	DIFF WITH -1 # PAIRS
5	-1000000000.00000000	-6.00000000	-4.00000000	1.00000000	3.00000000
6	0.00000000	0.00000000	0.04272178	0.07128742	0.06558790	0.00000000
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.04231307	0.00000000	0.03949218	0.07977771	0.08564034
81	0.00000000	DIFF WITH -1 # C2 PAIRS
3	-1000000000.00000000	-1.00000000	1.00000000
4	0.00326845	0.00326845	0.00000000	0.00326845
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	0.02902246	0.02902246	0.04746184	0.00000000	0.02902246
83	0.00000000	DIFF WITH -1 # H2O PAIRS
4	-1000000000.00000000	-2.00000000	0.00000000	2.00000000
5	0.00000000	0.00000000	0.00142609	0.02934005	0.02791396
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
3	-1000000000.00000000	-2.00000000	0.00000000
4	0.04359743	0.04359743	0.00000000	0.04359743
85	0.00000000	DIFF WITH -1 INTEN PAIRS
5	-1000000000.00000000	-0.10155373	-0.03130376	0.00000000	0.00574255
6	0.04692192	0.00000000	0.06917577	0.07198382	0.09439158	0.09009009
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
4	-1000000000.00000000	-0.04421438	-0.02956030	0.01559398
5	0.08379982	0.00000000	0.13644982	0.14418228	0.14557309
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
7	-1000000000.00000000	-0.05762834	0.00000000	0.00473483	0.00962408	0.02631025	0.06061178
8	0.01140828	0.01140828	0.01946198	0.09185692	0.01813038	0.00139157	0.01279985	0.01140828
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.02980158	0.00000000	0.04045192
5	0.02666661	0.02666661	0.00000000	0.00513442	0.02666661
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
7	-1000000000.00000000	-0.33920717	-0.08731958	-0.02077318	0.00877693	0.07830678	0.10740068
8	0.00645148	0.00645148	0.00000000	0.08599122	0.08889063	0.03865046	0.00956795	0.00645148
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
5	-1000000000.00000000	-0.04947069	-0.02103155	0.01803381	0.05258340
6	0.00000000	0.00000000	0.01246485	0.01896538	0.01610123	0.00000000
91	0.00000000	DIFF WITH +1 # PAIRS
7	-1000000000.00000000	-5.00000000	-4.00000000	-2.00000000	1.00000000	2.00000000	3.00000000
8	0.07289581	0.14820320	0.08774224	-0.09259962	-0.15059584	-0.04784701	-0.06109954	-0.01052137
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
4	-1000000000.00000000	-5.00000000	0.00000000	2.00000000
5	-0.00781313	0.00748303	-0.07973067	-0.05431309	-0.01822696
93	0.00000000	DIFF WITH +1 # C2 PAIRS
4	-1000000000.00000000	-2.00000000	0.00000000	1.00000000
5	0.00000000	0.00000000	-0.03776298	-0.04233392	0.00000000
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	-0.01548361	-0.01548361	0.00000000	-0.01548361
95	0.00000000	DIFF WITH +1 # H2O PAIRS
6	-1000000000.00000000	-4.00000000	-3.00000000	-1.00000000	1.00000000	2.00000000
7	0.05014618	0.11377419	-0.00802321	-0.11264635	-0.16541248	-0.12779857	-0.01925467
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	1.00000000
4	-0.00594305	-0.00594305	0.00000000	-0.00594305
97	0.00000000	DIFF WITH +1 INTEN PAIRS
8	-1000000000.00000000	-0.37606716	-0.23891124	-0.15329570	-0.03081520	0.00487622	0.05602321	0.08504359
9	0.15252325	0.15252325	0.09114625	-0.00741176	-0.06137700	-0.00934613	0.00000000	0.09855801	0.15252325
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
8	-1000000000.00000000	-0.37268084	-0.23528364	-0.15087086	-0.04406000	-0.02954804	0.00000000	0.02412662
9	0.05651173	0.05651173	-0.04042202	-0.06565608	-0.08565823	-0.05468841	-0.02735735	0.06264243	0.05651173
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
5	-1000000000.00000000	-0.04805756	-0.00541981	0.00000000	0.06033827
6	-0.06064687	-0.06064687	-0.04534844	-0.05480519	-0.00945675	-0.06064687
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
5	-1000000000.00000000	-0.03215545	-0.02555639	0.00640966	0.01326303
6	-0.04132675	-0.05613456	0.00000000	-0.01181478	-0.01764903	-0.02448973
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
11	-1000000000.00000000	-0.36551842	-0.23817416	-0.12085682	-0.08715921	-0.00222372	0.00000000	0.00392892	0.08609695	0.11690777	0.22113818
12	-0.03674166	-0.02656799	-0.06378467	-0.01136503	-0.06417686	-0.08037971	-0.21456770	-0.14512246	-0.11408431	-0.08823266	-0.07147433	-0.05333782
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
7	-1000000000.00000000	-0.04098846	-0.01839028	0.00700095	0.01168781	0.03913818	0.05168301
8	-0.00485219	-0.00485219	-0.01446100	-0.02901219	-0.02295671	0.00000000	-0.00152579	-0.00485219
103	0.00000000	DIFF WITH +2 # PAIRS
4	-1000000000.00000000	-3.00000000	-1.00000000	1.00000000
5	-0.04399541	-0.04399541	0.00761128	-0.01838596	-0.04399541
104	0.00000000	DIFF WITH +2 # STRONG PAIRS
3	-1000000000.00000000	-5.00000000	2.00000000
4	-0.00146419	-0.00146419	0.00586733	-0.00146419
107	0.00000000	DIFF WITH +2 # H2O PAIRS
6	-1000000000.00000000	-4.00000000	-2.00000000	0.00000000	1.00000000	2.00000000
7	-0.03318804	-0.03318804	0.04315586	0.00134330	-0.06068830	-0.02721210	-0.03318804
109	0.00000000	DIFF WITH +2 INTEN PAIRS
14	-1000000000.00000000	-0.39527580	-0.25560257	-0.16002996	-0.06233659	-0.04044932	-0.02637058	-0.00380434	0.00000000	0.01412579	0.02157132	0.03164404	0.04568484	0.06674702
15	-0.02676791	-0.32505352	-0.27231271	-0.16021738	-0.04784783	0.03794743	0.04074265	0.03653717	0.01621843	0.01901608	0.15566458	0.14266864	0.05577526	0.12421215	0.11789635
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
4	-1000000000.00000000	-0.39151534	-0.00360378	0.16042773
5	-0.03668905	-0.03668905	0.01383559	-0.01704409	-0.03668905
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
6	-1000000000.00000000	-0.06023393	-0.02593456	0.01397890	0.01945816	0.06097810
7	-0.00655481	-0.00655481	0.05895330	0.05613475	-0.00176148	-0.04866430	-0.00655481
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
7	-1000000000.00000000	-0.08796817	-0.05493345	0.00000000	0.01362315	0.01913746	0.04039480
8	0.02093430	0.00874273	-0.06330258	-0.10529224	-0.08031252	0.01028962	0.02524590	0.03474520
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
7	-1000000000.00000000	-0.41035926	-0.14290939	-0.07371493	-0.01145567	0.01317188	0.25847742
8	-0.01776275	-0.03212996	-0.04068391	-0.03208297	0.05502110	0.04969325	0.12069773	0.06497651
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.05323791	0.01612711	0.05064079
5	0.00008240	-0.01338972	0.03378834	0.04356977	0.03771253
115	0.00000000	DIFF +1/-1 # PAIRS
6	-1000000000.00000000	-4.00000000	-3.00000000	-1.00000000	3.00000000	4.00000000
7	0.00834650	0.00834650	0.01096026	0.02189254	0.00578391	0.00000000	0.00834650
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
6	-1000000000.00000000	-4.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
7	0.04348304	0.03226405	0.09865152	0.12586392	0.05319698	0.02679468	0.05905873
119	0.00000000	DIFF +1/-1 # H2O PAIRS
6	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
7	0.10162673	0.02430383	0.00000000	0.04376473	0.05722773	0.11490469	0.14430883
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.00000000	0.00000000	0.03650472	0.03789274	0.02127821	0.00000000
121	0.00000000	DIFF +1/-1 INTEN PAIRS
6	-1000000000.00000000	-0.10977254	-0.00575091	0.00000000	0.02778592	0.15870348
7	0.08004184	0.03086371	0.16021712	0.11317445	0.18645705	0.15480452	0.14606941
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.17076512	-0.10691555	-0.00697369	0.00433911	0.06371193	0.15573478
8	0.04930295	0.04930295	0.07542764	0.08388717	0.02143758	0.07850796	0.08881658	0.04930295
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
9	-1000000000.00000000	-0.07731820	-0.05585761	-0.03134257	-0.02335454	-0.00109583	0.00584070	0.02851453	0.03763042
10	0.02372677	0.02372677	0.01925192	0.01769533	0.00289248	0.06578308	0.04673687	0.04962935	0.03575154	0.02372677
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.01728112	0.01568576	0.03298340
5	0.02471919	0.03054354	0.03790403	0.06405525	0.00000000
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
9	-1000000000.00000000	-0.13928537	-0.00305705	0.00000000	0.00592774	0.02533123	0.05807284	0.08154923	0.15246938
10	0.10924472	0.08873146	0.06003169	0.00000000	0.07234954	0.08821535	0.11439073	0.12177737	0.13556849	0.14000033
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
10	-1000000000.00000000	-0.10207068	-0.06646374	-0.02666739	-0.00974917	0.00000000	0.00525996	0.01426672	0.01911984	0.03241090
11	0.03187591	0.03187591	0.08289731	0.04545046	0.05050119	0.03987059	0.07778186	0.09457328	0.12139083	0.12002473	0.03187591
0
127
99
0	0.00000000	OFFSET FROM MEASURED M/Z
14	-1000000000.00000000	-1.50811768	-1.10809326	-1.00811768	-0.80810547	-0.60809326	-0.55810547	-0.45812988	-0.35809326	0.04187012	0.14190674	0.24188232	0.39190674	0.49188232
15	-0.43291719	-0.50172227	-0.25244723	-0.17322893	-0.06427859	-0.07344650	0.01754863	0.15689607	0.38019428	0.40070559	0.08485537	-0.01609614	-0.22532666	-0.24567588	-0.36563709
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
4	-1000000000.00000000	-0.95812988	-0.55810547	-0.10809326
5	-0.04341130	-0.04341130	0.00000000	-0.00579959	-0.04341130
2	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=4
3	-1000000000.00000000	-0.60809326	0.49188232
4	-0.03095355	-0.03095355	0.01924728	-0.03095355
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
7	-1000000000.00000000	-1.55810547	-0.85809326	-0.80810547	-0.70812988	-0.05810547	0.29187012
8	0.02687052	-0.06345269	0.10218602	0.08775894	0.04638660	0.04426631	0.26765632	0.10201761
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
13	-1000000000.00000000	-1.55810547	-1.05810547	-0.95812988	-0.75811768	-0.35809326	-0.20812988	-0.10809326	-0.00811768	0.09185791	0.29187012	0.39190674	0.54187012
14	0.00910214	0.00910214	0.51790257	0.60406043	0.66146618	0.65236405	0.68653076	0.66605530	0.60675412	0.45353026	0.44758944	0.31498281	0.20259147	0.00910214
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
8	-1000000000.00000000	-1.85809326	-0.50811768	-0.40814209	-0.30810547	-0.25811768	-0.10809326	-0.00811768
9	-0.13683120	-0.16774127	0.85538759	0.92433896	0.92576139	0.85084655	0.84378151	0.95275507	0.91147536
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
5	-1000000000.00000000	-1.55810547	-0.70812988	-0.25811768	-0.15814209
6	-0.00144869	-0.00144869	0.09182592	0.05087319	0.00914488	-0.00144869
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
8	-1000000000.00000000	-1.55810547	-0.90814209	-0.80810547	-0.55810547	-0.45812988	-0.25811768	-0.15814209
9	-0.08882228	-0.08882228	-0.05264258	-0.04666932	-0.05551019	-0.02691087	-0.00884087	-0.05551019	-0.08882228
12	0.00000000	# STRONG PAIRS
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.01909064	-0.01909064	0.09128042	-0.11245261	-0.01909064
15	0.00000000	# H2O PAIRS
5	-1000000000.00000000	1.00000000	2.00000000	3.00000000	4.00000000
6	0.08420208	-0.16293870	-0.04109169	0.11405468	0.12721256	0.21901313
17	0.00000000	INTEN PAIRS
8	-1000000000.00000000	0.00238124	0.01112718	0.01421518	0.03804455	0.05519340	0.06754442	0.15483695
9	-0.07665384	-0.06933368	0.08793747	0.07113496	0.06558735	0.00743026	-0.07836417	-0.09173227	-0.08669690
18	0.00000000	INTEN STRONG PAIRS
5	-1000000000.00000000	0.00000000	0.01496523	0.02536349	0.14613585
6	-0.02431741	-0.02431741	0.00337566	0.03022723	-0.02619902	-0.02431741
19	0.00000000	INTEN C2 PAIRS
6	-1000000000.00000000	0.01274262	0.02943419	0.03425033	0.04641598	0.09968571
7	0.02934410	0.02934410	0.01434087	-0.00412099	-0.00988391	0.00412550	0.02934410
21	0.00000000	INTEN H2O PAIRS
6	-1000000000.00000000	0.00531707	0.02382462	0.02897384	0.08708873	0.10630334
7	0.00855603	0.00855603	-0.05224526	-0.01559143	0.00318177	0.03337073	0.00855603
22	0.00000000	INTEN C2 H2O PAIRS
7	-1000000000.00000000	0.00930453	0.02732494	0.03691924	0.05001980	0.07124425	0.09003461
8	0.03296600	0.03296600	0.01564239	0.01282857	0.00778649	-0.03108971	0.00871332	0.03296600
23	0.00000000	AVG OFFSET TOP (STRONG 2)
9	-1000000000.00000000	0.06188965	0.09585571	0.15667725	0.17311859	0.20718384	0.21635437	0.22511292	0.24540710
10	0.10092024	0.12878468	0.08466188	0.13219923	0.11306421	0.12300897	0.11319484	0.04587797	0.05165368	0.03803463
24	0.00000000	AVG OFFSET TOP (STRONG 3)
4	-1000000000.00000000	0.07309977	0.08463541	0.18778992
5	0.00000000	0.00000000	0.00137566	0.00337124	0.00000000
25	0.00000000	AVG OFFSET TOP (STRONG 4)
7	-1000000000.00000000	0.06808090	0.16558838	0.18045807	0.18920135	0.19904709	0.22399902
8	0.00000000	0.07448513	0.09121434	0.06389832	0.04718643	0.01672921	0.00490577	0.00000000
26	0.00000000	AVG OFFSET TOP (STRONG 5)
6	-1000000000.00000000	0.07371216	0.08622436	0.17046508	0.17963867	0.20327148
7	0.01277516	0.03465160	0.03813402	0.07805726	0.07567940	0.01971147	0.00000000
27	0.00000000	AVG OFFSET TOP (STRONG 6)
7	-1000000000.00000000	0.07177988	0.08753458	0.09661102	0.14352925	0.15716553	0.18828838
8	0.04903148	0.04903148	0.05372527	0.04348114	0.05372527	0.01493792	0.05372527	0.04903148
33	0.00000000	MEAN OFFSET PAIRS
5	-1000000000.00000000	0.13810222	0.20150757	0.24981689	0.39890543
6	0.01516012	0.02811790	0.01983600	-0.02440210	-0.03217204	0.01516012
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
3	-1000000000.00000000	0.02145068	0.02877045
4	-0.00046322	0.02629978	-0.03044175	-0.04346172
35	0.00000000	MEAN OFFSET STRONG PAIRS
3	-1000000000.00000000	0.24285889	0.40775552
4	0.00000000	0.00000000	-0.01944857	0.00000000
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
7	-1000000000.00000000	0.01797994	0.03260040	0.08076986	0.16687012	0.19819641	0.20387776
8	0.05286967	0.05286967	0.01827110	-0.02627755	-0.06564634	-0.07788473	-0.06225335	0.05286967
37	0.00000000	MEAN OFFSET C2 PAIRS
4	-1000000000.00000000	0.15528361	0.22621663	0.35359702
5	-0.00442154	-0.00442154	0.00622260	0.00344419	-0.00442154
45	0.00000000	PAIR OFFSET (STRONG 1)
9	-1000000000.00000000	0.02166748	0.06427002	0.07482910	0.09619141	0.14030457	0.17337036	0.20477295	0.24465942
10	-0.04068501	0.00209108	0.02217620	0.01929175	-0.00671889	-0.00533026	-0.01165968	-0.03267270	-0.01568420	-0.05584385
46	0.00000000	PAIR OFFSET (STRONG 2)
8	-1000000000.00000000	0.06018066	0.08071899	0.13330078	0.17572021	0.19732666	0.21978760	0.24224854
9	0.10619343	0.10478811	0.10157964	0.05638050	0.10619343	0.07917009	0.06302824	0.04981292	0.07917009
47	0.00000000	PAIR OFFSET (STRONG 3)
5	-1000000000.00000000	0.01873779	0.03717041	0.07562256	0.12580872
6	-0.01037743	-0.01037743	-0.00116413	0.00168593	-0.00416707	-0.01037743
48	0.00000000	PAIR OFFSET (STRONG 4)
8	-1000000000.00000000	0.01773071	0.02615356	0.05322266	0.08074951	0.09025574	0.16229248	0.17419434
9	-0.00873573	-0.00026634	0.02089519	0.04492730	0.03106985	0.02374041	0.01692598	0.00031622	-0.01556693
49	0.00000000	PAIR OFFSET (STRONG 5)
6	-1000000000.00000000	0.01615906	0.09481812	0.10437012	0.17636108	0.20286560
7	0.01554178	0.01554178	0.04264448	0.04128236	0.00803774	0.02357952	0.01554178
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
8	-1000000000.00000000	0.02124023	0.06427002	0.10577393	0.12677002	0.15887451	0.21130371	0.24285889
9	0.01984344	0.01984344	0.01408563	0.03210709	0.05851549	0.04442986	0.05851549	0.04735375	0.01984344
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
6	-1000000000.00000000	0.01074219	0.05273438	0.12573242	0.20974731	0.24264526
7	0.03257375	0.03257375	-0.03479277	-0.01030517	-0.01312154	-0.01878944	0.03257375
55	0.00000000	NUM STRICT 0
5	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000
6	0.00085161	-0.05724423	-0.03806050	-0.02979994	0.02406609	0.06967016
56	0.00000000	INTEN STRICT 0
6	-1000000000.00000000	0.00000000	0.00881792	0.03428658	0.05233012	0.08792933
7	0.01385832	-0.03330873	-0.01322308	-0.06163625	-0.03287714	0.00224210	0.07098237
57	0.00000000	NUM STRICT 1
7	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000	6.00000000
8	-0.16386193	-0.34375567	-0.24806664	-0.08982771	0.04627465	0.15369512	0.21435132	0.15653683
58	0.00000000	INTEN STRICT 1
10	-1000000000.00000000	0.00000000	0.00921339	0.01273186	0.03979771	0.05944100	0.07283217	0.11203147	0.14230829	0.18827946
11	-0.04154889	-0.17893732	-0.12400206	-0.02208851	0.00214980	-0.00058945	0.09567305	0.10348014	0.12498640	0.09082974	0.08551598
59	0.00000000	NUM STRICT 2
8	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000	5.00000000	7.00000000
9	0.06538921	-0.22310129	-0.13132237	0.06836169	0.17171378	0.26105848	0.28212361	0.29823265	0.24734916
60	0.00000000	INTEN STRICT 2
5	-1000000000.00000000	0.00000000	0.00505995	0.12522745	0.21507868
6	-0.00952186	-0.04875298	-0.00529500	0.06879719	0.09662766	0.08480697
62	0.00000000	INTEN C2 STRICT 0
5	-1000000000.00000000	0.01105310	0.03248194	0.04142152	0.05492640
6	0.00178434	0.07328325	0.07001749	0.03689994	-0.02947694	-0.06515554
64	0.00000000	INTEN C2 STRICT 1
6	-1000000000.00000000	0.00000000	0.01172372	0.01950310	0.02471313	0.03204801
7	-0.03731395	-0.02484874	-0.01396302	0.03830398	0.00795212	-0.01708813	-0.04057799
66	0.00000000	INTEN C2 STRICT 2
3	-1000000000.00000000	0.00000000	0.03247361
4	0.00158895	-0.00533230	0.01036988	0.00698865
67	0.00000000	DIFF WITH -2 # PAIRS
9	-1000000000.00000000	-6.00000000	-4.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000
10	0.02606746	0.00250129	0.06294724	0.11867177	0.12846605	0.14459688	0.11371798	0.11621927	0.07593147	0.05121183
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
5	-1000000000.00000000	-5.00000000	-2.00000000	-1.00000000	2.00000000
6	0.07599516	0.00000000	0.03148456	0.12236618	0.13826182	0.12333742
69	0.00000000	DIFF WITH -2 # C2 PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.02235565	0.02235565	0.01795621	0.00000000	0.02235565
70	0.00000000	DIFF WITH -2 # STRONG C2 PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.03222673	0.00000000	0.03056927	0.06540230	0.08298336
71	0.00000000	DIFF WITH -2 # H2O PAIRS
9	-1000000000.00000000	-5.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000
10	0.10145738	0.07021093	0.14373822	0.11737663	0.15759993	0.15450393	0.18770611	0.14274324	0.16909163	0.18349657
72	0.00000000	DIFF WITH -2 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.05603979	0.04907632	0.01021858	0.00708628	0.05603979
73	0.00000000	DIFF WITH -2 INTEN PAIRS
16	-1000000000.00000000	-0.34679675	-0.20123892	-0.07520673	-0.05081163	-0.03545550	-0.01662996	-0.01049629	-0.00556856	-0.00032907	0.00000000	0.00915757	0.01455057	0.04113323	0.08212642	0.12904772
17	0.56311662	0.31638796	0.27835505	0.47199663	0.42790439	0.47199663	0.38922559	0.34360245	0.47199663	0.46929304	0.44765957	0.46815997	0.47595496	0.47455713	0.53728485	0.54869868	0.57879273
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
14	-1000000000.00000000	-0.11562271	-0.07267126	-0.03314238	-0.02252246	-0.01374161	0.00000000	0.00427493	0.01169174	0.01927415	0.03935763	0.05530437	0.08012056	0.12651579
15	0.22020385	0.22020385	0.16113661	0.26240286	0.20395587	0.26240286	0.22370938	0.17426775	0.21879026	0.24963083	0.26240286	0.25267985	0.24214404	0.25669856	0.22020385
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
16	-1000000000.00000000	-0.10189334	-0.06665817	-0.04915481	-0.02857433	-0.02189194	-0.01640632	-0.01185955	-0.00259150	0.00000000	0.00273133	0.01168815	0.01600497	0.02103939	0.02721009	0.03474570
17	0.28243284	0.26862090	0.19485187	0.21173349	0.23211571	0.22551036	0.26385107	0.29145710	0.27652898	0.26281253	0.26001219	0.32813140	0.29300991	0.26261099	0.17132978	0.22633602	0.32813140
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
13	-1000000000.00000000	-0.06734972	-0.02520554	-0.02010196	-0.01071343	-0.00503188	0.00000000	0.00483190	0.01011545	0.01461985	0.02326540	0.02845931	0.03621614
14	0.17083880	0.17083880	0.14782984	0.16491365	0.14378868	0.13272221	0.11564030	0.11857206	0.07105686	0.10427202	0.14015870	0.08911741	0.10921388	0.17083880
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
16	-1000000000.00000000	-0.28951818	-0.08064809	-0.05722506	-0.02751420	-0.01796196	0.00000000	0.00806625	0.01406925	0.02132227	0.04136973	0.05597885	0.07544894	0.10146481	0.13926743	0.19884266
17	0.40945083	0.24182632	0.39993682	0.38469060	0.43450764	0.51471197	0.40529458	0.43475786	0.46243641	0.56638380	0.52912607	0.45270066	0.57194596	0.54068902	0.56845961	0.60590553	0.53073787
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
17	-1000000000.00000000	-0.09363997	-0.06147967	-0.04504628	-0.03409431	-0.01983237	-0.01054095	-0.00634975	-0.00142896	0.00000000	0.00707261	0.01501305	0.01958402	0.03199686	0.04074920	0.05282716	0.07035271
18	0.22224933	0.21104475	0.18551512	0.16726202	0.21287807	0.21818137	0.24400887	0.15905457	0.15305243	0.22353246	0.19655204	0.24400887	0.19849457	0.18771162	0.20818686	0.23126902	0.22391071	0.22967847
79	0.00000000	DIFF WITH -1 # PAIRS
6	-1000000000.00000000	-4.00000000	-3.00000000	-2.00000000	0.00000000	2.00000000
7	0.06996188	0.00000000	0.02709328	0.03644222	0.12109132	0.10668238	0.08464910
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000
6	0.03305069	0.00901045	0.01136549	0.06938438	0.05801889	0.06702934
81	0.00000000	DIFF WITH -1 # C2 PAIRS
2	-1000000000.00000000	-2.00000000
3	0.00852340	0.00000000	0.01632061
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00182837	0.00000000	0.00182837	0.00609442
83	0.00000000	DIFF WITH -1 # H2O PAIRS
5	-1000000000.00000000	-5.00000000	-3.00000000	-1.00000000	2.00000000
6	0.01316402	0.01316402	0.01451862	0.00887730	0.00000000	0.01316402
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	1.00000000
4	0.02181029	0.02181029	0.00000000	0.02181029
85	0.00000000	DIFF WITH -1 INTEN PAIRS
7	-1000000000.00000000	-0.14079891	-0.06265143	-0.02155041	-0.00865976	0.00266230	0.01883342
8	0.07743167	0.01547160	0.02321561	0.09503569	0.10319374	0.12641913	0.07424694	0.08971853
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
8	-1000000000.00000000	-0.13768159	-0.08935570	-0.04190623	-0.01952602	-0.00340533	0.01675372	0.07496275
9	0.15974738	0.00000000	0.20073984	0.24447209	0.29741838	0.30036007	0.32920290	0.33860409	0.35424577
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
10	-1000000000.00000000	-0.03155858	-0.02439005	-0.01854079	-0.00937717	-0.00482980	0.00640777	0.01514770	0.02017766	0.03361393
11	0.03149107	0.00722004	0.02214322	0.03893173	0.03618412	0.05134710	0.04549270	0.04412366	0.04701724	0.04999793	0.05134371
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
5	-1000000000.00000000	-0.04600432	-0.01710885	0.02793440	0.04774409
6	0.02835789	0.02835789	0.05762069	0.02933672	0.00000000	0.02835789
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
6	-1000000000.00000000	-0.05343726	-0.03910078	0.02034539	0.04126951	0.16058303
7	0.01008819	0.00000000	0.01906130	0.08358194	0.07340042	0.05811311	0.03478454
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
2	-1000000000.00000000	-0.00371901
3	0.00502983	0.00000000	0.00683967
91	0.00000000	DIFF WITH +1 # PAIRS
5	-1000000000.00000000	-6.00000000	-4.00000000	-1.00000000	3.00000000
6	0.02470258	0.06655890	0.02201487	-0.10021893	-0.09512679	-0.02856790
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
6	-1000000000.00000000	-5.00000000	-4.00000000	-1.00000000	0.00000000	1.00000000
7	0.03041576	0.05281462	-0.06337966	-0.16326098	-0.07792095	-0.01743666	0.02408173
93	0.00000000	DIFF WITH +1 # C2 PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	-0.01082007	-0.01082007	-0.00482871	0.00000000	-0.01082007
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
4	-1000000000.00000000	-2.00000000	0.00000000	1.00000000
5	-0.01654046	-0.05481731	-0.06107481	-0.05632526	0.00000000
95	0.00000000	DIFF WITH +1 # H2O PAIRS
8	-1000000000.00000000	-5.00000000	-3.00000000	-2.00000000	-1.00000000	1.00000000	2.00000000	3.00000000
9	-0.07956227	0.05392530	-0.17411768	-0.26750970	-0.31747664	-0.32498181	-0.35740274	-0.31212536	-0.24897830
97	0.00000000	DIFF WITH +1 INTEN PAIRS
10	-1000000000.00000000	-0.34485042	-0.21035910	-0.13101587	-0.04185739	-0.00810592	0.00680238	0.01839625	0.07842428	0.12457878
11	0.05688954	0.05688954	0.03303099	-0.02140407	-0.06766612	-0.06191180	-0.04461320	-0.00735320	0.01564041	-0.01415153	0.05688954
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.20683351	-0.12818548	-0.01067759	0.01601274	0.07611620
7	0.15869250	0.15869250	0.05892237	-0.01229791	0.00000000	0.07122028	0.15869250
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
7	-1000000000.00000000	-0.11871962	-0.03424316	-0.02656651	0.00000000	0.01441013	0.01946175
8	-0.03334604	-0.04055601	-0.05131679	-0.04497585	-0.00519887	0.00000000	-0.00890320	-0.02608441
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
8	-1000000000.00000000	-0.03559301	-0.02283407	-0.01395385	-0.00383125	0.00000000	0.00224969	0.02240584
9	-0.03089961	-0.03089961	-0.01680828	-0.01258270	-0.03310722	-0.02080375	-0.01916495	-0.01620468	-0.03089961
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
10	-1000000000.00000000	-0.31209230	-0.09417406	-0.04850288	-0.03446700	-0.00887940	0.01640644	0.03451469	0.04736565	0.06441720
11	0.00636806	0.01842103	-0.00836405	0.01937964	-0.03105261	-0.06770687	-0.10612641	-0.04363548	-0.05070827	-0.02569798	0.00636806
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
9	-1000000000.00000000	-0.10319533	-0.05163378	-0.01429650	-0.01016011	0.00000000	0.00464790	0.01325010	0.01786804
10	-0.02929418	-0.02929418	-0.03379999	-0.06638711	-0.04514947	-0.00872604	-0.00599222	0.00000000	-0.01120441	-0.02929418
103	0.00000000	DIFF WITH +2 # PAIRS
5	-1000000000.00000000	-6.00000000	-1.00000000	1.00000000	2.00000000
6	-0.01748051	-0.01748051	0.00849641	0.00135634	-0.00015899	-0.01748051
104	0.00000000	DIFF WITH +2 # STRONG PAIRS
5	-1000000000.00000000	-5.00000000	-2.00000000	1.00000000	3.00000000
6	-0.02113272	-0.02113272	-0.01974479	0.00790279	-0.00898533	-0.02113272
106	0.00000000	DIFF WITH +2 # STRONG C2 PAIRS
3	-1000000000.00000000	-1.00000000	1.00000000
4	0.00000000	0.00000000	0.00284580	0.00000000
107	0.00000000	DIFF WITH +2 # H2O PAIRS
4	-1000000000.00000000	-2.00000000	0.00000000	1.00000000
5	-0.02391613	-0.02881112	0.00784412	-0.01270034	-0.01736018
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
7	-0.03592558	-0.04312867	0.02275000	0.00461027	0.00901312	0.01045502	-0.02380872
109	0.00000000	DIFF WITH +2 INTEN PAIRS
11	-1000000000.00000000	-0.36096233	-0.22196762	-0.13502452	-0.08424064	-0.05533206	-0.01025053	0.00520893	0.00999908	0.02280344	0.03223628
12	0.03055300	-0.26179673	-0.23274511	-0.12270629	-0.10612447	-0.04476230	-0.02207421	-0.00231232	0.00311685	-0.05744303	-0.06110390	0.03055300
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.21808924	-0.03618599	0.02061401	0.06014557
6	-0.04024109	-0.04024109	-0.01554396	-0.01692234	0.00778128	-0.04024109
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
5	-1000000000.00000000	-0.05566751	-0.01441608	-0.00027360	0.00030350
6	-0.00364328	-0.04648460	-0.00699604	0.02397258	0.03293503	0.04268219
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
7	-1000000000.00000000	-0.04724937	-0.00832968	0.00000000	0.00269563	0.01788023	0.03516690
8	-0.02433329	-0.03104100	-0.02224518	-0.02798415	-0.04708505	-0.07512554	-0.06082979	0.00376589
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
9	-1000000000.00000000	-0.15753900	-0.07965457	-0.04007512	-0.00404578	0.01773258	0.02674699	0.10002831	0.13780677
10	-0.08277921	-0.08277921	-0.04223631	-0.03429611	0.01794729	-0.00227335	-0.03710424	0.08250839	0.04810374	0.04000143
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
7	-1000000000.00000000	-0.05154491	-0.02449661	-0.01440747	-0.00623247	0.01725663	0.02269633
8	0.03032599	0.03032599	0.01532091	-0.01834233	-0.04909822	-0.00372727	0.02446314	0.03032599
115	0.00000000	DIFF +1/-1 # PAIRS
4	-1000000000.00000000	-6.00000000	-4.00000000	0.00000000
5	0.03706970	0.00983442	0.00000000	0.06606870	0.09767567
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
4	-1000000000.00000000	-4.00000000	-3.00000000	2.00000000
5	0.06627049	0.00000000	0.06552039	0.11907302	0.13161654
117	0.00000000	DIFF +1/-1 # C2 PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	0.00807292	0.00000000	0.00143632	0.02237134	0.01607184
118	0.00000000	DIFF +1/-1 # STRONG C2 PAIRS
3	-1000000000.00000000	-2.00000000	0.00000000
4	0.00000000	0.00000000	0.00696577	0.00000000
119	0.00000000	DIFF +1/-1 # H2O PAIRS
8	-1000000000.00000000	-5.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000
9	0.07632215	-0.00216950	0.10928071	0.13940271	0.16295895	0.15809505	0.19915448	0.26788401	0.23551444
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.01925049	0.00505770	-0.00415707	0.04199144	0.02812553
121	0.00000000	DIFF +1/-1 INTEN PAIRS
11	-1000000000.00000000	-0.15474626	-0.09952866	-0.06621425	-0.03112368	-0.01321700	-0.00176623	0.00000000	0.01108471	0.04069790	0.21861462
12	0.08003557	0.07815986	0.11128602	0.14193305	0.15064022	0.14590303	0.13821751	-0.00197042	0.06770178	0.08443900	0.08863013	0.08003557
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
8	-1000000000.00000000	-0.24130759	-0.06355681	-0.02897869	-0.00986158	0.00000000	0.05764888	0.08668069
9	0.03716049	0.03716049	0.09369136	0.10047099	0.07341534	0.03130187	0.07659078	0.05376828	0.03716049
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
9	-1000000000.00000000	-0.10959716	-0.03069011	-0.01786340	-0.00861762	0.00215447	0.01589646	0.05853172	0.07919861
10	0.00000000	0.00000000	0.01007297	0.02952143	0.03412990	0.04498686	0.02981353	0.01605199	0.00689892	0.00000000
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
7	-1000000000.00000000	-0.07138137	-0.03341053	-0.01192077	-0.00071400	0.00455623	0.02320755
8	0.02735140	0.02735140	0.00000000	0.00283763	0.01738740	0.02501595	0.01550093	0.02735140
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
6	-1000000000.00000000	-0.33682659	-0.15366995	0.00000000	0.02851078	0.11189182
7	0.09584865	0.00726692	0.00000000	0.01216614	0.08774705	0.10074786	0.09584865
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
8	-1000000000.00000000	-0.02110772	-0.01150199	0.00000000	0.00228156	0.01097222	0.01504611	0.07044004
9	0.01813277	-0.00839824	0.01830331	0.03932188	0.05622855	0.08404105	0.07501991	0.06959995	0.06748258
0
127
108
0	0.00000000	OFFSET FROM MEASURED M/Z
15	-1000000000.00000000	-1.66204834	-1.46203613	-1.36199951	-1.11199951	-1.01202393	-0.61199951	-0.56201172	-0.46203613	-0.36199951	-0.01202393	0.08795166	0.18798828	0.28796387	0.43798828
16	-0.22755443	-0.26607645	-0.22302947	-0.22648078	-0.24713776	-0.15631367	-0.10795880	-0.03133050	0.05809720	0.14006684	0.15265208	0.06182799	0.00367293	-0.12627353	-0.16003190	-0.19571394
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
4	-1000000000.00000000	-1.66204834	-1.36199951	-0.21203613
5	-0.01253079	-0.01253079	0.02571447	0.00182840	-0.01253079
2	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=4
3	-1000000000.00000000	-1.06201172	-0.31201172
4	-0.00900219	-0.00900219	0.01278627	-0.00900219
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
7	-1000000000.00000000	-1.51202393	-0.86199951	-0.51202393	-0.16204834	-0.06201172	0.13800049
8	-0.06143342	-0.11448842	0.07779632	0.03216652	0.05812375	0.12439149	0.20920441	0.00000000
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
11	-1000000000.00000000	-1.71203613	-1.51202393	-1.36199951	-1.06201172	-0.91204834	-0.21203613	-0.11199951	0.08795166	0.18798828	0.33795166
12	0.02620230	0.02620230	0.06576907	0.35489219	0.29178746	0.38642546	0.43239957	0.36795711	0.16685292	0.15463550	0.07150293	0.02620230
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
7	-1000000000.00000000	-1.66204834	-1.06201172	-0.81201172	-0.56201172	-0.51202393	-0.31201172
8	0.87012810	-0.09342937	0.87012810	0.89079659	0.87153549	0.89351258	0.94429637	0.87012810
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
7	-1000000000.00000000	-1.66204834	-1.26202393	-1.01202393	-0.81201172	-0.26202393	-0.11199951
8	-0.04288636	-0.04288636	-0.00699784	0.00101563	0.00466298	-0.02858537	-0.05696276	-0.04288636
8	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS >4
3	-1000000000.00000000	-0.36199951	0.13800049
4	0.00000000	0.00000000	0.00426177	0.00000000
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
13	-1000000000.00000000	-1.66204834	-1.51202393	-1.36199951	-1.11199951	-1.01202393	-0.81201172	-0.66204834	-0.46203613	-0.26202393	-0.01202393	0.08795166	0.18798828
14	-0.18093546	-0.18093546	-0.17375747	0.05846874	0.03113017	0.05456418	0.05846874	0.03451656	0.05174622	0.05846874	0.05129075	-0.01445534	-0.09169614	-0.18093546
10	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS >=3
3	-1000000000.00000000	-0.36199951	0.38800049
4	-0.03939474	-0.03939474	0.00000000	-0.03939474
12	0.00000000	# STRONG PAIRS
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	0.01800368	0.01800368	0.13858862	-0.17207401	0.01800368
15	0.00000000	# H2O PAIRS
6	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
7	-0.04168968	-0.12485981	-0.10881154	-0.01839626	0.06976321	0.15749479	0.20496587
16	0.00000000	# C2 H2O PAIRS
3	-1000000000.00000000	1.00000000	2.00000000
4	0.00346052	0.00346052	-0.00454484	0.00346052
17	0.00000000	INTEN PAIRS
7	-1000000000.00000000	0.00549425	0.01935931	0.02303559	0.02738390	0.09867774	0.13732442
8	-0.00811381	-0.00811381	0.03809461	0.01883735	0.00709081	-0.03280379	-0.02663873	-0.00811381
18	0.00000000	INTEN STRONG PAIRS
7	-1000000000.00000000	0.00000000	0.02025391	0.02515505	0.04498012	0.05509151	0.09037665
8	0.01580326	0.01580326	0.03323952	-0.01167494	-0.03523367	-0.02707914	-0.01191396	0.01580326
19	0.00000000	INTEN C2 PAIRS
8	-1000000000.00000000	0.00861347	0.01097916	0.01833925	0.02836550	0.04291905	0.05848894	0.08802786
9	0.00170407	0.00170407	-0.01003960	-0.00860173	-0.02940309	-0.00175792	-0.04215994	-0.01693682	0.00170407
20	0.00000000	INTEN STRONG C2 PAIRS
6	-1000000000.00000000	0.00000000	0.01758814	0.02233649	0.03300710	0.05049055
7	0.00209626	0.00209626	-0.02363066	0.02155669	0.02457847	-0.01425667	0.00209626
21	0.00000000	INTEN H2O PAIRS
9	-1000000000.00000000	0.00000000	0.00530475	0.00791082	0.02013197	0.02401692	0.04602073	0.06420033	0.09444574
10	0.02670281	-0.04386811	-0.04033557	-0.03215323	-0.01737034	0.01460133	0.02630666	0.02775109	0.04881678	0.08104690
22	0.00000000	INTEN C2 H2O PAIRS
7	-1000000000.00000000	0.00000000	0.00465308	0.01707830	0.02298605	0.03486519	0.04645289
8	-0.00830893	-0.00830893	-0.00402031	0.00290308	0.00149117	0.00744414	-0.00235596	-0.00830893
23	0.00000000	AVG OFFSET TOP (STRONG 2)
6	-1000000000.00000000	0.12371826	0.17678833	0.21920776	0.26983643	0.28373718
7	-0.00042360	0.05912079	0.06722703	0.07169958	0.00539973	-0.00810624	-0.01257879
24	0.00000000	AVG OFFSET TOP (STRONG 3)
4	-1000000000.00000000	0.08937582	0.13098145	0.22801717
5	-0.01927110	-0.01115306	0.00000000	-0.01770957	-0.01927110
25	0.00000000	AVG OFFSET TOP (STRONG 4)
5	-1000000000.00000000	0.07209778	0.17837524	0.20307159	0.21444702
6	0.01982877	0.07763725	0.08178337	0.02520068	0.00874066	0.00000000
26	0.00000000	AVG OFFSET TOP (STRONG 5)
9	-1000000000.00000000	0.05797730	0.08983155	0.10119629	0.11155395	0.17516479	0.18433838	0.19492188	0.20799561
10	0.00000000	0.00000000	0.06015164	0.06696369	0.07290121	0.09471644	0.08948169	0.06034619	0.03100310	0.00000000
27	0.00000000	AVG OFFSET TOP (STRONG 6)
3	-1000000000.00000000	0.07359823	0.19308472
4	0.00000000	0.00000000	0.01672024	0.00000000
28	0.00000000	AVG OFFSET TOP C2 (STRONG 2)
3	-1000000000.00000000	0.16470337	0.24630737
4	0.01043244	0.01043244	0.00000000	0.01043244
33	0.00000000	MEAN OFFSET PAIRS
5	-1000000000.00000000	0.20361328	0.22667439	0.24668376	0.38287354
6	0.05270709	0.05270709	0.00921051	-0.01720143	-0.02669792	0.05270709
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
6	-1000000000.00000000	0.01995341	0.02581109	0.03204600	0.19143677	0.20307414
7	0.10512311	0.10512311	0.08750230	0.00078877	-0.00325043	0.00222035	0.00078877
35	0.00000000	MEAN OFFSET STRONG PAIRS
5	-1000000000.00000000	0.09419759	0.19112141	0.25465903	0.39454141
6	0.00680238	0.00680238	0.00078026	-0.00243125	-0.01829341	0.00393903
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
6	-1000000000.00000000	0.01737976	0.02938029	0.04720052	0.16741943	0.19727071
7	0.03119667	0.03418642	0.00756680	-0.04586568	-0.02482430	-0.03578704	0.02660034
37	0.00000000	MEAN OFFSET C2 PAIRS
7	-1000000000.00000000	0.21376546	0.25399780	0.29597983	0.34549966	0.36585489	0.40552774
8	-0.00323172	-0.00323172	0.00418528	0.00867779	0.00136905	-0.00016389	-0.00758941	-0.00323172
38	0.00000000	WEIGHTED MEAN OFFSET C2 PAIRS
6	-1000000000.00000000	0.07855903	0.09865994	0.17274983	0.18292744	0.20276387
7	-0.01257880	-0.01257880	0.01698050	0.00743147	-0.00389241	-0.02053960	-0.01257880
45	0.00000000	PAIR OFFSET (STRONG 1)
10	-1000000000.00000000	0.05352783	0.07534790	0.10742188	0.12945557	0.15142822	0.18353271	0.19360352	0.20446777	0.23545837
11	0.11262839	0.11262839	0.10294804	0.11266469	0.11705137	0.08061697	0.08518002	0.08062499	0.01424339	0.06843539	0.09990721
46	0.00000000	PAIR OFFSET (STRONG 2)
8	-1000000000.00000000	0.08239746	0.09249878	0.11349487	0.14544678	0.17749023	0.21044922	0.24346924
9	0.03900166	0.06883501	0.04977197	0.04536296	0.02983335	0.04077018	0.01093683	0.03073742	0.03900166
47	0.00000000	PAIR OFFSET (STRONG 3)
6	-1000000000.00000000	0.01858521	0.05743408	0.06738281	0.17248535	0.21658325
7	-0.01900547	-0.01900547	0.02330578	0.02189017	-0.00842664	-0.01197154	-0.01900547
48	0.00000000	PAIR OFFSET (STRONG 4)
6	-1000000000.00000000	0.00939941	0.02655029	0.05450439	0.11267090	0.18835449
7	-0.04757900	-0.04465252	-0.02866005	-0.02521089	0.00140359	-0.01526031	-0.04927152
49	0.00000000	PAIR OFFSET (STRONG 5)
6	-1000000000.00000000	0.01654053	0.07852173	0.11749268	0.17138672	0.18350220
7	0.00148863	0.00148863	0.05194265	0.03318347	0.03467210	0.00819914	0.00148863
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
7	-1000000000.00000000	0.01062012	0.08636475	0.11749268	0.12832642	0.19158936	0.21252441
8	0.02973472	0.02973472	-0.03601108	-0.01367218	-0.00335851	0.00309764	0.02348955	0.02973472
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
8	-1000000000.00000000	0.05346680	0.06353760	0.08453369	0.13745117	0.14761353	0.20062256	0.21148682
9	-0.02188910	-0.02188910	-0.01597174	-0.03287270	-0.01690096	-0.02888165	-0.03823942	-0.03675883	-0.02188910
52	0.00000000	C2 PAIR OFFSET (STRONG 3)
5	-1000000000.00000000	0.09454346	0.15649414	0.16662598	0.24249268
6	-0.00609023	-0.00609023	0.09041134	0.07955360	0.07353642	-0.00609023
55	0.00000000	NUM STRICT 0
5	-1000000000.00000000	1.00000000	2.00000000	3.00000000	4.00000000
6	-0.04480958	-0.09324156	-0.05482020	-0.05031838	0.03714807	0.04195247
56	0.00000000	INTEN STRICT 0
6	-1000000000.00000000	0.00099446	0.02044071	0.03491595	0.06276677	0.08086107
7	0.01827393	-0.05597913	-0.08215102	-0.03302314	0.02929657	0.05711730	0.09073603
57	0.00000000	NUM STRICT 1
8	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000	5.00000000	6.00000000
9	-0.03850777	-0.29016917	-0.22929696	-0.09260833	0.03214730	0.14752507	0.23385089	0.28067758	0.30243448
58	0.00000000	INTEN STRICT 1
8	-1000000000.00000000	0.00000000	0.00187064	0.01687540	0.03819427	0.05509153	0.09698753	0.19466493
9	-0.06594578	-0.13028430	-0.03289040	0.01524001	0.07683496	0.05916691	0.09266293	0.11354286	0.01786569
59	0.00000000	NUM STRICT 2
8	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000	5.00000000	8.00000000
9	-0.26403168	-0.35900259	-0.23673674	-0.11618707	0.02721743	0.11719814	0.14227297	0.14621947	0.11736302
60	0.00000000	INTEN STRICT 2
9	-1000000000.00000000	0.00000000	0.03200695	0.03889526	0.05717163	0.06932024	0.10304900	0.12742825	0.21211132
10	0.00016363	-0.06035366	0.03309626	0.03450866	0.00323490	0.03746600	0.07037937	0.07378716	0.10851095	0.11599268
62	0.00000000	INTEN C2 STRICT 0
4	-1000000000.00000000	0.00994357	0.02659598	0.04007116
5	0.00756718	0.04218158	0.03630846	-0.00510337	-0.03307533
64	0.00000000	INTEN C2 STRICT 1
3	-1000000000.00000000	0.01789827	0.04677965
4	-0.00166551	-0.00623594	0.00147964	-0.00166551
65	0.00000000	NUM C2 STRICT 2
2	-1000000000.00000000	1.00000000
3	-0.00150298	0.00143856	-0.00150298
66	0.00000000	INTEN C2 STRICT 2
5	-1000000000.00000000	0.00544909	0.00857723	0.01798369	0.02222178
6	-0.02454692	-0.00755164	-0.00374325	0.03642689	0.00152667	-0.02895656
67	0.00000000	DIFF WITH -2 # PAIRS
5	-1000000000.00000000	-4.00000000	-3.00000000	2.00000000	3.00000000
6	0.06294285	0.01046145	0.10351751	0.17716257	0.12695350	0.07255090
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
9	-1000000000.00000000	-5.00000000	-4.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000
10	0.25596075	0.19805373	0.43129876	0.38925758	0.43622958	0.42663739	0.38421856	0.39398877	0.33222805	0.34009873
69	0.00000000	DIFF WITH -2 # C2 PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000	2.00000000
6	0.05655400	0.03797570	0.03377156	0.05655400	0.02278244	0.05655400
70	0.00000000	DIFF WITH -2 # STRONG C2 PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.01695367	0.01695367	0.02119801	0.00424434	0.01812115	0.02119801
71	0.00000000	DIFF WITH -2 # H2O PAIRS
5	-1000000000.00000000	-5.00000000	-2.00000000	-1.00000000	1.00000000
6	0.08156182	0.04246628	0.02332926	0.11223262	0.08890336	0.11223262
72	0.00000000	DIFF WITH -2 # C2 H2O PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.04198843	0.01575692	0.00000000	0.02573247	0.06113072
73	0.00000000	DIFF WITH -2 INTEN PAIRS
17	-1000000000.00000000	-0.17032285	-0.10128973	-0.06590638	-0.03288634	-0.02369868	-0.01662055	-0.01103140	-0.00226070	0.00155447	0.00557527	0.02075029	0.02838890	0.03836200	0.05209031	0.07397348	0.11362593
18	0.68281315	0.39408198	0.62116525	0.65011374	0.72048149	0.65103713	0.67801128	0.71531932	0.65649233	0.71756770	0.67798063	0.64673250	0.69244683	0.72048149	0.65873260	0.74181232	0.72530642	0.68281315
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
12	-1000000000.00000000	-0.16634688	-0.06326301	-0.04355052	-0.01377040	-0.00743162	0.00658108	0.02649060	0.03620570	0.04982207	0.07137990	0.11125096
13	0.16399411	0.12226162	0.22208183	0.16391154	0.17475424	0.19899082	0.22208183	0.17063512	0.18638127	0.21400180	0.22208183	0.20943720	0.22208183
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
19	-1000000000.00000000	-0.08933240	-0.04399909	-0.03371244	-0.02625582	-0.02024462	-0.01546058	-0.01129553	-0.00744183	-0.00319450	0.00365278	0.00767123	0.01130957	0.01514264	0.01967661	0.02501632	0.03153401	0.03972642	0.05106864
20	0.32725735	0.27937514	0.28925783	0.34353874	0.34208055	0.32057125	0.29653134	0.36512733	0.35806494	0.32208248	0.36512733	0.32236683	0.27445415	0.36159645	0.29750969	0.28520760	0.34401881	0.32175797	0.34825785	0.36512733
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
14	-1000000000.00000000	-0.05724366	-0.03664932	-0.02755317	-0.02191843	-0.01365036	-0.00990568	-0.00073387	0.00000000	0.00483610	0.01269361	0.01623619	0.03070286	0.04070674
15	0.24310731	0.24310731	0.18616868	0.23035544	0.11561426	0.16069355	0.19242114	0.16761250	0.15527017	0.17008784	0.24310731	0.21379196	0.20883078	0.22285465	0.24310731
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
19	-1000000000.00000000	-0.13207194	-0.08620299	-0.06012687	-0.03106311	-0.02204539	-0.01499033	-0.00924452	0.00149206	0.00592964	0.01045896	0.01567979	0.02191337	0.02952198	0.03913538	0.05165137	0.06887008	0.09465105	0.13825150
20	0.35483856	0.19188862	0.23836963	0.35658978	0.36004662	0.36789595	0.34958371	0.36789595	0.33748489	0.39547832	0.38074984	0.41242932	0.37268133	0.45216651	0.38181998	0.41110712	0.42056223	0.43131361	0.50738672	0.48766469
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
15	-1000000000.00000000	-0.05627394	-0.04158156	-0.02492270	-0.01928839	-0.00706265	-0.00290023	0.00000000	0.00296694	0.00693960	0.01048715	0.01416598	0.01828269	0.03694583	0.04722346
16	0.25221668	0.24382778	0.16416801	0.17202961	0.14100274	0.22806054	0.24509533	0.20824200	0.17076963	0.22602373	0.24825041	0.24222028	0.22865809	0.18943498	0.22233149	0.26092295
79	0.00000000	DIFF WITH -1 # PAIRS
4	-1000000000.00000000	-3.00000000	-1.00000000	3.00000000
5	0.00000000	0.00000000	0.06059444	0.03641065	0.00000000
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
4	-1000000000.00000000	-6.00000000	-3.00000000	1.00000000
5	0.10202927	0.04727397	0.00000000	0.19606587	0.20757009
81	0.00000000	DIFF WITH -1 # C2 PAIRS
3	-1000000000.00000000	-1.00000000	1.00000000
4	0.00000000	0.00000000	0.00481456	0.00307392
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00000000	0.00000000	0.01483737	0.00000000
83	0.00000000	DIFF WITH -1 # H2O PAIRS
5	-1000000000.00000000	-3.00000000	-1.00000000	1.00000000	2.00000000
6	0.02031940	0.02031940	0.03086548	0.01714872	0.00000000	0.02031940
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	0.01172805	0.00651752	0.02974003	0.02322251	0.02974003
85	0.00000000	DIFF WITH -1 INTEN PAIRS
10	-1000000000.00000000	-0.19053353	-0.11853113	-0.02901126	-0.00486934	-0.00032023	0.00000000	0.00798422	0.01277390	0.03537838
11	0.12054850	0.09320744	0.09481700	0.10199290	0.09261604	0.11165079	0.14976525	0.16903791	0.06686440	0.15069499	0.14627020
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.31838098	-0.18658888	-0.11537883	-0.07587048	0.00991717
7	0.07131443	0.00880106	0.00000000	0.01026420	0.11727125	0.21406701	0.21260387
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
10	-1000000000.00000000	-0.09641643	-0.04785973	-0.03693776	-0.02876767	-0.00903453	0.00000000	0.01061429	0.02416512	0.03874810
11	0.01872810	0.01635412	0.00000000	0.01793452	0.02371112	0.02623875	0.03361339	0.03512901	0.07280222	0.07425368	0.02300730
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
9	-1000000000.00000000	-0.06039269	-0.02905189	-0.01482426	-0.00715717	0.00419873	0.01228165	0.01573996	0.02994704
10	0.04170217	0.04170217	0.04015924	0.05517163	0.05957868	0.01619369	0.05635292	0.05197736	0.05052923	0.04170217
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
10	-1000000000.00000000	-0.09808159	-0.03960970	-0.02149265	-0.00006314	0.00000000	0.00985208	0.02938599	0.05415753	0.07533086
11	0.20787182	0.06551284	0.11677613	0.11235283	0.10582949	0.04057826	0.04342828	0.08351375	0.18960024	0.21217758	0.20787182
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.05931317	-0.03419849	0.00186774
5	0.02674911	0.02674911	0.00000000	0.01732794	0.02674911
91	0.00000000	DIFF WITH +1 # PAIRS
5	-1000000000.00000000	-6.00000000	-4.00000000	1.00000000	2.00000000
6	-0.04000794	0.02140266	0.00276731	-0.16898500	-0.15944391	-0.11357981
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
5	-1000000000.00000000	-5.00000000	-4.00000000	-1.00000000	0.00000000
6	0.00000000	0.00000000	-0.01451036	-0.07039365	-0.00224652	0.00000000
93	0.00000000	DIFF WITH +1 # C2 PAIRS
3	-1000000000.00000000	-3.00000000	1.00000000
4	0.00000000	0.00000000	-0.00309790	0.00000000
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	0.00000000	0.00000000	-0.01739031	-0.01226294	0.00000000
95	0.00000000	DIFF WITH +1 # H2O PAIRS
8	-1000000000.00000000	-5.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000
9	-0.10222278	0.02958927	-0.06999068	-0.20207262	-0.21616775	-0.26485720	-0.24796051	-0.25457411	-0.22955026
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	0.00000000	2.00000000
5	0.00000000	0.00000000	-0.03794162	-0.02382674	0.00000000
97	0.00000000	DIFF WITH +1 INTEN PAIRS
6	-1000000000.00000000	-0.16896841	-0.10551742	-0.00431715	0.01835608	0.06859846
7	0.07398869	0.07398869	0.01823973	-0.03016325	0.00000000	0.02558571	0.07398869
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
10	-1000000000.00000000	-0.16549368	-0.06912484	-0.03512821	-0.01720398	-0.00470730	0.00000000	0.00952353	0.03298593	0.10444575
11	-0.01535633	-0.04091319	-0.09814561	-0.10699134	-0.10417750	-0.12213212	-0.03643733	0.00579107	0.01355365	0.00651240	0.00482182
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
7	-1000000000.00000000	-0.09950159	-0.04969191	-0.01869550	-0.01418123	-0.01034710	0.00101717
8	-0.01267348	-0.01267348	-0.01578513	-0.02687927	-0.03118852	-0.00781222	0.00000000	-0.01267348
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
7	-1000000000.00000000	-0.06178141	-0.02969920	-0.01557601	-0.00394393	0.01179099	0.02381022
8	-0.04476313	-0.04476313	-0.05111687	-0.05621914	-0.05009674	-0.04612762	0.00000000	-0.03688752
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
10	-1000000000.00000000	-0.09362743	-0.06588934	-0.04804797	-0.01832694	0.01235466	0.02509712	0.06070348	0.08310319	0.12012727
11	0.07734140	0.08125045	0.06957058	0.04983890	-0.02133032	-0.07697997	-0.05439285	0.04098410	0.08114706	0.07303476	0.07149661
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
8	-1000000000.00000000	-0.06114994	-0.04593265	-0.02847148	-0.00956816	0.00000000	0.01265706	0.03546473
9	-0.05422980	-0.05422980	-0.04499780	-0.03749450	-0.02271219	-0.03218035	-0.00946817	-0.03655823	-0.05276978
103	0.00000000	DIFF WITH +2 # PAIRS
5	-1000000000.00000000	-4.00000000	-1.00000000	0.00000000	2.00000000
6	-0.01230569	-0.01230569	0.01490049	0.00734307	0.01999309	-0.01230569
104	0.00000000	DIFF WITH +2 # STRONG PAIRS
8	-1000000000.00000000	-4.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000
9	-0.07284473	-0.07284473	-0.06708667	0.00428395	-0.00164570	-0.02440070	-0.05545699	-0.06999652	-0.07284473
105	0.00000000	DIFF WITH +2 # C2 PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	0.00416369	-0.02064008	-0.01108633	0.03053233	0.02049048
106	0.00000000	DIFF WITH +2 # STRONG C2 PAIRS
4	-1000000000.00000000	-2.00000000	0.00000000	1.00000000
5	0.00000000	0.00000000	0.00692755	0.00545010	0.00000000
107	0.00000000	DIFF WITH +2 # H2O PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	3.00000000
6	0.01751910	0.01751910	-0.00186483	0.01500429	0.02053157	0.01751910
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
7	0.00478300	0.00478300	0.00335622	0.00989861	0.01290375	-0.00346867	0.00478300
109	0.00000000	DIFF WITH +2 INTEN PAIRS
7	-1000000000.00000000	-0.06715187	-0.02320882	-0.01042465	0.00599832	0.02174977	0.04015103
8	-0.05298130	-0.05577982	-0.03409619	-0.01878678	0.01074969	0.02525906	-0.02981883	-0.05000698
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
9	-1000000000.00000000	-0.17014790	-0.06494761	-0.04413212	-0.01339133	0.00688797	0.01257883	0.07527748	0.11938870
10	-0.09572420	-0.10309736	-0.00952901	0.00482824	0.01172404	0.06232408	0.01930077	0.12680170	0.15024011	0.07603812
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
5	-1000000000.00000000	-0.03740745	-0.01777893	0.00601794	0.03838142
6	-0.01938237	-0.01938237	-0.00794740	0.02610409	-0.00511911	-0.01938237
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
7	-1000000000.00000000	-0.01905982	-0.01153185	0.00000000	0.00338161	0.01540380	0.02368364
8	0.00806522	0.00806522	0.02379378	-0.00757143	-0.02007646	-0.03457206	-0.01279875	0.00806522
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
9	-1000000000.00000000	-0.16331552	-0.07608222	-0.03994210	-0.00842541	0.00777277	0.02685101	0.03647778	0.13486356
10	-0.05554071	-0.11045279	-0.01373394	0.05871865	-0.02562976	-0.03958640	0.01532567	0.01048326	0.00250522	-0.05554071
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
7	-1000000000.00000000	-0.02218037	-0.00945465	-0.00575256	-0.00130385	0.01659551	0.04539016
8	-0.04419643	-0.04419643	0.02097858	0.01139013	-0.00061545	-0.00623131	0.01043464	-0.04419643
115	0.00000000	DIFF +1/-1 # PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000	2.00000000
6	0.01395548	0.00848338	0.03641049	0.02179541	0.00622961	0.01628496
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
7	-1000000000.00000000	-6.00000000	-4.00000000	-3.00000000	0.00000000	3.00000000	4.00000000
8	0.08247833	0.02349710	-0.00148886	0.14080900	0.17755994	0.14826637	0.14687184	0.12486698
117	0.00000000	DIFF +1/-1 # C2 PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	0.00860928	0.00860928	0.01868762	0.00000000	0.00860928
119	0.00000000	DIFF +1/-1 # H2O PAIRS
7	-1000000000.00000000	-5.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000	4.00000000
8	0.02649748	-0.00154642	0.03784731	0.04532535	0.06346884	0.04982505	0.08848902	0.06057068
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.03189843	0.02922976	0.02327127	0.00000000	0.03189843
121	0.00000000	DIFF +1/-1 INTEN PAIRS
8	-1000000000.00000000	-0.20506480	-0.12788749	-0.00793402	-0.00334236	0.01139244	0.03593239	0.17767227
9	0.04002934	0.00289916	0.03731432	0.07073748	0.06285208	0.05933308	0.05792894	0.06237008	0.04002934
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
9	-1000000000.00000000	-0.20022811	-0.12472612	-0.03775894	-0.01742223	-0.00372911	0.00143938	0.01502835	0.17410959
10	0.10533435	0.10336725	0.11412657	0.17684733	0.15795015	0.13357217	0.04759286	0.17521854	0.18456039	0.11504415
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
6	-1000000000.00000000	-0.04681720	0.00000000	0.00696144	0.01911960	0.03098805
7	0.00663239	-0.00165831	0.02631537	0.05160580	0.06585618	0.03554438	0.00663239
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
6	-1000000000.00000000	-0.03812706	-0.00206286	0.01979245	0.03031437	0.04023029
7	0.04694526	0.04694526	0.01851167	0.00427472	0.04694526	0.04267054	0.04694526
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
11	-1000000000.00000000	-0.16508803	-0.05791627	-0.02228341	-0.01508210	-0.00910922	-0.00395724	0.00000000	0.02033958	0.07474615	0.16075473
12	0.13588232	0.00796505	0.03092914	0.07460548	0.08884658	0.11933150	0.14967025	0.09187015	0.17006364	0.19094628	0.20193899	0.15676496
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
8	-1000000000.00000000	-0.04334210	-0.02608804	-0.01560312	-0.00800813	0.00000000	0.00645187	0.01781879
9	0.04066805	0.04066805	0.05846554	0.02275733	0.02717559	0.03913734	0.05431268	0.01341205	0.04066805
0
127
102
0	0.00000000	OFFSET FROM MEASURED M/Z
12	-1000000000.00000000	-1.51855469	-1.06854248	-0.96850586	-0.66857910	-0.56860352	-0.46856689	-0.36853027	-0.06860352	0.03149414	0.13146973	0.28143311
13	-0.33062810	-0.38955698	-0.08212611	0.00082881	0.04096444	0.05175614	0.06919081	0.15206511	0.17097016	0.06706816	-0.14777118	-0.19903225	-0.26788996
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
4	-1000000000.00000000	-0.96856689	-0.36853027	-0.11853027
5	-0.03077563	-0.03892922	-0.02112116	0.00000000	-0.01780806
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
6	-1000000000.00000000	-0.91857910	-0.51855469	-0.41857910	-0.11853027	0.08142090
7	-0.01587479	-0.02890813	-0.03663488	-0.01328271	0.00497640	0.02017981	-0.00872832
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
8	-1000000000.00000000	-1.56854248	-1.06860352	-0.96856689	-0.11853027	-0.01855469	0.08142090	0.33142090
9	-0.04627657	-0.04627657	0.45000337	0.47126205	0.52921446	0.49275886	0.37337005	0.25088153	-0.04627657
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
6	-1000000000.00000000	-1.66857910	-0.51855469	-0.41857910	0.08142090	0.38146973
7	-0.01752370	-0.11698503	0.75550701	0.76192144	0.79964266	0.77226632	0.09932411
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
7	-1000000000.00000000	-1.66857910	-1.51855469	-0.46856689	-0.26855469	-0.16857910	0.03149414
8	-0.05097616	-0.05097616	-0.03688934	-0.03863216	-0.00174282	-0.04456416	-0.08145350	-0.05097616
7	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=4
4	-1000000000.00000000	-1.01855469	-0.56854248	0.58142090
5	-0.02341336	-0.02341336	-0.01446221	0.00000000	-0.02341336
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
5	-1000000000.00000000	-1.66857910	-0.16857910	-0.06860352	0.28149414
6	0.00176633	0.00176633	0.01527749	0.01351116	0.01527749	0.00176633
12	0.00000000	# STRONG PAIRS
5	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000
6	0.07523100	0.07523100	0.04135426	0.05384743	-0.02256312	0.08531813
15	0.00000000	# H2O PAIRS
5	-1000000000.00000000	1.00000000	2.00000000	3.00000000	4.00000000
6	-0.03379808	-0.15705579	-0.13998926	-0.07963243	0.02520357	0.08312643
17	0.00000000	INTEN PAIRS
9	-1000000000.00000000	0.00000000	0.01427027	0.01711767	0.02738464	0.04185367	0.08023139	0.10051540	0.13680658
10	-0.00163347	-0.00163347	0.08112116	0.00821971	-0.01444290	-0.05228978	-0.06901316	-0.09052548	-0.08874913	-0.00163347
18	0.00000000	INTEN STRONG PAIRS
5	-1000000000.00000000	0.00892565	0.01932073	0.02343920	0.12687591
6	-0.00887543	-0.00887543	0.02325078	0.01228937	-0.02051113	-0.00887543
19	0.00000000	INTEN C2 PAIRS
5	-1000000000.00000000	0.01241169	0.03710493	0.04223387	0.04833641
6	-0.00621951	-0.00621951	0.01148039	0.00265639	-0.00444858	-0.00621951
20	0.00000000	INTEN STRONG C2 PAIRS
3	-1000000000.00000000	0.01608896	0.04449609
4	-0.00187682	-0.00187682	0.00000000	-0.00187682
21	0.00000000	INTEN H2O PAIRS
9	-1000000000.00000000	0.00773442	0.01279164	0.01861346	0.02542634	0.02946459	0.03394171	0.07072029	0.08492146
10	-0.00159099	-0.09191072	-0.08196453	-0.07708525	-0.03725595	-0.02187098	-0.00950640	0.00093317	0.01731034	0.07469080
22	0.00000000	INTEN C2 H2O PAIRS
6	-1000000000.00000000	0.00818350	0.01200584	0.01640315	0.02172098	0.02802753
7	-0.03160927	-0.03160927	-0.02775103	0.00359498	0.02352183	0.00766643	-0.03160927
23	0.00000000	AVG OFFSET TOP (STRONG 2)
5	-1000000000.00000000	0.14123535	0.16717529	0.23129272	0.28417969
6	0.00437926	0.00437926	0.00053901	-0.00175081	0.00613008	0.00437926
24	0.00000000	AVG OFFSET TOP (STRONG 3)
4	-1000000000.00000000	0.12634277	0.18504842	0.19868977
5	0.01866109	0.04115688	0.03647144	0.00885569	-0.00468544
25	0.00000000	AVG OFFSET TOP (STRONG 4)
5	-1000000000.00000000	0.17263794	0.18508148	0.19239807	0.21829224
6	0.13075754	0.13075754	0.12286562	0.10058130	0.07387273	0.00000000
26	0.00000000	AVG OFFSET TOP (STRONG 5)
5	-1000000000.00000000	0.08533935	0.17072754	0.19298096	0.20157471
6	0.03189852	0.05704834	0.09135488	0.04884779	0.02930783	0.00000000
27	0.00000000	AVG OFFSET TOP (STRONG 6)
4	-1000000000.00000000	0.08095296	0.17131042	0.20042419
5	0.00000000	0.00000000	0.02553372	0.00175548	0.00000000
29	0.00000000	AVG OFFSET TOP C2 (STRONG 3)
4	-1000000000.00000000	0.11337280	0.16223145	0.19468181
5	0.02846650	0.02846650	0.00000000	0.02495302	0.02846650
33	0.00000000	MEAN OFFSET PAIRS
3	-1000000000.00000000	0.26239014	0.39552817
4	0.00435408	0.00435408	-0.01453983	0.00435408
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
7	-1000000000.00000000	0.01778666	0.02229818	0.02643636	0.03579203	0.08746338	0.19776408
8	0.00408541	0.00408541	-0.02966386	-0.02784601	-0.05647973	-0.06437126	-0.06618912	-0.05829759
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
7	-1000000000.00000000	0.01644694	0.02564697	0.03501384	0.05305735	0.17591858	0.19890340
8	0.01450565	0.03426144	0.00952047	-0.01227281	-0.03409301	-0.01955535	-0.01596309	-0.00598891
37	0.00000000	MEAN OFFSET C2 PAIRS
6	-1000000000.00000000	0.09635416	0.18284099	0.37119547	0.39217123	0.40240479
7	-0.01047535	-0.01047535	-0.00369526	0.01466214	0.02219649	0.00861348	-0.01047535
38	0.00000000	WEIGHTED MEAN OFFSET C2 PAIRS
3	-1000000000.00000000	0.02804565	0.20120239
4	0.00000000	0.00000000	0.00362144	0.00000000
45	0.00000000	PAIR OFFSET (STRONG 1)
7	-1000000000.00000000	0.01068115	0.03259277	0.04339600	0.12966919	0.16320801	0.24462891
8	0.03501898	0.03501898	0.05849668	0.07371168	0.07565919	0.00644381	0.02684735	0.02040354
46	0.00000000	PAIR OFFSET (STRONG 2)
8	-1000000000.00000000	0.04180908	0.06323242	0.11560059	0.14739990	0.15832520	0.16870117	0.22247314
9	0.03813020	0.03813020	0.02720488	0.02441614	0.00764151	0.01387604	0.00827890	0.03208427	0.03003989
47	0.00000000	PAIR OFFSET (STRONG 3)
5	-1000000000.00000000	0.00970459	0.11254883	0.12316895	0.16464233
6	0.00000000	0.01671740	0.02468166	0.02281741	0.01233799	0.00000000
48	0.00000000	PAIR OFFSET (STRONG 4)
3	-1000000000.00000000	0.07830811	0.09832764
4	-0.01773973	0.00361310	-0.02150616	-0.02396183
49	0.00000000	PAIR OFFSET (STRONG 5)
6	-1000000000.00000000	0.00939941	0.03668213	0.04663086	0.13433838	0.14535522
7	0.00000000	0.00000000	0.01523440	0.02283124	0.03064398	0.02049825	0.00000000
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
8	-1000000000.00000000	0.02148438	0.04327393	0.06365967	0.13769531	0.18060303	0.19140625	0.22247314
9	0.01624341	0.01624341	0.02078575	0.03235695	-0.01426790	-0.00099664	-0.00272878	-0.02012297	0.01624341
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
3	-1000000000.00000000	0.10552979	0.16833496
4	0.00000000	0.00000000	0.00993906	0.00000000
53	0.00000000	C2 PAIR OFFSET (STRONG 4)
3	-1000000000.00000000	0.05328369	0.15661621
4	0.00175640	0.00175640	0.00000000	0.00175640
55	0.00000000	NUM STRICT 0
4	-1000000000.00000000	1.00000000	3.00000000	4.00000000
5	-0.03528303	-0.11330622	-0.03022029	0.06717084	0.07831341
56	0.00000000	INTEN STRICT 0
7	-1000000000.00000000	0.00379448	0.02146162	0.02922419	0.03399624	0.05513610	0.08365159
8	-0.19726573	-0.20584641	-0.28931958	-0.27384164	-0.24163309	-0.18280830	-0.13342148	0.01821233
57	0.00000000	NUM STRICT 1
9	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000	5.00000000	6.00000000	7.00000000
10	0.06268690	-0.26741587	-0.22762445	-0.12920439	-0.03145255	0.06514053	0.12886597	0.22963638	0.24612158	0.27824021
58	0.00000000	INTEN STRICT 1
10	-1000000000.00000000	0.00000000	0.00473621	0.01174715	0.01918661	0.02358543	0.04102159	0.06788157	0.17074038	0.22166507
11	0.01080096	-0.10183376	-0.00147300	0.02342771	0.00852621	0.02292226	0.11135819	0.08831922	0.14635051	0.09706860	0.06864016
59	0.00000000	NUM STRICT 2
9	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000	5.00000000	6.00000000	7.00000000
10	-0.04161355	-0.32517376	-0.29564642	-0.21883729	-0.11235393	-0.02536169	0.06896908	0.13704819	0.16394179	0.21157830
60	0.00000000	INTEN STRICT 2
7	-1000000000.00000000	0.00000000	0.00886227	0.05977916	0.08382295	0.09966877	0.11914875
8	0.04966537	-0.06084645	-0.01363909	0.04474691	0.08768861	0.08947586	0.11206951	0.13273316
62	0.00000000	INTEN C2 STRICT 0
7	-1000000000.00000000	0.00000000	0.00780251	0.00977954	0.01413323	0.02317511	0.02746487
8	0.00325226	0.02015126	0.02195415	-0.00947057	-0.01932477	-0.00732619	-0.00905528	-0.01085817
63	0.00000000	NUM C2 STRICT 1
2	-1000000000.00000000	1.00000000
3	0.00775675	0.01212601	-0.00781245
64	0.00000000	INTEN C2 STRICT 1
4	-1000000000.00000000	0.02072718	0.02505784	0.03816630
5	0.01203210	0.02076562	0.01398021	-0.01368417	-0.00164972
66	0.00000000	INTEN C2 STRICT 2
3	-1000000000.00000000	0.02507127	0.04999422
4	-0.00865280	-0.00865280	0.00428958	-0.00865280
67	0.00000000	DIFF WITH -2 # PAIRS
10	-1000000000.00000000	-4.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
11	0.09026306	0.04990321	0.08372067	0.21909518	0.24295740	0.20915387	0.21629905	0.16284434	0.17031844	0.16553561	0.14531435
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
7	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000
8	0.13215342	0.13215342	0.11495321	0.16613286	0.14202665	0.12697472	0.07528586	0.13215342
69	0.00000000	DIFF WITH -2 # C2 PAIRS
6	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
7	0.04902208	0.04902208	0.03269613	0.03878231	0.00608618	0.03492330	0.04902208
71	0.00000000	DIFF WITH -2 # H2O PAIRS
8	-1000000000.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
9	0.05488277	0.06877846	0.15497070	0.13842678	0.14617688	0.12834894	0.14490939	0.11437163	0.06558982
72	0.00000000	DIFF WITH -2 # C2 H2O PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.01738570	0.00412003	0.00852026	0.02355344	0.01943341	0.02355344
73	0.00000000	DIFF WITH -2 INTEN PAIRS
14	-1000000000.00000000	-0.29645163	-0.16152510	-0.09613875	-0.04416333	-0.03176760	-0.02301882	-0.01619948	-0.00616551	0.01822613	0.04219752	0.05599612	0.07719626	0.11584660
15	0.61517850	0.30180030	0.34457596	0.41360566	0.46776042	0.49786599	0.46057142	0.52685253	0.51400316	0.52898471	0.52494765	0.53725749	0.53223087	0.57368044	0.55673304
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
16	-1000000000.00000000	-0.15751106	-0.09329469	-0.04140944	-0.02928685	-0.02049379	-0.01335914	-0.00753058	-0.00227247	0.00032568	0.00544607	0.01015737	0.01569943	0.02982497	0.05322793	0.11263322
17	0.38251119	0.36245454	0.37038482	0.29136941	0.40366336	0.33208266	0.37474754	0.33940695	0.40366336	0.35500121	0.44102059	0.32029310	0.44315574	0.43602752	0.44315574	0.44080883	0.43522546
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
17	-1000000000.00000000	-0.08262920	-0.05571264	-0.03242708	-0.02004571	-0.01546924	-0.01159069	-0.00815740	-0.00056037	0.00000000	0.00400747	0.01088649	0.01447971	0.01870746	0.02361129	0.02954168	0.03701004
18	0.19753842	0.17409634	0.16514668	0.13851877	0.13228753	0.19871665	0.20214673	0.16616196	0.17019400	0.14580147	0.18516057	0.20559282	0.13368261	0.17241919	0.18401772	0.19293640	0.21956494	0.22342640
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
13	-1000000000.00000000	-0.02446360	-0.01951072	-0.01565250	-0.00954402	-0.00617026	-0.00234235	0.00000000	0.00501655	0.00843040	0.01136457	0.01740597	0.02134520
14	0.18563338	0.17197452	0.17599575	0.18805787	0.08775942	0.16824360	0.14107327	0.17604974	0.16935059	0.13154401	0.14772329	0.15488135	0.16966292	0.19701981
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
14	-1000000000.00000000	-0.20117828	-0.10709197	-0.04632930	-0.00249233	0.00000000	0.00075489	0.00458453	0.00840758	0.01757986	0.02338824	0.03016304	0.04922376	0.06366089
15	0.25694789	0.16033284	0.28086358	0.30475124	0.35720005	0.27677152	0.35946179	0.38290266	0.37884497	0.36960377	0.43546376	0.40943671	0.43112547	0.49422791	0.52472892
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
17	-1000000000.00000000	-0.08017474	-0.05395284	-0.03170743	-0.01955439	-0.01505820	-0.00437519	-0.00031096	0.00000000	0.00743961	0.01063323	0.01409360	0.01815011	0.02283594	0.02849597	0.03562151	0.04510247
18	0.16211922	0.15056928	0.17464547	0.13376951	0.12780698	0.17456122	0.14025637	0.17308116	0.16099098	0.13698873	0.16355116	0.14948207	0.18620192	0.18444137	0.18992342	0.17241955	0.18992342	0.16844345
79	0.00000000	DIFF WITH -1 # PAIRS
4	-1000000000.00000000	-4.00000000	0.00000000	2.00000000
5	0.00000000	0.00000000	0.06476608	0.00637412	0.00000000
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	3.00000000
6	0.06470804	0.00000000	0.09200316	0.16360435	0.20113251	0.19566424
81	0.00000000	DIFF WITH -1 # C2 PAIRS
2	-1000000000.00000000	-2.00000000
3	0.00734365	0.00000000	0.00734365
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
2	-1000000000.00000000	-1.00000000
3	0.00000000	0.00000000	0.00183496
83	0.00000000	DIFF WITH -1 # H2O PAIRS
3	-1000000000.00000000	-1.00000000	3.00000000
4	0.00801182	0.01189990	0.00000000	0.00225808
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	0.02365022	0.02365022	0.00000000	0.00383031	0.02365022
85	0.00000000	DIFF WITH -1 INTEN PAIRS
8	-1000000000.00000000	-0.18167841	-0.11313795	-0.04013252	-0.02984746	0.00526303	0.01436542	0.02031191
9	0.09458945	0.04159216	0.05594990	0.14329861	0.19712588	0.15553372	0.19962139	0.18482801	0.17096165
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
13	-1000000000.00000000	-0.11039149	-0.07386308	-0.03769077	-0.02742561	-0.00738460	-0.00237108	0.00000000	0.00648415	0.01172146	0.01783850	0.04722482	0.06684961
14	0.34313403	0.09243709	0.11868200	0.27870442	0.28390358	0.30452164	0.22773860	0.19003879	0.21802780	0.23773380	0.26048527	0.39837337	0.40487667	0.42036397
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
5	-1000000000.00000000	-0.08733013	-0.03484111	-0.00589139	0.00000000
6	0.05179841	0.00000000	0.05805086	0.07916076	0.09185309	0.08620485
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
8	-1000000000.00000000	-0.02551432	-0.00722855	-0.00347321	0.00000000	0.00464108	0.01395275	0.01717500
9	0.02898119	0.02898119	0.03277554	0.04460725	0.02721458	0.01087731	0.00000000	0.01249230	0.02898119
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
9	-1000000000.00000000	-0.12249424	-0.05938897	0.00269657	0.02087862	0.02770109	0.03643865	0.06522987	0.09503359
10	0.02535539	0.02535539	0.04162806	0.06933130	0.08545166	0.15160083	0.13406183	0.24246521	0.25748317	0.26782060
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
6	-1000000000.00000000	-0.05681890	-0.01636936	0.00000000	0.02250677	0.03512930
7	0.03591767	0.03591767	0.03416302	0.03591767	0.00175465	0.03414990	0.03591767
91	0.00000000	DIFF WITH +1 # PAIRS
4	-1000000000.00000000	-4.00000000	-3.00000000	2.00000000
5	-0.05853228	0.00000000	-0.06996464	-0.08654202	-0.10540510
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
7	-1000000000.00000000	-6.00000000	-4.00000000	-2.00000000	-1.00000000	1.00000000	3.00000000
8	0.03645844	0.04856118	0.00106302	-0.02604866	-0.07460984	-0.06833776	-0.04528772	0.03038514
93	0.00000000	DIFF WITH +1 # C2 PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	2.00000000
6	0.00000000	0.00000000	-0.00184228	-0.03450538	-0.01679849	0.00000000
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	-0.00564081	-0.00564081	-0.00196500	0.00000000	-0.00564081
95	0.00000000	DIFF WITH +1 # H2O PAIRS
8	-1000000000.00000000	-5.00000000	-4.00000000	-3.00000000	-2.00000000	-1.00000000	1.00000000	2.00000000
9	-0.09671839	0.00000000	-0.06028055	-0.11113377	-0.16954320	-0.19170586	-0.22957238	-0.24042689	-0.20973839
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
7	0.00000000	0.00000000	-0.01940005	-0.02434173	-0.02854097	-0.03725214	0.00000000
97	0.00000000	DIFF WITH +1 INTEN PAIRS
6	-1000000000.00000000	-0.28382319	-0.00120056	0.01487807	0.03728973	0.10468146
7	-0.03914636	-0.03914636	-0.11078072	-0.05614097	-0.09528733	-0.05284386	-0.03914636
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.01778896	-0.00128327	0.01819284	0.10215800
6	-0.04868169	-0.04868169	-0.07498133	-0.00418565	-0.05286734	-0.04868169
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
6	-1000000000.00000000	-0.04629870	-0.01811901	-0.00679156	0.02853494	0.04604929
7	-0.01698514	-0.01698514	-0.00176515	-0.00540534	-0.01456031	-0.02062533	-0.01521999
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
6	-1000000000.00000000	-0.02095350	-0.01711497	-0.01103411	0.00764549	0.03446779
7	-0.04060586	-0.04060586	-0.02735550	0.00000000	-0.02147597	-0.02393633	-0.04060586
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
7	-1000000000.00000000	-0.08254346	-0.05920415	-0.00027054	0.02303552	0.05243894	0.07085252
8	-0.01996345	0.02450931	-0.00149726	-0.04084488	-0.07399345	-0.06297732	-0.05752045	-0.04646096
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
6	-1000000000.00000000	-0.08627810	-0.02797077	-0.02234546	0.00938263	0.05806647
7	-0.00735993	-0.00735993	-0.02729985	-0.00979671	-0.01715664	-0.01127516	-0.00735993
103	0.00000000	DIFF WITH +2 # PAIRS
6	-1000000000.00000000	-4.00000000	-3.00000000	-1.00000000	0.00000000	4.00000000
7	-0.09923538	-0.09923538	0.03840643	0.04497048	0.02327313	-0.02318297	-0.09745886
104	0.00000000	DIFF WITH +2 # STRONG PAIRS
4	-1000000000.00000000	-3.00000000	0.00000000	2.00000000
5	-0.02386644	-0.03377985	0.02431725	0.01972673	-0.00946260
105	0.00000000	DIFF WITH +2 # C2 PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.00164501	-0.00949442	-0.01874786	-0.01329701	0.01064038
107	0.00000000	DIFF WITH +2 # H2O PAIRS
5	-1000000000.00000000	-4.00000000	-2.00000000	-1.00000000	1.00000000
6	-0.02181866	0.00466488	0.01569427	0.00009948	0.00691634	-0.03005220
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	-0.00393420	-0.00393420	0.00267334	0.00660755	-0.00393420
109	0.00000000	DIFF WITH +2 INTEN PAIRS
7	-1000000000.00000000	-0.16258815	-0.06496014	-0.00698859	0.01261866	0.04272341	0.12134799
8	-0.05519718	-0.05889899	-0.05510359	-0.03612504	0.00958563	0.02907910	-0.00860124	-0.05341417
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.15934798	-0.09516478	-0.00393120	0.00472880	0.07679231	0.11808480
8	-0.06765891	-0.06765891	-0.06220245	-0.01579001	0.03374250	-0.02609087	-0.03461894	-0.06765891
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
7	-1000000000.00000000	-0.04525420	-0.03554888	-0.00636191	0.00248584	0.01751203	0.03570129
8	0.01617342	0.01617342	0.01986535	0.02183717	-0.00815808	0.00619424	0.02170677	0.01800194
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
10	-1000000000.00000000	-0.03422705	-0.02060421	-0.01071101	-0.00760086	-0.00398857	-0.00051025	0.01681124	0.02067157	0.03448280
11	-0.02965870	-0.02965870	-0.02608663	-0.01993252	-0.01763174	-0.00142333	0.01642589	0.02210352	0.01033433	-0.01127498	-0.02965870
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
7	-1000000000.00000000	-0.09715168	-0.03943351	-0.00570923	0.00691915	0.02368266	0.07696274
8	-0.02886320	-0.02886320	0.01610072	-0.02516374	-0.01084096	0.00708851	0.00320947	-0.02886320
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
5	-1000000000.00000000	-0.05859748	-0.00295805	0.00000000	0.04335386
6	-0.00477318	-0.00477318	0.00188366	-0.02722707	-0.02943455	-0.00477318
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
7	-1000000000.00000000	-4.00000000	-3.00000000	-2.00000000	-1.00000000	1.00000000	4.00000000
8	0.06843591	-0.00671968	0.04343286	0.09488613	0.10048824	0.11787255	0.13354748	0.12421420
117	0.00000000	DIFF +1/-1 # C2 PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.04012198	0.04012198	0.00950146	-0.01275010	0.04363473
118	0.00000000	DIFF +1/-1 # STRONG C2 PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.02189661	0.02189661	0.03162843	0.04559906	-0.00257441	0.02189661
119	0.00000000	DIFF +1/-1 # H2O PAIRS
6	-1000000000.00000000	-4.00000000	-1.00000000	0.00000000	1.00000000	4.00000000
7	-0.00657336	-0.00657336	0.02427621	0.03934828	0.04128451	0.06257068	0.00537457
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
3	-1000000000.00000000	0.00000000	2.00000000
4	-0.00209359	-0.00209359	0.00000000	-0.00209359
121	0.00000000	DIFF +1/-1 INTEN PAIRS
9	-1000000000.00000000	-0.19703832	-0.04128147	-0.01474351	-0.00457908	0.00000000	0.00362162	0.07197160	0.16863839
10	-0.01475810	-0.01921780	0.17266880	0.15149892	0.11345977	0.10045914	0.09635887	0.06768754	0.05184868	-0.00553885
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
9	-1000000000.00000000	-0.07959460	-0.03873319	-0.01194463	-0.00014480	0.00000000	0.00515569	0.10289128	0.16547807
10	0.07568672	0.07568672	0.08348442	0.07780424	0.11082211	0.02354012	0.10277253	0.13691291	0.10691513	0.07568672
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
5	-1000000000.00000000	-0.00547367	0.00718500	0.02320893	0.06187412
6	-0.00715612	-0.00715612	0.00018794	0.01229718	0.01408462	-0.00715612
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
6	-1000000000.00000000	-0.02008647	-0.01001990	-0.00674853	0.00816728	0.02636945
7	0.00576057	0.00576057	-0.00680896	-0.00505895	-0.00312403	0.01187939	0.00576057
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
11	-1000000000.00000000	-0.09260015	-0.04766619	-0.00284438	0.00000000	0.00581140	0.01033171	0.01549209	0.02908449	0.03850836	0.13936941
12	0.13188090	0.01655116	0.05657223	0.07536340	0.04215164	0.08690141	0.13989087	0.10273803	0.13846974	0.11863769	0.17787802	0.16836835
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
7	-1000000000.00000000	-0.03297907	-0.02049071	-0.00104314	0.00353911	0.01042936	0.02261488
8	0.02220120	0.00118425	0.02520546	0.05465427	0.02829285	0.03188029	0.06610570	0.04967252
0
127
91
0	0.00000000	OFFSET FROM MEASURED M/Z
13	-1000000000.00000000	-1.57312012	-1.42309570	-0.97302246	-0.87304688	-0.52307129	-0.42309570	-0.22302246	-0.12304688	-0.02307129	0.07690430	0.22692871	0.37695313
14	-0.11786084	-0.12303576	0.37348425	0.53462439	0.57074281	0.58741387	0.60376375	0.63696048	0.61721198	0.42257946	0.13791611	-0.00901072	-0.07656659	-0.08726816
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
6	-1000000000.00000000	-1.62304688	-0.62304688	-0.52307129	-0.07312012	0.42687988
7	-0.02804959	-0.02804959	0.00000000	-0.00449563	-0.00795441	-0.01896467	-0.02804959
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
3	-1000000000.00000000	-0.67309570	-0.47302246
4	-0.01456713	-0.02215165	-0.02553586	0.00000000
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
9	-1000000000.00000000	-1.62304688	-1.47302246	-1.12304688	-1.02307129	-0.07312012	0.02697754	0.22692871	0.37695313
10	-0.09916263	-0.09916263	-0.02898412	0.05747878	0.06363633	0.14314545	0.03085135	-0.05775099	-0.07182612	-0.09916263
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
7	-1000000000.00000000	-1.77307129	-0.87304688	-0.67309570	-0.52307129	-0.47302246	0.32690430
8	-0.01475598	-0.02660295	0.28213477	0.29207341	0.26901938	0.27848588	0.29879909	-0.00993864
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
3	-1000000000.00000000	-0.52307129	-0.32312012
4	-0.00350152	-0.00350152	0.00000000	-0.00350152
7	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=4
2	-1000000000.00000000	-1.17309570
3	0.01584322	0.00000000	0.01584322
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
6	-1000000000.00000000	-0.92309570	-0.62304688	-0.42309570	0.22692871	0.37695313
7	-0.09685175	-0.09685175	-0.01005051	-0.02092736	-0.01087686	-0.06049237	-0.09685175
12	0.00000000	# STRONG PAIRS
3	-1000000000.00000000	2.00000000	3.00000000
4	0.01157311	0.01157311	-0.01679827	0.01157311
15	0.00000000	# H2O PAIRS
2	-1000000000.00000000	2.00000000
3	-0.02476924	-0.03822402	0.02613304
19	0.00000000	INTEN C2 PAIRS
7	-1000000000.00000000	0.00723672	0.01787684	0.02928996	0.03276385	0.05195892	0.06960694
8	-0.02020277	-0.02020277	-0.01674629	-0.01119189	0.00103293	0.02248029	0.01090348	-0.02020277
20	0.00000000	INTEN STRONG C2 PAIRS
4	-1000000000.00000000	0.01180811	0.01609601	0.02845716
5	-0.01196853	-0.01196853	-0.00462976	0.00882841	-0.01196853
21	0.00000000	INTEN H2O PAIRS
7	-1000000000.00000000	0.00000000	0.00862181	0.01120075	0.01381217	0.03103991	0.03563066
8	0.04572119	0.01020913	-0.03360601	0.01266529	0.04381299	0.05135727	0.05822712	0.06870703
22	0.00000000	INTEN C2 H2O PAIRS
6	-1000000000.00000000	0.00721832	0.01306825	0.02024706	0.05090843	0.08247520
7	-0.02275605	-0.02275605	0.00359626	0.01923335	0.03814689	0.05439525	-0.02275605
23	0.00000000	AVG OFFSET TOP (STRONG 2)
3	-1000000000.00000000	0.21713257	0.23278809
4	0.00000000	0.03249324	0.01475358	0.00000000
25	0.00000000	AVG OFFSET TOP (STRONG 4)
6	-1000000000.00000000	0.12638092	0.15361023	0.16976929	0.19422913	0.20129395
7	0.02483145	0.05739612	0.03933355	0.03356053	0.04765945	0.04099082	0.01409892
26	0.00000000	AVG OFFSET TOP (STRONG 5)
2	-1000000000.00000000	0.20173340
3	0.02354289	0.03155129	0.00000000
27	0.00000000	AVG OFFSET TOP (STRONG 6)
2	-1000000000.00000000	0.16601563
3	0.01013651	0.02789812	0.00000000
28	0.00000000	AVG OFFSET TOP C2 (STRONG 2)
3	-1000000000.00000000	0.10272217	0.17160034
4	0.00000000	0.00000000	0.03988720	0.00000000
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
4	-1000000000.00000000	0.01448771	0.04251607	0.08822293
5	0.01976686	0.01976686	-0.01013400	-0.02442453	0.01976686
35	0.00000000	MEAN OFFSET STRONG PAIRS
6	-1000000000.00000000	0.13810222	0.21333821	0.33652750	0.38291422	0.39447021
7	0.02246443	0.02246443	0.01229932	0.01562685	-0.02459614	0.01624047	0.02246443
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
6	-1000000000.00000000	0.01936035	0.02920786	0.06844754	0.19145711	0.19723511
7	0.03319046	0.03319046	-0.03106183	-0.04459504	-0.00820303	0.00859234	0.03319046
38	0.00000000	WEIGHTED MEAN OFFSET C2 PAIRS
3	-1000000000.00000000	0.01793247	0.02778117
4	-0.00605334	-0.00605334	0.00000000	-0.00605334
45	0.00000000	PAIR OFFSET (STRONG 1)
6	-1000000000.00000000	0.03320312	0.05444336	0.10754395	0.12927246	0.22430420
7	-0.02303627	-0.02303627	-0.01990575	-0.00028017	-0.01917379	-0.01280231	-0.02303627
46	0.00000000	PAIR OFFSET (STRONG 2)
6	-1000000000.00000000	0.09533691	0.12573242	0.14672852	0.19030762	0.22265625
7	0.03008838	0.03008838	0.01950113	0.02260914	0.03008838	0.01058725	0.03008838
47	0.00000000	PAIR OFFSET (STRONG 3)
5	-1000000000.00000000	0.06225586	0.13455200	0.14538574	0.21960449
6	0.00000000	0.00528595	0.01979610	0.01645146	0.01346982	0.00000000
48	0.00000000	PAIR OFFSET (STRONG 4)
3	-1000000000.00000000	0.04956055	0.16369629
4	-0.00296372	-0.00296372	0.00000000	-0.00609962
49	0.00000000	PAIR OFFSET (STRONG 5)
3	-1000000000.00000000	0.17150879	0.23858643
4	0.00668041	0.00668041	0.00000000	0.00668041
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
6	-1000000000.00000000	0.10546875	0.12573242	0.16870117	0.21118164	0.23242188
7	0.04087694	0.04087694	0.00323868	0.02506114	0.02182247	0.03162279	0.04087694
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
3	-1000000000.00000000	0.05334473	0.12561035
4	0.01608377	0.01608377	0.00000000	0.01608377
53	0.00000000	C2 PAIR OFFSET (STRONG 4)
5	-1000000000.00000000	0.04211426	0.05230713	0.19750977	0.24133301
6	0.00000000	0.00000000	-0.02901680	-0.04665812	-0.03342305	0.00000000
55	0.00000000	NUM STRICT 0
2	-1000000000.00000000	3.00000000
3	0.00000000	-0.10467634	0.00000000
56	0.00000000	INTEN STRICT 0
9	-1000000000.00000000	0.00325295	0.01138254	0.01390607	0.03627903	0.04938414	0.05864140	0.07066149	0.08813652
10	0.03157756	-0.03944842	-0.05267439	-0.07084518	-0.08514190	0.01736516	0.02073501	0.02421690	0.05975802	0.11962597
57	0.00000000	NUM STRICT 1
9	-1000000000.00000000	1.00000000	2.00000000	3.00000000	4.00000000	5.00000000	6.00000000	7.00000000	9.00000000
10	-0.01456271	-0.19012239	-0.13089510	-0.07083521	-0.00205803	0.08756761	0.12318659	0.13870675	0.17309375	0.33700293
58	0.00000000	INTEN STRICT 1
11	-1000000000.00000000	0.00000000	0.01660268	0.02118933	0.02640536	0.03230474	0.03915676	0.05569650	0.06590197	0.22075951	0.28173354
12	0.01203115	-0.11506457	-0.06636384	-0.05355424	-0.03831037	0.01108136	0.05025860	0.11563823	0.13418640	0.20063729	0.15351858	0.12973821
59	0.00000000	NUM STRICT 2
8	-1000000000.00000000	1.00000000	3.00000000	4.00000000	5.00000000	6.00000000	8.00000000	9.00000000
9	-0.06682585	-0.27252388	-0.22390585	-0.12603238	-0.04969403	0.08040043	0.14447882	0.25407853	0.29908963
60	0.00000000	INTEN STRICT 2
7	-1000000000.00000000	0.01549067	0.03059967	0.05184814	0.06077187	0.13124725	0.18529725
8	-0.10600069	-0.18027677	-0.16867499	-0.13841724	-0.08370497	-0.03070689	0.01268676	0.07244133
62	0.00000000	INTEN C2 STRICT 0
4	-1000000000.00000000	0.00466615	0.02230230	0.03534267
5	-0.00210680	0.02817196	-0.02264656	-0.03098474	-0.03776842
64	0.00000000	INTEN C2 STRICT 1
3	-1000000000.00000000	0.00000000	0.03645977
4	0.01990003	0.01990003	0.00000000	0.01990003
66	0.00000000	INTEN C2 STRICT 2
4	-1000000000.00000000	0.00616766	0.01816034	0.03624151
5	-0.00723978	-0.00364912	0.00330242	-0.01357420	-0.00723978
67	0.00000000	DIFF WITH -2 # PAIRS
7	-1000000000.00000000	-4.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	3.00000000
8	0.17319381	0.16389659	0.04338283	0.17085283	0.18727022	0.16513165	0.18727022	0.16602596
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
7	-1000000000.00000000	-5.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000
8	0.14290890	0.14290890	0.13770668	0.16224578	0.14974365	0.10008054	0.03704122	0.14290890
69	0.00000000	DIFF WITH -2 # C2 PAIRS
5	-1000000000.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
6	0.05478011	0.05478011	0.01269796	0.00000000	0.02927038	0.05478011
70	0.00000000	DIFF WITH -2 # STRONG C2 PAIRS
4	-1000000000.00000000	-2.00000000	0.00000000	1.00000000
5	0.00796262	0.00796262	0.04805024	0.00000000	0.00796262
72	0.00000000	DIFF WITH -2 # C2 H2O PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	2.00000000
6	0.04769175	0.04769175	0.02058863	0.02771519	0.00712656	0.04769175
73	0.00000000	DIFF WITH -2 INTEN PAIRS
12	-1000000000.00000000	-0.06112944	-0.02123949	-0.01460021	-0.00909433	0.00745815	0.01191805	0.01688944	0.02280378	0.03837908	0.04955660	0.08666587
13	0.10509206	0.12512433	0.15673583	0.15335548	0.18301718	0.28870120	0.23775233	0.25943305	0.19267247	0.25726019	0.23809085	0.17340938	0.15696154
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
9	-1000000000.00000000	-0.09141611	-0.03977843	0.00251906	0.01423026	0.04652333	0.06150460	0.08384319	0.12260071
10	1.17901599	0.51414699	0.72402385	0.77652676	0.74615983	0.77652676	0.93169836	0.95841583	0.98125241	1.13576880
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
11	-1000000000.00000000	-0.08369397	-0.05674268	-0.03356468	-0.02648890	-0.01637633	-0.01232197	-0.00555700	0.00870602	0.01195015	0.03853855
12	0.14090930	0.14090930	0.09329876	0.10037326	0.13784556	0.07105321	0.10610561	0.14090930	0.12114743	0.14090930	0.13416476	0.14090930
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
11	-1000000000.00000000	-0.04863597	-0.03117263	-0.01495967	-0.00346883	-0.00055561	0.00282137	0.00582560	0.01117843	0.02043328	0.03362393
12	0.13989763	0.13989763	0.12250225	0.11438254	0.10000568	0.13989763	0.08193333	0.06993502	0.13332009	0.13989763	0.10985455	0.13989763
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
14	-1000000000.00000000	-0.06149146	-0.04206941	-0.02078842	-0.01415010	-0.00895076	-0.00405206	0.00000000	0.01211058	0.01664089	0.02188729	0.02799880	0.06943056	0.09027569
15	0.26134329	0.16289836	0.18423739	0.23788531	0.23101110	0.19933513	0.24452161	0.18601893	0.27195057	0.20610508	0.34102525	0.36716188	0.41092148	0.42587156	0.45063035
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
15	-1000000000.00000000	-0.05524809	-0.03328366	-0.02641281	-0.02091002	-0.01227500	-0.00886737	-0.00561206	0.00000000	0.00505723	0.01543235	0.02453036	0.03746098	0.04690661	0.06162123
16	0.21708497	0.21708497	0.13079723	0.16282685	0.22067160	0.23817061	0.13503159	0.17745349	0.18052651	0.14977999	0.14312324	0.16751525	0.21626457	0.21297852	0.22513950	0.21708497
79	0.00000000	DIFF WITH -1 # PAIRS
4	-1000000000.00000000	-5.00000000	-4.00000000	1.00000000
5	0.04923057	0.00000000	0.08307997	0.08881060	0.10442637
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
3	-1000000000.00000000	-2.00000000	0.00000000
4	0.01789739	0.00000000	0.02129901	0.04015626
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
3	-1000000000.00000000	-2.00000000	1.00000000
4	0.00683947	0.00683947	0.00000000	0.00683947
83	0.00000000	DIFF WITH -1 # H2O PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.02246123	0.02246123	0.07544542	0.01518439	0.00000000	0.02246123
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
5	-1000000000.00000000	-3.00000000	0.00000000	1.00000000	2.00000000
6	0.02035509	0.02035509	0.02362675	0.00000000	0.01268787	0.02035509
85	0.00000000	DIFF WITH -1 INTEN PAIRS
6	-1000000000.00000000	-0.17684655	-0.05543397	0.02209298	0.02976928	0.07426588
7	0.10082267	0.03463784	0.04933770	0.15991852	0.33530309	0.28061484	0.31525269
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.05278862	-0.03837559	-0.01337855	0.00030349	0.05065651	0.07168034
8	0.03865229	0.00000000	0.03505239	0.06542103	0.07797805	0.08478474	0.08799629	0.09136900
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
9	-1000000000.00000000	-0.08740219	-0.01782205	-0.01356448	-0.00291087	0.00068266	0.00445618	0.02426506	0.03027081
10	0.05708805	0.05708805	0.06857374	0.06548696	0.03874072	0.00688585	0.00997264	0.00308678	0.02597619	0.05708805
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.01008762	0.00818381	0.02488151
5	0.00000000	0.00000000	0.01787222	0.00306952	0.00000000
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
7	-1000000000.00000000	-0.00347303	0.00351963	0.02272364	0.02984623	0.05060260	0.09668278
8	0.29026814	0.06646909	0.06347560	0.07308665	0.06683272	0.22679254	0.24034042	0.29026814
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
7	-1000000000.00000000	-0.02756885	-0.02201980	-0.00952887	0.01125317	0.02393666	0.02961719
8	0.05614768	0.05614768	0.02330629	0.00337173	0.00000000	0.01187220	0.02134028	0.05614768
91	0.00000000	DIFF WITH +1 # PAIRS
3	-1000000000.00000000	-1.00000000	1.00000000
4	-0.03138564	-0.03138564	0.00000000	-0.03138564
93	0.00000000	DIFF WITH +1 # C2 PAIRS
3	-1000000000.00000000	0.00000000	1.00000000
4	0.00000000	0.00000000	-0.00317153	0.00000000
95	0.00000000	DIFF WITH +1 # H2O PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	3.00000000
6	-0.00654088	-0.00654088	-0.04367007	-0.03712918	-0.04367007	-0.00654088
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000
6	-0.01776795	-0.00627129	0.00000000	-0.00654798	-0.02087947	-0.01776795
97	0.00000000	DIFF WITH +1 INTEN PAIRS
5	-1000000000.00000000	-0.01463817	0.00222451	0.01697682	0.04044471
6	-0.03394556	-0.03784989	0.00000000	-0.00798861	-0.01681027	-0.01996817
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
4	-1000000000.00000000	-0.01813378	-0.00601540	0.00850236
5	-0.06902744	-0.09325571	-0.08978384	0.00000000	-0.05400234
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
5	-1000000000.00000000	-0.01479662	-0.01103313	-0.00023928	0.03713341
6	-0.00603446	-0.00603446	0.00000000	-0.00985858	-0.01294563	-0.00603446
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.01605141	0.01050880	0.01601999
5	-0.00658625	-0.00658625	0.00000000	-0.03242857	-0.00658625
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
12	-1000000000.00000000	-0.11778960	-0.05936438	-0.03458469	-0.01979908	-0.00955133	-0.00013102	0.00342196	0.01276286	0.03191693	0.05377674	0.10002038
13	-0.00810166	0.02806669	-0.00614615	-0.02707683	-0.05129084	-0.06834987	-0.10213751	-0.15331547	-0.11887273	-0.09132295	-0.10452930	-0.08031530	-0.04352419
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
8	-1000000000.00000000	-0.04581995	-0.03651145	-0.01459753	-0.00033091	0.02311495	0.02869002	0.04555893
9	-0.06327203	-0.06327203	-0.02612758	-0.05314890	-0.06623623	-0.04010865	-0.05778929	-0.06623623	-0.06327203
103	0.00000000	DIFF WITH +2 # PAIRS
3	-1000000000.00000000	-2.00000000	0.00000000
4	-0.01471519	-0.01471519	0.00352486	-0.01471519
104	0.00000000	DIFF WITH +2 # STRONG PAIRS
3	-1000000000.00000000	-3.00000000	2.00000000
4	-0.01154773	-0.01154773	0.00669687	-0.01154773
105	0.00000000	DIFF WITH +2 # C2 PAIRS
3	-1000000000.00000000	-1.00000000	1.00000000
4	0.00321483	0.00321483	-0.00870502	0.00321483
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	0.00000000	1.00000000
5	-0.00280372	-0.00280372	-0.01146136	0.00703470	-0.00280372
109	0.00000000	DIFF WITH +2 INTEN PAIRS
5	-1000000000.00000000	-0.14877211	-0.01862332	0.08609611	0.12684064
6	-0.07116860	-0.07116860	0.02050698	-0.00505492	-0.05669728	-0.07116860
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.08979878	-0.03219914	-0.02344028	0.01765546	0.08317143	0.12368861
8	-0.12941147	-0.12941147	-0.01270742	-0.00388582	-0.01023838	0.01314880	-0.04527099	-0.12941147
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
8	-1000000000.00000000	-0.06128750	-0.03691526	-0.01080556	-0.00740491	0.00000000	0.01425366	0.04647992
9	-0.03292083	-0.03292083	0.00808340	-0.03633507	-0.00686855	-0.05202941	-0.02649267	-0.01079429	-0.03292083
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
6	-1000000000.00000000	-0.02438941	-0.00195062	0.00160490	0.00459922	0.00766928
7	-0.03630659	-0.03630659	-0.02566844	0.00657441	-0.00001695	-0.00743459	-0.03630659
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
4	-1000000000.00000000	-0.08800023	0.00000000	0.03542282
5	0.00000000	0.00000000	-0.02896403	-0.01374801	0.00000000
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
5	-1000000000.00000000	-3.00000000	-1.00000000	1.00000000	3.00000000
6	0.03283629	-0.02954324	0.06101749	0.08789622	0.11455559	0.10523495
117	0.00000000	DIFF +1/-1 # C2 PAIRS
4	-1000000000.00000000	-3.00000000	0.00000000	1.00000000
5	0.00630576	0.00630576	0.00000000	0.00976497	0.00630576
118	0.00000000	DIFF +1/-1 # STRONG C2 PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	-0.00417682	-0.00417682	0.05622188	0.03646040	-0.00417682
119	0.00000000	DIFF +1/-1 # H2O PAIRS
4	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000
5	0.01532191	-0.01545178	0.15427632	0.15753405	0.18625549
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000	2.00000000
6	-0.00427188	-0.00427188	-0.00131104	0.00970410	0.00674325	-0.00427188
121	0.00000000	DIFF +1/-1 INTEN PAIRS
9	-1000000000.00000000	-0.31123635	-0.19459632	-0.06119732	-0.00989131	0.02177990	0.02972511	0.10387091	0.16204749
10	-0.02481170	-0.02481170	0.01685824	0.02231607	0.04324953	0.01784253	0.02187164	0.06916534	0.01388677	-0.02481170
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
9	-1000000000.00000000	-0.30683693	-0.19002676	-0.12409367	-0.05826160	-0.02950641	0.00000000	0.06999316	0.15794151
10	-0.01648804	-0.01648804	0.01388159	0.04123863	0.16230021	0.18711554	0.16964726	0.19089083	0.16796899	-0.01648804
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
7	-1000000000.00000000	-0.02802893	-0.02234404	-0.01327711	-0.00630843	0.00000000	0.01146268
8	-0.01438620	-0.01438620	0.01435661	0.02068632	-0.00082995	-0.00822257	-0.01131269	-0.01438620
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
7	-1000000000.00000000	-0.03231319	-0.02385665	-0.01252654	-0.00992665	0.00236800	0.01337269
8	0.00455574	0.00455574	0.01167998	0.04894697	0.01287172	-0.02962635	-0.01512900	0.00455574
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
9	-1000000000.00000000	-0.09056440	-0.03539273	-0.00130942	0.00000000	0.01311276	0.04175578	0.07000033	0.13297673
10	0.12498062	-0.00234178	0.00079826	0.01067061	-0.00835730	0.03442550	0.09748204	0.13838576	0.15333066	0.15688586
4
0
127
104
0	0.00000000	OFFSET FROM MEASURED M/Z
13	-1000000000.00000000	-0.96258545	-0.79589844	-0.69592285	-0.52923584	-0.46258545	-0.26260376	-0.19592285	-0.16259766	0.00405884	0.07073975	0.13745117	0.30407715
14	-0.24303274	-0.28903664	-0.09665145	-0.03478440	-0.00048671	0.03333483	0.04545713	-0.01763501	-0.15377515	-0.33590026	0.31361652	0.19092789	0.02582181	-0.20340896
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
8	-1000000000.00000000	-0.99591064	-0.56256104	-0.39593506	-0.32922363	-0.19592285	-0.09594727	0.00408936
9	-0.34815887	-0.34815887	-0.25820248	0.01241816	0.04051882	-0.38785253	-0.33222638	-0.29317665	-0.34815887
2	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=4
5	-1000000000.00000000	-0.72921753	-0.59594727	-0.52923584	-0.29589844
6	-0.16154417	-0.16154417	-0.14808777	-0.10444988	0.00000000	-0.16154417
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
5	-1000000000.00000000	-0.62927246	-0.56259155	-0.52923584	0.00408936
6	0.00000000	0.00000000	0.06023607	0.08110317	0.10654897	0.00000000
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
8	-1000000000.00000000	-0.99591064	-0.89590454	-0.79595947	-0.62927246	-0.52926636	-0.09594727	0.00408936
9	-0.59060555	-0.59060555	-0.17549707	0.04141402	0.04703952	0.07950111	-0.00367758	0.14746098	-0.59060555
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
8	-1000000000.00000000	-0.62927246	-0.59594727	-0.52923584	-0.42926025	-0.29589844	-0.22924805	0.00408936
9	-0.14783905	-0.14783905	-0.11573822	0.23425405	0.24133964	0.24371655	0.24024182	0.11958294	-0.14783905
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
6	-1000000000.00000000	-0.62927246	-0.49591064	0.00408936	0.23742676	0.43743896
7	0.00768805	0.00768805	0.01995633	0.09876101	-0.11697959	0.02584223	0.00768805
8	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS >4
10	-1000000000.00000000	-0.56256104	-0.39593506	-0.29592896	-0.26263428	-0.19592285	-0.16259766	-0.12927246	-0.02923584	0.00408936
11	0.15083257	0.15083257	0.10691823	0.08556297	0.05348558	0.00002517	-0.06939143	-0.07248141	-0.10918687	0.72409429	0.15083257
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
10	-1000000000.00000000	-0.92926025	-0.86254883	-0.69592285	-0.52923584	-0.46258545	-0.36257935	-0.22924805	0.00408936	0.23742676
11	-0.33115139	-0.33115139	-0.25595170	-0.09145559	-0.06572077	-0.05522078	-0.03449097	0.02517778	-0.21451803	-0.33381547	-0.33115139
10	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS >=3
6	-1000000000.00000000	-0.62927246	-0.46258545	-0.26263428	-0.06256104	0.00408936
7	-0.02286818	-0.02286818	-0.00809452	-0.00057893	-0.04234852	0.09268246	-0.02286818
14	0.00000000	# STRONG C2 PAIRS
5	-1000000000.00000000	0.00000000	1.00000000	3.00000000	4.00000000
6	0.04761076	0.04761076	-0.07740954	-0.00685672	0.02093236	0.04761076
15	0.00000000	# H2O PAIRS
3	-1000000000.00000000	1.00000000	2.00000000
4	0.06097468	-0.09371117	-0.02528503	0.11256376
16	0.00000000	# C2 H2O PAIRS
4	-1000000000.00000000	0.00000000	3.00000000	4.00000000
5	0.04845568	0.04845568	-0.03864255	0.04342258	0.04845568
17	0.00000000	INTEN PAIRS
6	-1000000000.00000000	0.00850256	0.01430618	0.02212460	0.04150400	0.08602549
7	0.02623505	0.02623505	-0.00508909	0.01565467	0.00822859	0.01315017	0.02623505
18	0.00000000	INTEN STRONG PAIRS
3	-1000000000.00000000	0.00651380	0.11558145
4	-0.00751673	-0.00751673	0.00000000	-0.00751673
19	0.00000000	INTEN C2 PAIRS
6	-1000000000.00000000	0.01931811	0.07813712	0.11420862	0.22812651	0.30932355
7	0.07799665	0.07799665	-0.06198891	-0.04754898	-0.03061200	0.02742277	0.07799665
20	0.00000000	INTEN STRONG C2 PAIRS
5	-1000000000.00000000	0.00611299	0.02150300	0.02927326	0.07622322
6	-0.02658379	-0.02658379	0.00883462	-0.05373683	-0.03329844	-0.02658379
21	0.00000000	INTEN H2O PAIRS
5	-1000000000.00000000	0.00250941	0.00606688	0.02142445	0.03177353
6	-0.02312194	-0.06583122	-0.05129614	-0.01479697	0.04592358	0.04072081
22	0.00000000	INTEN C2 H2O PAIRS
4	-1000000000.00000000	0.02511563	0.03096635	0.05341844
5	-0.06013321	-0.06013321	-0.02708363	0.05039796	-0.06013321
28	0.00000000	AVG OFFSET TOP C2 (STRONG 2)
4	-1000000000.00000000	0.14614105	0.17065430	0.17858887
5	0.03062506	0.03062506	0.00000000	0.02810436	0.03062506
30	0.00000000	AVG OFFSET TOP C2 (STRONG 4)
5	-1000000000.00000000	0.09545898	0.13090515	0.13642120	0.22402954
6	0.05222376	0.05222376	0.00000000	0.05740935	0.06220061	0.05222376
31	0.00000000	AVG OFFSET TOP C2 (STRONG 5)
7	-1000000000.00000000	0.08200073	0.15654907	0.16474609	0.16910096	0.18510437	0.20781250
8	0.08854781	0.08854781	0.14113287	0.06389141	0.05258506	0.07905118	0.14113287	0.08854781
33	0.00000000	MEAN OFFSET PAIRS
4	-1000000000.00000000	0.26177979	0.34655762	0.41058350
5	0.00256738	0.00256738	-0.00250618	0.00006120	0.00256738
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
5	-1000000000.00000000	0.03640544	0.08725993	0.17327881	0.20529175
6	0.04769359	0.04769359	-0.01693862	-0.03275424	-0.01403812	0.04379619
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
2	-1000000000.00000000	0.16705322
3	0.00000000	0.18685511	0.00000000
45	0.00000000	PAIR OFFSET (STRONG 1)
10	-1000000000.00000000	0.06524658	0.07632446	0.12878418	0.17230225	0.18267822	0.19274902	0.20312500	0.21325684	0.24420166
11	0.04273978	0.13103025	0.10713232	0.08446405	0.08702764	0.06485314	0.03717237	0.03081803	0.01033935	0.00256359	0.02352541
46	0.00000000	PAIR OFFSET (STRONG 2)
8	-1000000000.00000000	0.04223633	0.14727783	0.15759277	0.18969727	0.21163940	0.22222900	0.24328613
9	0.08493316	0.10277300	0.12372408	0.10083412	0.05750704	0.10297112	0.08738344	0.04546408	0.05053481
47	0.00000000	PAIR OFFSET (STRONG 3)
4	-1000000000.00000000	0.09075928	0.10043335	0.22967529
5	0.01671523	0.01671523	-0.01371133	-0.06926311	0.01671523
49	0.00000000	PAIR OFFSET (STRONG 5)
4	-1000000000.00000000	0.06231689	0.09234619	0.23779297
5	0.02393798	0.05156109	0.03566562	0.05156109	0.01589548
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
6	-1000000000.00000000	0.02215576	0.06478882	0.08706665	0.11859131	0.22369385
7	-0.02910519	-0.02910519	0.00323495	-0.05712931	-0.04651720	-0.01861633	-0.02910519
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
6	-1000000000.00000000	0.07373047	0.08428955	0.10534668	0.18066406	0.20172119
7	0.03749809	0.03749809	0.02229864	0.01921545	0.05374448	0.01828265	0.03749809
52	0.00000000	C2 PAIR OFFSET (STRONG 3)
5	-1000000000.00000000	0.02026367	0.05044556	0.13427734	0.22064209
6	0.02046371	0.02046371	0.01721908	-0.00636486	0.03588112	0.02046371
53	0.00000000	C2 PAIR OFFSET (STRONG 4)
5	-1000000000.00000000	0.00973511	0.04069519	0.13330078	0.24224854
6	-0.01797385	-0.01797385	0.00000000	-0.01274406	-0.02040566	-0.01797385
55	0.00000000	NUM STRICT 0
3	-1000000000.00000000	0.00000000	1.00000000
4	0.00760514	-0.04803424	-0.03069164	0.04866542
56	0.00000000	INTEN STRICT 0
4	-1000000000.00000000	0.00000000	0.00469349	0.02132011
5	-0.03668708	-0.04617699	0.00484357	0.02959833	-0.00678493
57	0.00000000	NUM STRICT 1
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.12010684	-0.25401536	-0.03026089	0.11562961	0.23698023
58	0.00000000	INTEN STRICT 1
4	-1000000000.00000000	0.00501553	0.02509744	0.04258197
5	-0.00034411	-0.03447881	0.07947639	0.07362016	0.04424171
59	0.00000000	NUM STRICT 2
5	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000
6	-0.11206428	-0.26593209	-0.17845108	-0.04762096	0.10891278	0.18551561
60	0.00000000	INTEN STRICT 2
6	-1000000000.00000000	0.00000000	0.00872756	0.02543232	0.05839941	0.07980070
7	0.00932332	-0.02745187	-0.02298871	-0.00454608	0.00227270	0.01839388	0.05359269
61	0.00000000	NUM C2 STRICT 0
4	-1000000000.00000000	0.00000000	1.00000000	2.00000000
5	0.00128036	-0.01429819	-0.03434756	0.01403562	0.02504633
62	0.00000000	INTEN C2 STRICT 0
4	-1000000000.00000000	0.00141697	0.05455822	0.09415131
5	0.00459750	0.00459750	0.01761461	-0.01356632	0.00459750
63	0.00000000	NUM C2 STRICT 1
4	-1000000000.00000000	0.00000000	1.00000000	2.00000000
5	-0.01289341	-0.05505339	-0.00839815	0.05459792	0.08280030
64	0.00000000	INTEN C2 STRICT 1
9	-1000000000.00000000	0.00000000	0.00228931	0.00561585	0.00981426	0.01527333	0.03970939	0.07217959	0.10359473
10	-0.01622987	-0.04540948	0.03364625	0.05749106	0.06513966	0.03557556	0.01308920	-0.00150407	0.00624802	0.01166357
65	0.00000000	NUM C2 STRICT 2
5	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000
6	-0.02597992	-0.05120692	-0.02954042	-0.01257391	0.02229693	0.05771397
66	0.00000000	INTEN C2 STRICT 2
5	-1000000000.00000000	0.00000000	0.00912092	0.02056226	0.04819516
6	-0.01037390	-0.02424580	-0.00354641	0.05599460	-0.01639560	0.00437823
67	0.00000000	DIFF WITH -2 # PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	1.00000000	2.00000000
7	0.02946683	0.02946683	0.06226779	0.03280096	0.06226779	0.05983941	0.02946683
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
7	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
8	0.16875774	0.08148306	0.28433994	0.20285688	0.23327810	0.24841305	0.25084062	0.28433994
69	0.00000000	DIFF WITH -2 # C2 PAIRS
9	-1000000000.00000000	-4.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
10	0.03991464	0.02840723	0.03581940	0.14093601	0.16322656	0.25577424	0.23552502	0.19999417	0.14641068	0.13246232
70	0.00000000	DIFF WITH -2 # STRONG C2 PAIRS
4	-1000000000.00000000	-4.00000000	-1.00000000	2.00000000
5	0.08391890	0.00000000	0.24204455	0.25890413	0.22658672
71	0.00000000	DIFF WITH -2 # H2O PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	2.00000000
7	0.03149247	0.03149247	0.00288909	0.01819348	0.03149247	0.07717096	0.08006005
72	0.00000000	DIFF WITH -2 # C2 H2O PAIRS
5	-1000000000.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000
6	0.06325748	0.03804198	0.00000000	0.04151706	0.08722425	0.09792164
73	0.00000000	DIFF WITH -2 INTEN PAIRS
13	-1000000000.00000000	-0.18352887	-0.04613641	-0.03190205	-0.01014385	-0.00555601	-0.00055170	0.00000000	0.01761203	0.02498621	0.04847389	0.06839211	0.10084978
14	0.30715103	0.30715103	0.38592247	0.16415320	0.40448976	0.39655810	0.31776980	0.29366855	0.40527351	0.39484309	0.37275768	0.37561878	0.33623533	0.35071003
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
7	-1000000000.00000000	-0.18193667	-0.01446852	0.01055229	0.01683164	0.02440264	0.10021668
8	0.02246853	0.01352804	0.09925400	0.09633182	0.07275260	0.08628064	0.05437501	0.04581734
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
13	-1000000000.00000000	-0.18716808	-0.12207860	-0.08222336	-0.03994026	-0.02632890	-0.00766175	-0.00068853	0.00000000	0.03675886	0.05001159	0.15385129	0.29237223
14	0.34167256	0.09907729	0.09666503	0.47082662	0.50653294	0.54560586	0.51141237	0.55003625	0.50255755	0.56060382	0.52630832	0.53515863	0.50986844	0.51601096
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
14	-1000000000.00000000	-0.13948251	-0.08026067	-0.03986136	-0.02981075	-0.00927709	0.00000000	0.00218777	0.00683263	0.01692871	0.02243986	0.03610863	0.05904477	0.07972124
15	0.26417194	0.26417194	0.28277009	0.26875616	0.19291553	0.25876649	0.22305206	0.32148876	0.20072633	0.20576207	0.25279826	0.24172536	0.25710689	0.32148876	0.25740432
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
11	-1000000000.00000000	-0.13231105	-0.07616919	-0.00760490	-0.00331258	0.00000000	0.00828544	0.01754001	0.02410056	0.04374044	0.06049055
12	0.07484371	0.07484371	0.13068238	0.14228322	0.11754312	0.10411817	0.18207543	0.19550038	0.17160384	0.19423317	0.11401153	0.14706222
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
12	-1000000000.00000000	-0.11251732	-0.07615121	-0.05382232	-0.00349246	0.00000000	0.01499853	0.03107294	0.04116127	0.05338106	0.11212839	0.19801727
13	0.06753517	0.01506951	0.08776008	0.09520352	0.16088668	0.15718583	0.14581717	0.16635812	0.16389694	0.15156156	0.12045181	0.10616444	0.08850403
79	0.00000000	DIFF WITH -1 # PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000
6	0.02594542	0.00000000	0.08704832	0.11461598	0.09115117	0.05232217
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
4	-1000000000.00000000	-3.00000000	-2.00000000	2.00000000
5	0.00000000	0.00000000	0.02207221	0.02472984	0.00000000
81	0.00000000	DIFF WITH -1 # C2 PAIRS
3	-1000000000.00000000	-3.00000000	-1.00000000
4	0.00000000	0.00000000	0.04525595	0.00000000
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	2.00000000
6	0.07675807	0.03320875	0.18072551	0.26232888	0.35535411	0.38856286
83	0.00000000	DIFF WITH -1 # H2O PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.00544594	0.00544594	0.00785883	0.00000000	0.00544594
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	0.01230281	0.00000000	0.02112400	0.00000000	0.01230281
85	0.00000000	DIFF WITH -1 INTEN PAIRS
6	-1000000000.00000000	-0.08241262	-0.05784976	-0.02076913	-0.00498854	0.01959298
7	0.00000000	0.00000000	0.00255652	0.01545067	0.03633088	0.03131953	0.00000000
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
4	-1000000000.00000000	-0.03992483	-0.00739269	0.04002101
5	0.00882386	0.00000000	0.05216991	0.06676386	0.04311142
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
11	-1000000000.00000000	-0.23534168	-0.16059867	-0.08376601	-0.04443660	-0.00465069	0.00511146	0.01232021	0.04615059	0.06360955	0.26336288
12	0.25445484	0.04817168	0.08279957	0.16247435	0.28369452	0.37539594	0.32195064	0.33259264	0.40833683	0.52073381	0.45468715	0.33042602
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
4	-1000000000.00000000	-0.01433960	0.01662474	0.05116628
5	0.09343329	0.09343329	0.00000000	0.12330204	0.09343329
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
6	-1000000000.00000000	-0.04102324	-0.02160205	-0.01542075	0.00541550	0.03798398
7	0.00000000	0.00000000	0.09948953	0.02174637	0.01936100	0.04819593	0.02883492
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
9	-1000000000.00000000	-0.22301330	-0.01928908	-0.00040895	0.00582966	0.01184447	0.02767982	0.06784719	0.17198695
10	0.03893931	0.03893931	0.05313133	0.05874428	0.01980497	0.07295937	0.08389507	0.09839452	0.08733364	0.03893931
91	0.00000000	DIFF WITH +1 # PAIRS
3	-1000000000.00000000	-3.00000000	0.00000000
4	0.00000000	0.00000000	-0.01119724	0.00000000
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
3	-1000000000.00000000	-3.00000000	2.00000000
4	0.00000000	0.00000000	-0.00562936	0.00000000
93	0.00000000	DIFF WITH +1 # C2 PAIRS
5	-1000000000.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000
6	-0.03434119	-0.03434119	-0.01726662	-0.02223742	-0.00497080	-0.03434119
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
5	-1000000000.00000000	-5.00000000	-2.00000000	2.00000000	3.00000000
6	-0.03581135	-0.03581135	-0.11949655	-0.00260722	-0.03841856	-0.03581135
95	0.00000000	DIFF WITH +1 # H2O PAIRS
4	-1000000000.00000000	-3.00000000	0.00000000	2.00000000
5	0.00000000	0.00000000	-0.02752876	-0.01454237	0.00000000
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
7	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	1.00000000	2.00000000	3.00000000
8	0.00000000	0.00000000	-0.03253128	-0.04418386	-0.05890563	-0.03944639	-0.01426941	0.00000000
97	0.00000000	DIFF WITH +1 INTEN PAIRS
6	-1000000000.00000000	-0.04951114	-0.02482904	0.00127797	0.01567679	0.06346374
7	-0.03213176	-0.03213176	-0.06964782	-0.02432606	-0.03187539	-0.00754933	-0.03213176
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
9	-1000000000.00000000	-0.12123903	-0.06140960	-0.01830133	0.00000000	0.01141762	0.04709632	0.09038179	0.17557818
10	-0.11173702	-0.12581203	-0.10025970	-0.11299905	-0.10549225	-0.04852969	-0.09549148	-0.05187807	-0.07146189	-0.10619693
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
10	-1000000000.00000000	-0.05699402	-0.01340748	-0.00309466	0.00000000	0.00429392	0.02184674	0.05070182	0.06976231	0.10449466
11	-0.12759645	-0.12759645	-0.10918099	-0.09823326	-0.09003059	-0.07604769	0.00000000	-0.01338267	-0.02400661	-0.03931575	-0.12759645
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
8	-1000000000.00000000	-0.08295102	-0.02132856	-0.01049734	0.00580454	0.02063856	0.02849206	0.05462539
9	-0.03494267	-0.01049050	-0.14141301	-0.13355599	-0.13092251	-0.12353762	-0.10729293	-0.12048091	-0.09243950
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
7	-1000000000.00000000	-0.13643536	-0.04296628	0.00806910	0.02374971	0.06369808	0.16349676
8	-0.02687599	-0.02687599	-0.05374037	-0.03148906	-0.02533519	0.00000000	-0.01803044	-0.02687599
103	0.00000000	DIFF WITH +2 # PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	-0.01292344	-0.01292344	-0.00552820	0.00268319	-0.01874920
104	0.00000000	DIFF WITH +2 # STRONG PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	2.00000000
5	-0.01101964	-0.01101964	0.00000000	-0.01621174	-0.01101964
105	0.00000000	DIFF WITH +2 # C2 PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	2.00000000	3.00000000
6	-0.03455777	-0.03455777	-0.00660639	0.00301996	-0.01279601	-0.03062495
106	0.00000000	DIFF WITH +2 # STRONG C2 PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000	2.00000000
6	-0.03372851	-0.04961916	-0.01397709	0.00841178	0.00312340	-0.01680627
107	0.00000000	DIFF WITH +2 # H2O PAIRS
3	-1000000000.00000000	1.00000000	2.00000000
4	0.01665005	0.01665005	-0.00569228	0.01665005
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	3.00000000
7	-0.10053807	-0.16367109	-0.05538042	0.02901922	0.10955521	0.13718747	0.09594262
109	0.00000000	DIFF WITH +2 INTEN PAIRS
6	-1000000000.00000000	-0.07358703	-0.00726557	0.00607404	0.01618088	0.03276808
7	-0.08727528	-0.08468245	0.00538126	-0.04183593	-0.06251575	-0.06876337	-0.09227581
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.07271819	-0.03557427	-0.02530007	0.00000000
6	-0.11118374	-0.10803912	-0.09028700	-0.05809700	0.00601679	0.15182939
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
9	-1000000000.00000000	-0.20630242	-0.15060005	-0.11050893	-0.04349154	-0.01880568	-0.00198871	0.01338414	0.02403108
10	0.13834821	-0.35386316	-0.04232618	0.05391444	0.10485172	0.15966016	0.20092952	0.20962217	0.34368031	0.28896537
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
5	-1000000000.00000000	-0.02559918	-0.01342424	0.00092046	0.04054606
6	0.01633317	0.01633317	-0.01671107	-0.03243606	0.00175754	0.01881675
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
5	-1000000000.00000000	-0.06232115	-0.00353098	0.00945340	0.07983825
6	-0.02496604	0.00870765	0.00626143	-0.01256500	-0.06427749	-0.04724508
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
8	-1000000000.00000000	-0.11111718	-0.06594972	-0.02704663	0.00000000	0.04990244	0.06694364	0.17340900
9	-0.11622339	-0.15874644	-0.08414958	0.04603602	0.01743683	0.06906237	0.03922702	0.01959237	-0.03579362
115	0.00000000	DIFF +1/-1 # PAIRS
7	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
8	0.01127755	-0.05043862	0.00516642	0.01938567	0.04616776	0.02664891	0.06955016	0.08632347
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
3	-1000000000.00000000	-3.00000000	-2.00000000
4	-0.02164139	-0.06544951	-0.03362639	0.09668593
117	0.00000000	DIFF +1/-1 # C2 PAIRS
4	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000
5	-0.03307924	-0.03307924	-0.00814749	0.01035345	-0.03307924
118	0.00000000	DIFF +1/-1 # STRONG C2 PAIRS
6	-1000000000.00000000	-3.00000000	-1.00000000	2.00000000	3.00000000	4.00000000
7	-0.08141522	-0.11720934	0.09936037	0.04886014	-0.00137799	-0.00895830	-0.03880325
119	0.00000000	DIFF +1/-1 # H2O PAIRS
6	-1000000000.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
7	0.01131240	0.00000000	-0.02854114	-0.05417586	0.03698304	0.05883729	0.06654694
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
7	-1000000000.00000000	-4.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	2.00000000
8	0.02481702	-0.15507309	-0.08329649	0.12809936	0.21080418	0.25686071	0.26208720	0.22291062
121	0.00000000	DIFF +1/-1 INTEN PAIRS
4	-1000000000.00000000	-0.02040958	0.00000000	0.11102096
5	-0.00317328	-0.00317328	-0.01057971	0.00249799	-0.00317328
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
3	-1000000000.00000000	-0.05795697	0.07309151
4	-0.04356373	-0.05767167	0.00333968	-0.01564328
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
11	-1000000000.00000000	-0.25375518	-0.17553143	-0.08616458	-0.04226719	-0.00701824	0.07795449	0.14183232	0.19011350	0.25276452	0.34066260
12	-0.08201670	-0.08201670	0.06096934	0.22558347	0.29278733	0.33092426	0.36540645	0.36294829	0.30416199	0.22093060	0.13644803	-0.08201670
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
9	-1000000000.00000000	-0.09539115	-0.06499363	-0.02727739	-0.00829387	0.00112021	0.00594934	0.01649199	0.04742973
10	0.03425905	0.03425905	-0.04119661	-0.05873852	-0.01258189	-0.00931911	-0.00623989	0.01165170	-0.01711081	0.03425905
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
8	-1000000000.00000000	-0.14379680	-0.01535243	-0.00129784	0.00000000	0.01128718	0.05961433	0.08655594
9	0.04182392	0.00563439	-0.08381737	-0.04275138	-0.05967038	-0.03346660	-0.01319168	0.04456573	0.06598938
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
8	-1000000000.00000000	-0.23422037	-0.03847587	-0.01686233	-0.00910852	-0.00275323	0.15700969	0.21291977
9	-0.04597323	-0.04597323	0.01452065	0.03032043	0.00915950	0.03708702	0.03187826	0.00733243	-0.04597323
0
127
106
0	0.00000000	OFFSET FROM MEASURED M/Z
14	-1000000000.00000000	-0.99536133	-0.92864990	-0.76202393	-0.69537354	-0.59527588	-0.52862549	-0.46191406	-0.32861328	-0.19531250	-0.12866211	0.00469971	0.17132568	0.27130127
15	-0.38069231	-0.38069231	-0.05888641	0.08564938	0.18488802	0.25295439	0.28258466	0.29921800	0.32132278	0.30123508	0.19585253	0.17116413	-0.24787725	-0.36178017	-0.38069231
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
8	-1000000000.00000000	-1.02868652	-0.79528809	-0.72863770	-0.59533691	-0.32861328	-0.06195068	0.00469971
9	-0.22340483	-0.22340483	-0.17426316	-0.10811698	-0.10102478	-0.16717095	-0.17790649	-0.02064784	-0.22340483
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
3	-1000000000.00000000	-0.16204834	-0.06201172
4	0.05983954	0.05983954	0.00000000	0.05983954
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
8	-1000000000.00000000	-0.96191406	-0.39526367	-0.32861328	-0.26196289	-0.06195068	0.00469971	0.17132568
9	-0.36047520	-0.36047520	-0.08299272	-0.04511452	-0.12951259	-0.30570502	-0.26613372	-0.35726204	-0.36047520
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
5	-1000000000.00000000	-0.66198730	-0.56195068	-0.22863770	-0.19531250
6	-0.05619737	-0.05619737	-0.00773866	0.00334355	-0.02615129	-0.05619737
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
4	-1000000000.00000000	-0.76196289	-0.32861328	-0.06201172
5	0.00543338	0.00543338	0.06545364	-0.00361827	0.00543338
8	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS >4
10	-1000000000.00000000	-0.62860107	-0.46203613	-0.39526367	-0.32867432	-0.22863770	-0.19537354	-0.02868652	0.00469971	0.27136230
11	0.07289649	0.07289649	0.07818272	0.10085500	0.12060791	0.17307212	0.09939578	0.01390940	0.35604366	0.20158754	0.07289649
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
4	-1000000000.00000000	-0.99536133	-0.59539795	-0.29528809
5	-0.28740486	-0.28740486	-0.25912858	-0.05614278	-0.28740486
10	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS >=3
8	-1000000000.00000000	-0.69537354	-0.29534912	-0.19531250	-0.16198730	-0.02868652	0.00469971	0.27142334
9	-0.09003819	-0.09003819	-0.07550958	-0.22306690	-0.24185669	-0.24482213	0.12662169	0.03251931	-0.09003819
14	0.00000000	# STRONG C2 PAIRS
3	-1000000000.00000000	2.00000000	4.00000000
4	0.00000000	0.00000000	-0.01883878	0.00000000
15	0.00000000	# H2O PAIRS
3	-1000000000.00000000	1.00000000	3.00000000
4	0.01979238	-0.06055541	0.01145617	0.13707643
16	0.00000000	# C2 H2O PAIRS
5	-1000000000.00000000	0.00000000	1.00000000	4.00000000	5.00000000
6	0.01463066	0.00150933	-0.02199806	-0.00438151	0.00807269	0.01463066
17	0.00000000	INTEN PAIRS
5	-1000000000.00000000	0.00000000	0.00216043	0.00861871	0.08041447
6	0.01798242	0.01798242	0.01067324	-0.00319659	-0.01781037	0.01798242
19	0.00000000	INTEN C2 PAIRS
8	-1000000000.00000000	0.01397113	0.02869836	0.03461065	0.04849343	0.05652777	0.06544586	0.16996777
9	-0.01063575	-0.01063575	0.05728578	0.00849860	-0.01376550	-0.02498420	-0.03896622	-0.05114111	-0.01063575
20	0.00000000	INTEN STRONG C2 PAIRS
6	-1000000000.00000000	0.00789346	0.01435269	0.02646169	0.04855818	0.05596179
7	-0.01911516	-0.01911516	0.02698887	0.03024909	0.04327112	0.01694907	-0.01911516
21	0.00000000	INTEN H2O PAIRS
4	-1000000000.00000000	0.00623738	0.01319513	0.05956858
5	-0.00774216	-0.01106083	0.01934984	0.02266851	-0.00774216
22	0.00000000	INTEN C2 H2O PAIRS
8	-1000000000.00000000	0.00703676	0.01058628	0.01849281	0.03942775	0.07111016	0.08222231	0.11134012
9	-0.00947697	-0.00947697	-0.00635010	0.03639542	0.03005397	-0.01559995	-0.00322416	-0.01888948	-0.00947697
23	0.00000000	AVG OFFSET TOP (STRONG 2)
4	-1000000000.00000000	0.09722900	0.21569824	0.28173828
5	-0.01234425	-0.01234425	-0.00936004	0.00000000	-0.01234425
24	0.00000000	AVG OFFSET TOP (STRONG 3)
4	-1000000000.00000000	0.10461426	0.20420329	0.22701009
5	0.00000000	0.00000000	0.04507624	0.02480802	0.00000000
26	0.00000000	AVG OFFSET TOP (STRONG 5)
7	-1000000000.00000000	0.08980713	0.09851074	0.10729370	0.11873779	0.12428589	0.20708008
8	0.07064806	0.09234638	0.09843408	0.08554847	0.09843408	0.06657846	0.09843408	0.04474123
28	0.00000000	AVG OFFSET TOP C2 (STRONG 2)
3	-1000000000.00000000	0.20124817	0.29531860
4	0.00000000	0.00000000	0.00297819	0.00000000
29	0.00000000	AVG OFFSET TOP C2 (STRONG 3)
5	-1000000000.00000000	0.09727987	0.15966797	0.19361369	0.22033691
6	0.00000000	0.00000000	0.00326270	0.00979632	0.00352847	0.00000000
31	0.00000000	AVG OFFSET TOP C2 (STRONG 5)
5	-1000000000.00000000	0.08361816	0.09656372	0.11235352	0.11815796
6	0.04740269	0.04740269	0.01322295	0.00000000	0.01322295	0.04740269
32	0.00000000	AVG OFFSET TOP C2 (STRONG 6)
2	-1000000000.00000000	0.12552135
3	0.01304129	0.00000000	0.01690362
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
3	-1000000000.00000000	0.03828939	0.17825317
4	0.00000000	0.00000000	-0.00301791	0.00000000
35	0.00000000	MEAN OFFSET STRONG PAIRS
3	-1000000000.00000000	0.25205484	0.38680014
4	0.00323441	0.00323441	-0.01186316	0.00323441
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
4	-1000000000.00000000	0.02689005	0.11155871	0.19340007
5	0.01068214	0.01068214	0.00235227	-0.01454281	0.01068214
37	0.00000000	MEAN OFFSET C2 PAIRS
3	-1000000000.00000000	0.09397888	0.25321451
4	-0.02290420	-0.02290420	0.01608694	-0.02290420
38	0.00000000	WEIGHTED MEAN OFFSET C2 PAIRS
4	-1000000000.00000000	0.02700297	0.03463237	0.18077850
5	0.03449737	0.03449737	0.02995589	-0.03391499	0.03449737
45	0.00000000	PAIR OFFSET (STRONG 1)
8	-1000000000.00000000	0.05444336	0.06457520	0.10662842	0.14947510	0.18054199	0.21154785	0.24334717
9	0.02138730	0.02138730	0.02466866	0.03331456	0.04791377	0.00136481	0.01683664	0.04294142	0.02138730
46	0.00000000	PAIR OFFSET (STRONG 2)
6	-1000000000.00000000	0.01037598	0.13848877	0.15948486	0.19058228	0.21142578
7	0.02236560	0.02236560	0.03119615	0.01686550	0.00883056	0.03119615	0.02236560
49	0.00000000	PAIR OFFSET (STRONG 5)
4	-1000000000.00000000	0.11145020	0.12054443	0.22851563
5	0.02659290	0.04727214	0.03689879	0.04727214	0.01037334
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
7	-1000000000.00000000	0.03234863	0.04339600	0.06469727	0.09643555	0.14965820	0.22363281
8	-0.03185485	-0.02164251	-0.03388759	-0.06506463	-0.01433910	-0.02936454	-0.02623426	-0.03884197
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
8	-1000000000.00000000	0.02056885	0.04241943	0.12658691	0.17956543	0.22155762	0.23248291	0.24276733
9	0.00000000	0.00000000	0.02058151	0.05186951	0.04509476	0.03300738	0.01827573	0.00917675	0.00000000
52	0.00000000	C2 PAIR OFFSET (STRONG 3)
3	-1000000000.00000000	0.07162476	0.21960449
4	0.00296744	0.00296744	0.00000000	0.00296744
54	0.00000000	C2 PAIR OFFSET (STRONG 5)
5	-1000000000.00000000	0.06042480	0.12435913	0.15545654	0.23059082
6	-0.00597711	-0.00597711	0.00110544	0.00413161	0.00708255	-0.00597711
55	0.00000000	NUM STRICT 0
3	-1000000000.00000000	1.00000000	3.00000000
4	-0.01251245	-0.03049437	0.00064697	0.03448207
56	0.00000000	INTEN STRICT 0
2	-1000000000.00000000	0.02723305
3	-0.00923883	-0.02081507	0.01379481
57	0.00000000	NUM STRICT 1
5	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000
6	-0.16780951	-0.21825776	-0.19261619	-0.09376945	-0.02148725	0.08418117
58	0.00000000	INTEN STRICT 1
5	-1000000000.00000000	0.00000000	0.00839696	0.02590742	0.10357443
6	-0.04622897	-0.06572926	-0.00704528	0.00606015	0.04491730	0.00593413
59	0.00000000	NUM STRICT 2
5	-1000000000.00000000	1.00000000	2.00000000	3.00000000	4.00000000
6	0.05048352	-0.21651028	-0.08984782	-0.04777504	0.10370150	0.24396914
60	0.00000000	INTEN STRICT 2
7	-1000000000.00000000	0.00000000	0.00851573	0.01117465	0.02080813	0.03819726	0.04723511
8	-0.02779242	-0.09641486	-0.08929854	-0.05908141	0.02821351	0.01191446	0.03169828	0.04245098
61	0.00000000	NUM C2 STRICT 0
4	-1000000000.00000000	0.00000000	2.00000000	3.00000000
5	0.02734163	0.00992856	-0.01679009	0.02609623	0.05281488
62	0.00000000	INTEN C2 STRICT 0
8	-1000000000.00000000	0.00000000	0.00812539	0.01549172	0.02017196	0.07001340	0.08799404	0.11572214
9	-0.01062804	-0.00403791	-0.00102159	0.02130342	0.01167450	-0.02981940	-0.03284284	-0.02689076	-0.01434237
63	0.00000000	NUM C2 STRICT 1
4	-1000000000.00000000	0.00000000	1.00000000	2.00000000
5	-0.03471491	-0.11216625	-0.02432560	0.04300115	0.05486793
64	0.00000000	INTEN C2 STRICT 1
6	-1000000000.00000000	0.00000000	0.00641901	0.00992795	0.03206586	0.04940940
7	0.01907838	-0.00466511	0.02312385	0.04609342	0.02247290	0.01948647	0.03659768
65	0.00000000	NUM C2 STRICT 2
2	-1000000000.00000000	1.00000000
3	-0.00525967	-0.01203306	0.00470847
66	0.00000000	INTEN C2 STRICT 2
4	-1000000000.00000000	0.00299071	0.03030440	0.07027259
5	0.02260913	-0.00881893	0.01807739	0.01183281	0.03669881
67	0.00000000	DIFF WITH -2 # PAIRS
5	-1000000000.00000000	-2.00000000	0.00000000	1.00000000	2.00000000
6	0.04453625	0.04453625	0.09392884	0.05351166	0.02336621	0.06373814
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000	2.00000000
7	0.12635088	0.15390635	0.16528728	0.23709226	0.30135635	0.38303082	0.35976252
69	0.00000000	DIFF WITH -2 # C2 PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	1.00000000
5	0.04881318	0.04881318	0.00000000	0.02006004	0.04881318
70	0.00000000	DIFF WITH -2 # STRONG C2 PAIRS
8	-1000000000.00000000	-4.00000000	-2.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
9	0.31366757	0.03576000	0.42268365	0.51464621	0.50451894	0.50853769	0.48649455	0.48290497	0.51464621
71	0.00000000	DIFF WITH -2 # H2O PAIRS
3	-1000000000.00000000	0.00000000	1.00000000
4	0.02290791	0.02290791	0.00000000	0.02290791
72	0.00000000	DIFF WITH -2 # C2 H2O PAIRS
6	-1000000000.00000000	-3.00000000	0.00000000	1.00000000	3.00000000	4.00000000
7	0.11162723	0.02545297	0.18890358	0.20861075	0.21310011	0.18764714	0.21310011
73	0.00000000	DIFF WITH -2 INTEN PAIRS
11	-1000000000.00000000	-0.12699620	-0.05645233	-0.01579258	-0.00254028	0.00283360	0.01103972	0.01537411	0.02078577	0.02761491	0.08642440
12	0.06625091	0.04623612	0.08786182	0.17915171	0.19017632	0.20629231	0.14684759	0.15613077	0.19308370	0.16351075	0.15711215	0.08322156
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
14	-1000000000.00000000	-0.07940805	-0.03997504	-0.02117590	-0.01488602	-0.00929147	-0.00337604	0.00000000	0.01420931	0.01981426	0.02638191	0.03479879	0.06253394	0.08478236
15	0.14056004	0.14056004	0.20660973	0.17310511	0.15509946	0.10559441	0.14173071	0.14794720	0.19329649	0.20322892	0.21627003	0.17672531	0.20700243	0.21627003	0.14056004
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
13	-1000000000.00000000	-0.10783000	-0.07686792	-0.05513905	-0.02628975	-0.01630976	-0.00081456	0.00179893	0.00856981	0.03493248	0.07467247	0.11811768	0.14933985
14	0.29268850	0.14142437	0.36348798	0.35103724	0.36039653	0.29643828	0.39758820	0.42403100	0.36566967	0.35901562	0.42403100	0.40912072	0.38926401	0.38581669
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
15	-1000000000.00000000	-0.09809599	-0.06169451	-0.04512941	-0.01429973	-0.00435049	-0.00022309	0.00081872	0.01280275	0.01719327	0.02188626	0.03307413	0.05024358	0.06422806	0.08595714
16	0.12089309	0.12089309	0.15574402	0.13732713	0.19152628	0.13753089	0.15019686	0.20320923	0.17923103	0.18625304	0.16175042	0.18353498	0.20320923	0.19877754	0.15510424	0.12089309
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
12	-1000000000.00000000	-0.06430980	-0.03302127	-0.02444589	-0.01811508	0.00000000	0.00731599	0.01491966	0.01949532	0.02543541	0.05610562	0.07640593
13	0.17341858	0.14140448	0.24425095	0.21819679	0.16937679	0.20252873	0.19348924	0.17020813	0.24425095	0.20300634	0.22517565	0.21475305	0.22679345
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
15	-1000000000.00000000	-0.16194278	-0.07175149	-0.05199880	-0.01709161	0.00274299	0.00816344	0.01426785	0.02086546	0.02859187	0.04747690	0.05914446	0.07325809	0.11191314	0.14114700
16	0.21403807	0.09494628	0.11642200	0.17411836	0.16064050	0.25372254	0.23584958	0.26720040	0.22245562	0.26720040	0.26377816	0.26720040	0.25203787	0.24347962	0.21343914	0.22886758
79	0.00000000	DIFF WITH -1 # PAIRS
5	-1000000000.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
6	0.02398457	0.02398457	0.07024275	0.04625818	0.08433277	0.06319839
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000
6	0.17002416	0.00000000	0.11658077	0.17390838	0.19520010	0.25614292
81	0.00000000	DIFF WITH -1 # C2 PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000	2.00000000
7	0.01139002	0.00000000	0.07049462	0.12240178	0.07734354	0.05575016	0.02662464
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
7	-1000000000.00000000	-4.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000
8	0.13286171	0.00360754	0.02236921	0.03306271	0.02322619	0.11821746	0.12518482	0.17186545
83	0.00000000	DIFF WITH -1 # H2O PAIRS
4	-1000000000.00000000	-1.00000000	1.00000000	2.00000000
5	0.01803340	0.00631729	0.01803340	0.01171611	0.01803340
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
3	-1000000000.00000000	0.00000000	2.00000000
4	0.04485476	0.01939091	0.07257377	0.12627208
85	0.00000000	DIFF WITH -1 INTEN PAIRS
3	-1000000000.00000000	-0.09114422	0.03085581
4	0.00000000	0.00000000	0.00598898	0.00000000
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.03546716	-0.01363387	-0.00824562	0.00000000	0.02955513
7	0.04450567	0.00597735	0.04200049	0.05906750	0.05309015	0.06673796	0.06974331
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
8	-1000000000.00000000	-0.18865694	-0.05850285	-0.01274240	0.00000000	0.02555671	0.03625886	0.08695679
9	0.30792548	0.00373123	0.15448390	0.32862283	0.33279004	0.34267324	0.49317779	0.47678954	0.50391937
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
10	-1000000000.00000000	-0.07031417	-0.03055216	-0.02381966	-0.00865467	0.00000000	0.00712290	0.02127358	0.02693881	0.04272468
11	0.10806859	0.10806859	0.07847975	0.05783793	0.02769360	0.08754818	0.07435365	0.09099754	0.08796946	0.06308162	0.10806859
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
9	-1000000000.00000000	-0.02128429	-0.00381436	0.00000000	0.00878657	0.01253551	0.02234293	0.05091202	0.07080705
10	0.03083852	0.03083852	0.04153267	0.03529414	0.08117857	0.05164960	0.03549556	0.02657370	0.03932221	0.05117369
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
5	-1000000000.00000000	-0.09004536	-0.00193489	0.00916671	0.02277552
6	0.04108840	0.00301292	0.09259839	0.04199222	0.07390293	0.07044540
91	0.00000000	DIFF WITH +1 # PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.00000000	0.00000000	-0.00447025	-0.02958171	0.00000000
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
3	-1000000000.00000000	-1.00000000	1.00000000
4	0.00000000	0.00000000	-0.00318444	0.00000000
93	0.00000000	DIFF WITH +1 # C2 PAIRS
7	-1000000000.00000000	-6.00000000	-2.00000000	-1.00000000	1.00000000	2.00000000	4.00000000
8	-0.00300270	-0.00300270	-0.03155706	-0.04979089	-0.03348442	-0.01574819	0.00000000	-0.00300270
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
6	-1000000000.00000000	-5.00000000	-4.00000000	-3.00000000	-2.00000000	-1.00000000
7	-0.00619497	-0.00619497	-0.06153013	-0.05837899	-0.05533516	-0.06498438	-0.00619497
95	0.00000000	DIFF WITH +1 # H2O PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	2.00000000
5	-0.01103126	-0.00411355	0.00000000	-0.03104276	-0.01735413
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	3.00000000
5	0.00000000	0.00000000	-0.00656552	-0.02910828	0.00000000
97	0.00000000	DIFF WITH +1 INTEN PAIRS
7	-1000000000.00000000	-0.03300670	-0.01820490	-0.01334195	-0.00051279	0.00878307	0.04331238
8	-0.03992656	-0.03992656	-0.01118516	-0.04519732	-0.05840962	-0.03530256	-0.02874141	-0.03992656
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
6	-1000000000.00000000	-0.00672115	-0.00046132	0.00000000	0.01694406	0.03119175
7	-0.06195968	-0.06195968	-0.04566460	-0.03663492	0.00000000	-0.00601657	-0.06195968
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
8	-1000000000.00000000	-0.18959194	-0.10688813	-0.03080051	0.00000000	0.00664516	0.02426970	0.20884919
9	-0.12638058	-0.12638058	-0.07861769	-0.05832781	-0.06467264	-0.01141811	0.00037322	0.01579067	-0.12638058
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
5	-1000000000.00000000	-0.03581160	-0.01225920	-0.00025183	0.03251147
6	-0.04394048	-0.04394048	0.00000000	-0.00298218	-0.01850859	-0.04394048
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
4	-1000000000.00000000	-0.00494029	0.00452559	0.03810059
5	-0.01350570	-0.01350570	-0.00627869	0.00000000	-0.01350570
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
11	-1000000000.00000000	-0.24171801	-0.12338684	-0.07355489	-0.02397151	-0.01603515	0.00000000	0.01037253	0.02565010	0.03549999	0.14269048
12	-0.04559309	-0.04559309	-0.08587127	-0.09564332	-0.07107602	-0.08709421	-0.09121075	-0.10835439	-0.05326388	-0.04452203	-0.02126018	-0.04559309
103	0.00000000	DIFF WITH +2 # PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000
6	-0.02856065	-0.00344897	0.00742319	0.02103416	0.01432945	-0.05422210
105	0.00000000	DIFF WITH +2 # C2 PAIRS
5	-1000000000.00000000	-4.00000000	-1.00000000	0.00000000	3.00000000
6	-0.05846195	-0.11239404	-0.00163957	-0.01918167	0.02517429	0.03262457
106	0.00000000	DIFF WITH +2 # STRONG C2 PAIRS
4	-1000000000.00000000	-3.00000000	-1.00000000	3.00000000
5	0.01069242	-0.04707508	0.02125767	0.03157830	0.02843436
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000
6	-0.03294123	-0.05590641	-0.03329409	0.00004727	0.01666680	0.02737884
109	0.00000000	DIFF WITH +2 INTEN PAIRS
4	-1000000000.00000000	-0.08078130	0.00090242	0.01397689
5	-0.01504879	-0.01504879	-0.00307693	0.00000000	-0.01504879
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.07898764	-0.01115727	0.02497415	0.05975330
6	-0.03045670	-0.03045670	-0.02747365	0.01018674	-0.01087818	-0.03045670
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
11	-1000000000.00000000	-0.17871766	-0.13684897	-0.10687993	-0.08235858	-0.06305704	-0.03360712	-0.00359536	0.01862724	0.10255456	0.17669418
12	0.12353347	-0.37381115	-0.36748564	-0.04790948	-0.01302195	0.03226105	0.21213066	0.23331861	0.22681633	0.34054027	0.35149841	0.30723981
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
7	-1000000000.00000000	-0.12503867	-0.05940613	-0.01313020	-0.00037060	0.00000000	0.04489323
8	0.00333753	-0.02157532	-0.04507136	-0.05142173	-0.05439020	-0.02947735	0.00036906	0.00333753
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
8	-1000000000.00000000	-0.11061619	-0.03987069	-0.03033990	-0.01292016	-0.00086979	0.02919810	0.03868338
9	-0.11021908	-0.11021908	0.00649797	-0.01107548	-0.03266691	-0.05178340	-0.09212305	-0.09507820	-0.11021908
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
5	-1000000000.00000000	-0.08296254	-0.01319366	-0.00607183	0.03843078
6	0.07462130	-0.05340884	0.03768705	0.12470777	0.10610154	0.09560699
115	0.00000000	DIFF +1/-1 # PAIRS
4	-1000000000.00000000	-3.00000000	-1.00000000	1.00000000
5	0.02165137	-0.02043110	0.03750754	0.04278890	0.04969401
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
7	0.01309142	-0.09316521	-0.01835109	-0.01108341	0.05376300	0.06314755	0.16481034
117	0.00000000	DIFF +1/-1 # C2 PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	0.00000000	4.00000000	5.00000000
7	-0.02877447	-0.02877447	0.08227050	0.09730920	0.10540301	0.04643586	-0.02877447
118	0.00000000	DIFF +1/-1 # STRONG C2 PAIRS
9	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
10	-0.05419762	-0.05419762	0.00337438	0.08366641	0.11549330	0.13689369	0.15666569	0.12629193	-0.00900791	-0.05419762
119	0.00000000	DIFF +1/-1 # H2O PAIRS
5	-1000000000.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
6	-0.01652891	-0.04172026	-0.03483823	-0.01836293	0.03975292	0.06478391
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
6	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
7	0.02622317	-0.03702634	0.02027736	0.05682399	0.07950400	0.09472621	0.07235407
121	0.00000000	DIFF +1/-1 INTEN PAIRS
5	-1000000000.00000000	-0.06774546	0.00895294	0.01861084	0.08454040
6	-0.02547751	-0.02547751	0.04205400	0.02336727	-0.00796992	-0.02547751
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.09245283	-0.00237619	0.00655582	0.03281955
6	-0.01127681	-0.01127681	0.00739896	-0.01837777	0.01045726	-0.01127681
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
10	-1000000000.00000000	-0.20987232	-0.15327364	-0.08527634	-0.06321102	-0.04568817	-0.03135919	0.10279960	0.16735306	0.27494612
11	-0.07787925	-0.07787925	-0.05709274	0.16313410	0.22228669	0.33929483	0.30461040	0.25569589	0.24113185	0.12412371	-0.07787925
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
7	-1000000000.00000000	-0.03137726	-0.02452881	0.01117144	0.02068794	0.03238001	0.08673556
8	0.05204767	0.05204767	0.03976287	0.02412352	0.04637336	-0.01101013	0.00203380	0.05204767
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
7	-1000000000.00000000	-0.11016165	-0.03827900	-0.02884003	0.00155328	0.00943572	0.07308783
8	0.06329625	0.03632389	-0.01076254	0.03488620	0.04143226	0.07163965	0.05043283	0.06329625
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
11	-1000000000.00000000	-0.13500072	-0.09795694	-0.02775445	-0.01851016	-0.00373017	0.01814313	0.03541622	0.05899875	0.14594114	0.19071083
12	-0.02061252	-0.08383809	-0.00349259	0.05286774	0.07510495	0.12311054	0.11329693	0.13513772	0.16368544	0.13925199	0.10254461	0.08030740
0
127
108
0	0.00000000	OFFSET FROM MEASURED M/Z
10	-1000000000.00000000	-1.06225586	-0.96228027	-0.72900391	-0.66235352	-0.36230469	-0.29559326	0.03778076	0.13763428	0.23767090
11	-0.31476432	-0.31476432	-0.01505085	0.11347867	0.16184546	0.18645093	0.19004776	0.12034134	-0.00818818	-0.13124926	-0.31476432
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
3	-1000000000.00000000	-0.99560547	-0.92895508
4	-0.04119989	-0.04119989	0.00000000	-0.04119989
2	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=4
3	-1000000000.00000000	-0.92901611	-0.86230469
4	-0.01238994	-0.01238994	0.00000000	-0.01238994
3	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS >4
4	-1000000000.00000000	-0.22894287	-0.19561768	-0.06231689
5	0.04277698	0.04277698	0.02177529	0.00000000	0.04277698
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
9	-1000000000.00000000	-0.99560547	-0.89562988	-0.76232910	-0.36230469	-0.22894287	-0.16229248	0.03778076	0.23767090
10	-0.64413256	-0.64413256	-0.33676262	-0.14742449	-0.08210280	-0.06625403	-0.27055150	-0.45861632	-0.52393801	-0.64413256
5	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS >=3
6	-1000000000.00000000	-0.96221924	-0.79559326	-0.66235352	-0.49560547	-0.22900391
7	-0.08550493	-0.08550493	-0.04138007	-0.00647302	-0.00257617	0.00836764	-0.08550493
6	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=2
7	-1000000000.00000000	-0.99566650	-0.69561768	-0.46228027	-0.36236572	0.27105713	0.37109375
8	-0.00325108	-0.00325108	0.01514820	0.02728467	-0.00683333	-0.01417953	-0.00710954	-0.00325108
8	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS >4
7	-1000000000.00000000	-0.42901611	-0.36230469	-0.32891846	-0.16229248	0.00439453	0.27105713
8	0.00053184	0.00053184	0.00904836	0.02859810	0.00054785	0.03972041	0.01256002	0.00053184
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
7	-1000000000.00000000	-0.99560547	-0.79559326	-0.59564209	-0.32897949	-0.09564209	-0.02899170
8	-0.10974039	-0.10974039	-0.07215988	-0.02449924	0.08524114	-0.02449924	-0.05234792	-0.10974039
10	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS >=3
8	-1000000000.00000000	-0.96228027	-0.52899170	-0.39562988	-0.36230469	-0.32891846	-0.16229248	-0.06225586
9	-0.01052697	-0.01052697	0.01661828	0.04254977	0.05323083	0.07898980	-0.09877338	-0.04794673	-0.01052697
14	0.00000000	# STRONG C2 PAIRS
5	-1000000000.00000000	0.00000000	1.00000000	3.00000000	5.00000000
6	0.04045763	0.04045763	-0.03177292	0.01647625	0.02405933	0.04045763
15	0.00000000	# H2O PAIRS
3	-1000000000.00000000	1.00000000	2.00000000
4	0.00000000	0.00000000	-0.00786544	0.00000000
16	0.00000000	# C2 H2O PAIRS
3	-1000000000.00000000	0.00000000	2.00000000
4	0.00000000	0.00000000	-0.03348518	0.00000000
17	0.00000000	INTEN PAIRS
5	-1000000000.00000000	0.01707855	0.03149765	0.04986775	0.07186484
6	0.01889654	0.01889654	0.00277027	-0.02574305	0.01090753	0.01889654
19	0.00000000	INTEN C2 PAIRS
10	-1000000000.00000000	0.00529164	0.01793686	0.02751702	0.05105704	0.06656409	0.07596294	0.08643677	0.15702216	0.24103788
11	0.03194841	0.03194841	0.05610987	0.05248816	0.03243604	0.03598437	0.02820584	0.01983370	0.01176728	-0.03519598	0.03194841
20	0.00000000	INTEN STRONG C2 PAIRS
3	-1000000000.00000000	0.03001113	0.04160111
4	-0.00594702	0.01298237	-0.00082482	-0.02198646
21	0.00000000	INTEN H2O PAIRS
7	-1000000000.00000000	0.00000000	0.00767160	0.01867833	0.03366019	0.05398710	0.08191016
8	-0.01777292	-0.03768149	-0.04679826	-0.05046842	-0.02237794	0.02979545	0.02570779	-0.00472332
22	0.00000000	INTEN C2 H2O PAIRS
6	-1000000000.00000000	0.01417945	0.02659887	0.05463333	0.08061399	0.14938325
7	-0.01553787	-0.01553787	0.02296272	-0.02666979	-0.03053784	-0.03409105	-0.01553787
24	0.00000000	AVG OFFSET TOP (STRONG 3)
4	-1000000000.00000000	0.07969157	0.18296306	0.25335693
5	0.01060932	0.01060932	0.02302116	0.00000000	0.01060932
26	0.00000000	AVG OFFSET TOP (STRONG 5)
3	-1000000000.00000000	0.17480469	0.18071289
4	0.04184684	0.04184684	0.00000000	0.04184684
28	0.00000000	AVG OFFSET TOP C2 (STRONG 2)
4	-1000000000.00000000	0.14819336	0.23190308	0.24865723
5	0.00577624	0.00577624	0.02613594	-0.02171522	0.00577624
29	0.00000000	AVG OFFSET TOP C2 (STRONG 3)
3	-1000000000.00000000	0.08355713	0.15535481
4	0.00345171	0.00345171	0.00000000	0.00345171
30	0.00000000	AVG OFFSET TOP C2 (STRONG 4)
3	-1000000000.00000000	0.15065002	0.19584656
4	0.01629950	0.00000000	0.01754527	0.05690244
31	0.00000000	AVG OFFSET TOP C2 (STRONG 5)
2	-1000000000.00000000	0.13577881
3	0.02257533	0.00000000	0.03282897
34	0.00000000	WEIGHTED MEAN OFFSET PAIRS
3	-1000000000.00000000	0.02078247	0.19490559
4	0.00373506	0.00373506	-0.00912018	0.00373506
35	0.00000000	MEAN OFFSET STRONG PAIRS
4	-1000000000.00000000	0.18833415	0.38452148	0.41548666
5	-0.02268593	-0.02268593	0.01487517	-0.03711502	-0.02268593
36	0.00000000	WEIGHTED MEAN OFFSET STRONG PAIRS
3	-1000000000.00000000	0.02864583	0.20774333
4	0.00413326	0.00413326	-0.00814790	0.00413326
37	0.00000000	MEAN OFFSET C2 PAIRS
7	-1000000000.00000000	0.07051595	0.10352580	0.18976848	0.22501628	0.24302165	0.25964355
8	-0.03711742	-0.03711742	-0.02764054	0.00419004	0.04636788	0.03498148	-0.00968498	-0.03711742
38	0.00000000	WEIGHTED MEAN OFFSET C2 PAIRS
4	-1000000000.00000000	0.04270223	0.05889215	0.19422404
5	0.02248711	0.02248711	-0.00754244	0.01119172	0.02248711
45	0.00000000	PAIR OFFSET (STRONG 1)
5	-1000000000.00000000	0.07550049	0.08630371	0.17041016	0.20166016
6	0.00974740	-0.01648510	0.01478677	0.03625801	0.04019673	0.02339204
46	0.00000000	PAIR OFFSET (STRONG 2)
3	-1000000000.00000000	0.08367920	0.14868164
4	-0.00365376	-0.00365376	0.00000000	-0.00365376
47	0.00000000	PAIR OFFSET (STRONG 3)
4	-1000000000.00000000	0.01049805	0.06250000	0.18872070
5	0.00021300	0.00021300	-0.01845305	0.00405012	0.00021300
48	0.00000000	PAIR OFFSET (STRONG 4)
3	-1000000000.00000000	0.15673828	0.22045898
4	0.01046565	0.01046565	0.00000000	0.01046565
49	0.00000000	PAIR OFFSET (STRONG 5)
3	-1000000000.00000000	0.19940186	0.21936035
4	0.04585234	0.04585234	0.00000000	0.04585234
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
5	-1000000000.00000000	0.03222656	0.13870239	0.20172119	0.23345947
6	0.02113946	0.02603880	0.03264178	0.03659072	-0.00394893	0.00797136
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
7	-1000000000.00000000	0.02142334	0.04260254	0.05346680	0.10644531	0.15869141	0.19073486
8	0.03137107	0.03137107	0.02408092	0.00631993	0.00984066	0.00352073	0.00877770	0.03137107
52	0.00000000	C2 PAIR OFFSET (STRONG 3)
3	-1000000000.00000000	0.03143311	0.13647461
4	0.00000000	0.00000000	-0.00726531	0.00000000
53	0.00000000	C2 PAIR OFFSET (STRONG 4)
4	-1000000000.00000000	0.10375977	0.14544678	0.24243164
5	-0.01390416	-0.01390416	-0.01754828	0.00966383	-0.01390416
54	0.00000000	C2 PAIR OFFSET (STRONG 5)
2	-1000000000.00000000	0.10351562
3	0.00000000	0.00000000	0.00426019
55	0.00000000	NUM STRICT 0
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.00397342	-0.03209388	-0.02036063	0.01577300	0.04585928
56	0.00000000	INTEN STRICT 0
4	-1000000000.00000000	0.00826323	0.01217833	0.04411241
5	-0.01200293	-0.04845440	-0.04012614	-0.00998773	0.04574478
57	0.00000000	NUM STRICT 1
4	-1000000000.00000000	0.00000000	1.00000000	2.00000000
5	-0.01125197	-0.11786844	-0.10661647	-0.02169879	0.00000000
58	0.00000000	INTEN STRICT 1
4	-1000000000.00000000	0.00000000	0.01953091	0.02840651
5	0.00276742	-0.05185579	-0.02997999	0.01406935	0.04060212
59	0.00000000	NUM STRICT 2
6	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
7	-0.00003296	-0.18662059	-0.17770001	-0.05817562	0.04801646	0.14087488	0.23125552
60	0.00000000	INTEN STRICT 2
5	-1000000000.00000000	0.00606815	0.00880200	0.02860724	0.05053459
6	-0.03433951	-0.06825245	0.00113235	0.00469523	0.01507066	0.00744579
61	0.00000000	NUM C2 STRICT 0
5	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000
6	-0.03285817	-0.04304427	-0.05020889	-0.06481079	-0.05011708	0.01469372
62	0.00000000	INTEN C2 STRICT 0
5	-1000000000.00000000	0.03269723	0.06665041	0.08220408	0.10675747
6	0.03192259	0.03192259	-0.01175268	-0.00356869	0.01985642	0.03192259
63	0.00000000	NUM C2 STRICT 1
4	-1000000000.00000000	0.00000000	1.00000000	2.00000000
5	-0.03083273	-0.04908707	-0.03929164	0.04068322	0.08151514
64	0.00000000	INTEN C2 STRICT 1
8	-1000000000.00000000	0.00000000	0.00507753	0.00796165	0.01165635	0.03914447	0.08833032	0.11555291
9	-0.04634883	-0.06507400	-0.04782505	-0.01284559	0.01666932	0.03403765	0.02243674	0.05005570	0.00698975
65	0.00000000	NUM C2 STRICT 2
2	-1000000000.00000000	1.00000000
3	-0.02050470	-0.03005583	0.00353410
66	0.00000000	INTEN C2 STRICT 2
7	-1000000000.00000000	0.00764179	0.01122917	0.01550593	0.03140229	0.07919171	0.13027698
8	-0.04221183	-0.04221183	-0.02330042	0.00768469	-0.00318266	-0.03080624	-0.02347316	-0.04221183
67	0.00000000	DIFF WITH -2 # PAIRS
7	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
8	0.07200655	0.01583302	0.05156219	0.10354957	0.13191854	0.16805421	0.16324858	0.16720592
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	2.00000000
6	0.03620428	0.00776635	0.00000000	0.04453980	0.08659902	0.05090975
69	0.00000000	DIFF WITH -2 # C2 PAIRS
7	-1000000000.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
8	0.04765349	0.03613776	0.02506422	0.04044575	0.05515740	0.03009318	0.05515740	0.04765349
70	0.00000000	DIFF WITH -2 # STRONG C2 PAIRS
9	-1000000000.00000000	-4.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
10	0.23939495	0.17300298	0.18398713	0.25415534	0.31813312	0.30783178	0.38053688	0.36661952	0.41928924	0.45891871
71	0.00000000	DIFF WITH -2 # H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.01909938	0.01909938	0.00000000	0.01514828	0.01909938
72	0.00000000	DIFF WITH -2 # C2 H2O PAIRS
6	-1000000000.00000000	-2.00000000	0.00000000	1.00000000	2.00000000	3.00000000
7	0.03814453	0.03814453	0.01708241	0.07810253	0.10675859	0.09727013	0.10675859
73	0.00000000	DIFF WITH -2 INTEN PAIRS
21	-1000000000.00000000	-0.10340148	-0.06595823	-0.04690891	-0.03490154	-0.02625856	-0.01967581	-0.01453273	-0.01043407	-0.00668601	-0.00269069	0.00000000	0.00390405	0.00757077	0.01096676	0.01490574	0.01970250	0.02556280	0.03300697	0.04205072	0.07396413
22	0.11832346	0.09639350	0.14604008	0.16797005	0.16389622	0.17628145	0.17210198	0.16472945	0.18035528	0.16934140	0.15750241	0.12685681	0.13105262	0.13463067	0.12570163	0.18035528	0.17678636	0.18035528	0.15773574	0.14296450	0.10355223	0.11832346
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
17	-1000000000.00000000	-0.10255084	-0.06411591	-0.04542444	-0.01861998	-0.01335199	-0.00864667	-0.00334004	0.00000000	0.00426433	0.01335251	0.01821420	0.02374110	0.03091476	0.04010377	0.05252988	0.07202514
18	0.49753341	0.31678417	0.32085470	0.42941997	0.39251286	0.42941997	0.38746573	0.34759370	0.31551543	0.40556585	0.36091228	0.30900149	0.42568784	0.37467383	0.43659737	0.46697897	0.50807134	0.49351129
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
18	-1000000000.00000000	-0.20227009	-0.12918244	-0.09133045	-0.06650698	-0.04820176	-0.03458041	-0.02326621	0.00434209	0.01125776	0.02706985	0.03613781	0.04688320	0.07336286	0.08996735	0.11076941	0.13682371	0.22465241
19	0.23009769	0.08832615	0.10092392	0.16513340	0.31287837	0.30484169	0.35195813	0.40132979	0.44821977	0.41742413	0.42600661	0.40065587	0.40571955	0.43646671	0.44821977	0.43372885	0.41380219	0.40382267	0.30563763
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
17	-1000000000.00000000	-0.07767359	-0.03695363	-0.02852886	-0.01672625	-0.01204406	-0.00069289	0.00000000	0.00455521	0.00788676	0.01135994	0.01866811	0.02754307	0.03314289	0.04071115	0.05099018	0.06732041
18	0.34172134	0.37305916	0.27237510	0.29120839	0.31370422	0.28906688	0.27364058	0.21603136	0.33528659	0.37305916	0.34492635	0.31367447	0.35562102	0.34219741	0.34631542	0.37305916	0.34172134	0.27961881
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
16	-1000000000.00000000	-0.08469095	-0.05449879	-0.03955010	-0.02959483	-0.02248847	-0.01268584	-0.00904418	-0.00165271	0.00735062	0.01059834	0.01410405	0.01808088	0.02935417	0.03750345	0.06476224
17	0.20319753	0.20319753	0.20755000	0.19379241	0.14578290	0.11306303	0.18175537	0.21371493	0.19428796	0.21371493	0.19680671	0.17746533	0.18907540	0.21019118	0.15280472	0.16691273	0.20936246
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
17	-1000000000.00000000	-0.14327313	-0.09251112	-0.06539355	-0.04824781	-0.00355485	0.00000000	0.00380882	0.00920167	0.02187680	0.02930715	0.03741348	0.05755734	0.07015908	0.08595962	0.10473641	0.16970363
18	0.28821751	0.24669150	0.21987027	0.23082211	0.36240711	0.30791777	0.32369133	0.40393312	0.35473469	0.38162854	0.30379940	0.39972596	0.35955476	0.36786269	0.37992302	0.30626033	0.32845260	0.28821751
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
3	-1000000000.00000000	-3.00000000	0.00000000
4	0.00000000	0.00000000	0.03285054	0.10001483
81	0.00000000	DIFF WITH -1 # C2 PAIRS
4	-1000000000.00000000	-1.00000000	2.00000000	4.00000000
5	0.00367591	0.00367591	0.00000000	0.02887112	0.03700801
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
6	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	1.00000000	2.00000000
7	0.12978720	0.00000000	0.01902692	0.05307431	0.11152418	0.18065633	0.18890028
83	0.00000000	DIFF WITH -1 # H2O PAIRS
3	-1000000000.00000000	-2.00000000	1.00000000
4	0.00000000	0.00000000	0.01823426	0.00000000
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
5	-1000000000.00000000	-4.00000000	-2.00000000	-1.00000000	1.00000000
6	0.04592326	0.00400447	0.01116321	0.05420035	0.04303714	0.09577387
85	0.00000000	DIFF WITH -1 INTEN PAIRS
5	-1000000000.00000000	-0.07401855	-0.03129121	0.00869027	0.02216883
6	0.00000000	0.00000000	0.02566025	0.02977984	0.01517991	0.00411959
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
8	-1000000000.00000000	-0.05217204	-0.03926993	-0.02970687	-0.01690361	-0.00772349	0.01530736	0.03652265
9	0.03539658	0.01472879	0.01985599	0.06901701	0.07655831	0.06182952	0.06912574	0.07655831	0.03539658
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
13	-1000000000.00000000	-0.23770988	-0.11524080	-0.08792379	-0.05196291	-0.01970225	0.00000000	0.00402978	0.02628475	0.04784611	0.06200681	0.10275427	0.18929514
14	0.17904480	0.17087344	0.17980803	0.22489542	0.29872193	0.35085383	0.37770754	0.38550875	0.39446431	0.45547968	0.53911400	0.56534094	0.62312361	0.63825709
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
6	-1000000000.00000000	-0.00730977	-0.00393141	0.00350265	0.01021061	0.02834598
7	0.06908767	0.06908767	0.01535972	0.00000000	0.08731591	0.07970375	0.07378676
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
4	-1000000000.00000000	-0.00439262	0.01220605	0.03488927
5	0.05077024	0.02287670	0.00000000	0.04672166	0.05077024
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
12	-1000000000.00000000	-0.11139302	-0.08157887	-0.01932597	0.00520769	0.01066053	0.01651307	0.02320313	0.03084259	0.05005333	0.08031175	0.13930215
13	0.06469116	0.04329679	0.08738925	0.09713455	0.10574605	0.20170245	0.19305563	0.14647145	0.13519957	0.12692870	0.17812006	0.19113494	0.18354133
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
3	-1000000000.00000000	-3.00000000	-2.00000000
4	-0.05528620	-0.05528620	0.00000000	-0.05528620
93	0.00000000	DIFF WITH +1 # C2 PAIRS
6	-1000000000.00000000	-1.00000000	0.00000000	2.00000000	3.00000000	4.00000000
7	-0.00366447	-0.00366447	0.00000000	-0.01634285	-0.02396935	-0.01200969	-0.00366447
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
3	-1000000000.00000000	-4.00000000	2.00000000
4	-0.00751731	-0.00751731	0.00000000	-0.00751731
95	0.00000000	DIFF WITH +1 # H2O PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000
6	0.00000000	0.00000000	-0.01175164	-0.02407777	-0.01588120	-0.00355507
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	3.00000000
4	0.00000000	0.00000000	-0.02041122	0.00000000
97	0.00000000	DIFF WITH +1 INTEN PAIRS
5	-1000000000.00000000	-0.10460526	-0.02234244	0.00000000	0.01272641
6	-0.03765905	-0.03765905	-0.01712824	-0.00751832	0.00000000	-0.03765905
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.10369490	-0.02097401	0.01137463	0.06630015
6	-0.02977993	-0.02977993	-0.01305205	0.00000000	-0.00471613	-0.02977993
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
10	-1000000000.00000000	-0.21074092	-0.11655946	-0.06883447	-0.02831917	0.00069708	0.03441485	0.10086003	0.13342115	0.18203139
11	-0.15901040	-0.15901040	-0.12297543	-0.03756862	-0.02319539	-0.03438261	-0.03077744	-0.01118722	-0.03691289	-0.11021583	-0.15901040
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
8	-1000000000.00000000	-0.09324107	-0.04553956	-0.02290998	-0.01388861	0.00000000	0.01243223	0.02706249
9	-0.05377598	-0.00350496	-0.02792960	-0.02442464	-0.04707702	-0.09207753	-0.10955152	-0.08856410	-0.09206274
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
3	-1000000000.00000000	-0.04440873	0.04444745
4	-0.00731835	-0.00731835	0.00000000	-0.00731835
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
11	-1000000000.00000000	-0.21463181	-0.03125702	-0.02308945	-0.01590015	-0.00943183	0.00000000	0.01750243	0.04471496	0.05752779	0.13070169
12	-0.06523271	-0.06523271	-0.03984301	-0.02891221	-0.04819611	-0.06576493	-0.08520609	-0.05734793	-0.04513420	-0.06618338	-0.07404640	-0.06523271
103	0.00000000	DIFF WITH +2 # PAIRS
7	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
8	-0.05740831	-0.04100321	0.00416226	-0.03808945	-0.02024685	-0.07321164	-0.07674948	-0.06872531
105	0.00000000	DIFF WITH +2 # C2 PAIRS
4	-1000000000.00000000	-5.00000000	-1.00000000	3.00000000
5	-0.00617043	-0.02311685	-0.01963176	-0.01046368	0.01265317
106	0.00000000	DIFF WITH +2 # STRONG C2 PAIRS
5	-1000000000.00000000	-4.00000000	-1.00000000	3.00000000	4.00000000
6	-0.06683239	-0.12997789	0.08764933	0.10727037	0.02138396	0.01393023
107	0.00000000	DIFF WITH +2 # H2O PAIRS
5	-1000000000.00000000	-3.00000000	-1.00000000	1.00000000	2.00000000
6	0.00516675	0.00516675	-0.01761949	-0.01407044	-0.03075265	0.00516675
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	0.00000000	3.00000000
6	-0.02841737	-0.05481319	0.00093722	0.02004943	0.01636286	0.00681535
109	0.00000000	DIFF WITH +2 INTEN PAIRS
6	-1000000000.00000000	-0.01133108	0.00000000	0.00275777	0.02384536	0.04000201
7	-0.04952276	-0.04468456	-0.03719245	-0.01639733	0.00742560	-0.03398433	-0.04952276
110	0.00000000	DIFF WITH +2 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.03449186	-0.00447831	0.00785964	0.02912236
6	-0.03928094	-0.03928094	0.00364831	-0.05663709	-0.02403587	-0.03928094
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
13	-1000000000.00000000	-0.14813888	-0.11472958	-0.08976474	-0.05545183	-0.00332722	0.00221021	0.01957191	0.03008002	0.05581710	0.09344276	0.15502903	0.20819797
14	-0.33000903	-0.49454832	-0.15459457	-0.10278898	0.12106906	0.15129670	0.07550115	0.29930583	0.28824863	0.27268519	0.28464462	0.26796594	0.21827133	0.12801783
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
7	-1000000000.00000000	-0.09341414	-0.03647091	-0.00386969	0.00624703	0.01414930	0.03572093
8	0.01732621	0.01732621	-0.01662960	-0.05333102	-0.01482660	-0.00416534	0.01366740	0.01732621
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
5	-1000000000.00000000	-0.02636328	-0.00116946	0.00804283	0.04463456
6	-0.02193570	0.01116156	-0.00744500	-0.03711083	-0.04456302	-0.04827240
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
7	-1000000000.00000000	-0.11787253	-0.09324988	-0.07506938	-0.03702641	0.00000000	0.14780377
8	0.02372820	-0.12880432	-0.11718051	-0.07353260	-0.00817238	0.06481711	0.07312132	0.06935863
115	0.00000000	DIFF +1/-1 # PAIRS
3	-1000000000.00000000	-2.00000000	-1.00000000
4	0.02187646	-0.02032245	0.02731084	0.06090701
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
3	-1000000000.00000000	-3.00000000	0.00000000
4	-0.02340326	-0.07366891	0.01549740	0.05209156
117	0.00000000	DIFF +1/-1 # C2 PAIRS
8	-1000000000.00000000	-4.00000000	-3.00000000	-1.00000000	0.00000000	1.00000000	4.00000000	5.00000000
9	-0.02283304	-0.02283304	-0.01110783	-0.00744431	0.01275793	0.02817077	0.01278204	-0.00742020	-0.02283304
118	0.00000000	DIFF +1/-1 # STRONG C2 PAIRS
8	-1000000000.00000000	-4.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000	3.00000000	4.00000000
9	-0.06843137	-0.09253907	0.04871965	0.12905789	0.19611635	0.20719863	0.19091197	0.10336951	-0.05492403
119	0.00000000	DIFF +1/-1 # H2O PAIRS
4	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000
5	0.02498369	-0.00820728	-0.00472581	-0.00121421	0.03197676
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
7	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	4.00000000
8	-0.02985535	-0.02985535	-0.02212467	0.00241293	0.05643798	0.09360851	0.10358293	0.06134022
121	0.00000000	DIFF +1/-1 INTEN PAIRS
9	-1000000000.00000000	-0.04186000	-0.02438529	-0.01847713	-0.01365521	-0.00613054	0.01700574	0.02254461	0.05121246
10	0.02596868	0.00731479	0.01651132	0.00433552	0.02298941	0.01939658	0.01471612	0.01831172	0.04361905	0.02596868
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.05352001	-0.04023346	0.00627661	0.06868471
6	-0.03640166	-0.04572444	-0.03648404	0.03588899	0.00394820	-0.02182001
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
17	-1000000000.00000000	-0.26097870	-0.17909732	-0.13266587	-0.10156440	-0.04370509	-0.03081577	-0.01949389	-0.00185521	0.01177646	0.02082234	0.03073687	0.05551754	0.08908737	0.14058375	0.17891887	0.23453838
18	-0.10310041	-0.10310041	-0.08479098	0.07414307	0.18301633	0.24591217	0.21913253	0.18408131	0.30120007	0.29742010	0.31966949	0.33592815	0.34828955	0.34461104	0.24900671	0.22171000	0.10459124	-0.10310041
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
10	-1000000000.00000000	-0.04285813	-0.02632811	-0.02067326	-0.01605092	-0.01177878	-0.00066837	0.00943520	0.02597420	0.04919847
11	0.02244807	0.00872519	0.01233131	-0.00516588	-0.01090112	-0.01903803	-0.02292919	0.00767349	0.01768421	0.01407810	0.02610616
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
7	-1000000000.00000000	-0.02575585	-0.01959175	-0.00761237	0.00584009	0.01670484	0.04607419
8	-0.04097999	-0.05493217	0.01618678	0.01995988	0.00362088	0.02423648	0.02867046	0.04467230
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
11	-1000000000.00000000	-0.12416396	-0.06816256	-0.05166537	-0.02799297	-0.01892773	0.02568625	0.04377855	0.10427840	0.13065201	0.16973166
12	-0.05747230	-0.08929512	-0.04353577	0.01732659	0.07773815	0.14851914	0.11783787	0.13511089	0.14813512	0.12161176	0.08267896	-0.01438468
0
127
94
0	0.00000000	OFFSET FROM MEASURED M/Z
10	-1000000000.00000000	-1.06042480	-0.99365234	-0.82702637	-0.46032715	-0.39367676	-0.26037598	-0.12695313	-0.06030273	0.03967285
11	-0.12497481	-0.12497481	0.02900804	0.37018214	0.38727767	0.38347723	0.36726346	0.24727936	0.21485995	0.18042109	-0.12497481
1	0.00000000	OFFSET FROM MEASURED M/Z, NUM PAIRS <=2
7	-1000000000.00000000	-0.92700195	-0.72692871	-0.32702637	-0.19372559	-0.06030273	0.20642090
8	-0.13669229	-0.13669229	-0.06024647	-0.02638587	-0.10283169	-0.07644582	-0.08739583	-0.12125643
4	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG PAIRS <3
6	-1000000000.00000000	-1.09362793	-0.99365234	-0.52697754	-0.19372559	0.33972168
7	-0.42392919	-0.42392919	-0.40832486	-0.00284219	0.00426019	-0.24989409	-0.42392919
7	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS <=4
3	-1000000000.00000000	-1.02697754	-0.09362793
4	0.00000000	0.00000000	0.02277359	0.00000000
8	0.00000000	OFFSET FROM MEASURED M/Z, NUM C2 PAIRS >4
3	-1000000000.00000000	-0.86035156	-0.16033936
4	0.00368676	0.00368676	-0.02307201	0.00368676
9	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS <3
7	-1000000000.00000000	-0.79370117	-0.59375000	-0.46032715	-0.29357910	-0.02709961	0.13964844
8	-0.13293094	-0.17354124	-0.02494781	0.00752751	0.00035190	-0.07306919	-0.10278419	-0.12671427
10	0.00000000	OFFSET FROM MEASURED M/Z, NUM STRONG C2 PAIRS >=3
3	-1000000000.00000000	-0.69372559	-0.29357910
4	-0.01268195	-0.01268195	0.00000000	-0.01268195
14	0.00000000	# STRONG C2 PAIRS
3	-1000000000.00000000	0.00000000	1.00000000
4	0.01244106	0.01244106	-0.01243317	0.01244106
18	0.00000000	INTEN STRONG PAIRS
3	-1000000000.00000000	0.00936212	0.02359689
4	-0.00384298	-0.00384298	0.00684078	-0.00384298
19	0.00000000	INTEN C2 PAIRS
4	-1000000000.00000000	0.00735508	0.06645942	0.12473321
5	-0.00820990	-0.00820990	0.00642783	0.01059130	-0.00820990
20	0.00000000	INTEN STRONG C2 PAIRS
8	-1000000000.00000000	0.00000000	0.00922601	0.01124472	0.01715609	0.02124858	0.02351731	0.03536360
9	-0.02037761	-0.02037761	-0.04815790	-0.04115649	-0.02036764	0.02665007	0.02992226	-0.00223195	-0.02037761
21	0.00000000	INTEN H2O PAIRS
3	-1000000000.00000000	0.00240988	0.02492884
4	0.00330811	0.00330811	0.00000000	0.00330811
22	0.00000000	INTEN C2 H2O PAIRS
9	-1000000000.00000000	0.00481039	0.00890699	0.02032496	0.03318821	0.04881562	0.06939443	0.08878870	0.11753598
10	-0.02218501	-0.02218501	0.00733288	0.01969094	0.01638816	0.03151483	0.01709493	-0.00681596	-0.01304520	-0.02218501
28	0.00000000	AVG OFFSET TOP C2 (STRONG 2)
5	-1000000000.00000000	0.08157349	0.20111084	0.24673462	0.27825928
6	0.02579216	0.02579216	0.01127883	0.02579216	0.01451332	0.02579216
29	0.00000000	AVG OFFSET TOP C2 (STRONG 3)
3	-1000000000.00000000	0.14340210	0.23705037
4	0.00259316	-0.00812830	0.02297187	0.01961848
31	0.00000000	AVG OFFSET TOP C2 (STRONG 5)
2	-1000000000.00000000	0.14968261
3	0.00927168	0.00000000	0.01736962
33	0.00000000	MEAN OFFSET PAIRS
3	-1000000000.00000000	0.22041829	0.41178384
4	-0.00935262	-0.00935262	0.01867412	-0.00935262
35	0.00000000	MEAN OFFSET STRONG PAIRS
3	-1000000000.00000000	0.34183756	0.40454102
4	0.03123736	0.03123736	-0.03530865	0.03123736
37	0.00000000	MEAN OFFSET C2 PAIRS
6	-1000000000.00000000	0.08926392	0.13549805	0.18489583	0.23758952	0.37180582
7	-0.04968530	-0.04968530	-0.04631375	-0.03288281	0.01311620	-0.01429470	-0.04968530
38	0.00000000	WEIGHTED MEAN OFFSET C2 PAIRS
8	-1000000000.00000000	0.01566569	0.02122498	0.02642314	0.03221842	0.07889133	0.09083387	0.20257568
9	0.01751340	0.01751340	-0.00247915	-0.00603574	-0.02308909	-0.02977335	-0.04461353	-0.03042293	0.01751340
45	0.00000000	PAIR OFFSET (STRONG 1)
5	-1000000000.00000000	0.01049805	0.06433105	0.16931152	0.23156738
6	-0.00645703	-0.00645703	-0.01055190	0.00862535	0.00151155	-0.00645703
46	0.00000000	PAIR OFFSET (STRONG 2)
6	-1000000000.00000000	0.01049805	0.06445312	0.07519531	0.13854980	0.22143555
7	0.01049312	0.01049312	0.00000000	0.02338233	0.03447883	0.03133507	0.01049312
50	0.00000000	C2 PAIR OFFSET (STRONG 1)
6	-1000000000.00000000	0.03149414	0.05346680	0.09545898	0.21069336	0.23229980
7	-0.00545911	-0.02335239	-0.03153631	-0.03485115	-0.02386617	-0.00331483	0.00000000
51	0.00000000	C2 PAIR OFFSET (STRONG 2)
9	-1000000000.00000000	0.02056885	0.03088379	0.12554932	0.15750122	0.18945313	0.19958496	0.22058105	0.24255371
10	0.00115358	0.00115358	-0.00587693	-0.03782471	-0.03459229	-0.03025449	-0.01195398	0.01723264	-0.00212574	0.00115358
52	0.00000000	C2 PAIR OFFSET (STRONG 3)
7	-1000000000.00000000	0.01049805	0.08459473	0.13745117	0.15942383	0.21057129	0.23150635
8	0.04524901	0.04524901	0.03007390	-0.00361904	0.00692291	0.01945574	0.03783436	0.04524901
53	0.00000000	C2 PAIR OFFSET (STRONG 4)
3	-1000000000.00000000	0.06347656	0.17932129
4	0.00000000	0.00000000	-0.01158342	0.00000000
54	0.00000000	C2 PAIR OFFSET (STRONG 5)
4	-1000000000.00000000	0.02056885	0.17651367	0.18750000
5	0.00000000	0.00000000	-0.01846509	-0.01162861	0.00000000
56	0.00000000	INTEN STRICT 0
2	-1000000000.00000000	0.00880050
3	0.01192438	-0.00348302	0.01192438
57	0.00000000	NUM STRICT 1
2	-1000000000.00000000	1.00000000
3	-0.04163226	-0.08643090	0.00000000
58	0.00000000	INTEN STRICT 1
2	-1000000000.00000000	0.00465576
3	-0.00155164	-0.00779802	0.00624638
59	0.00000000	NUM STRICT 2
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.06320835	-0.18507106	-0.11230665	-0.04778410	0.09879835
60	0.00000000	INTEN STRICT 2
2	-1000000000.00000000	0.00542380
3	-0.04329431	-0.05639024	0.01824933
61	0.00000000	NUM C2 STRICT 0
5	-1000000000.00000000	0.00000000	1.00000000	2.00000000	3.00000000
6	0.01476862	-0.02348739	-0.05006039	-0.03220171	0.02715248	0.05672646
62	0.00000000	INTEN C2 STRICT 0
8	-1000000000.00000000	0.00500195	0.00776780	0.01782697	0.02564883	0.03561786	0.04204325	0.07303810
9	0.04878597	0.03597420	0.03943610	0.04337432	-0.01588098	-0.02328110	0.01245036	0.01662491	0.04878597
63	0.00000000	NUM C2 STRICT 1
2	-1000000000.00000000	1.00000000
3	-0.00811379	-0.01614372	0.00802993
64	0.00000000	INTEN C2 STRICT 1
10	-1000000000.00000000	0.00849753	0.01312288	0.01765822	0.02709032	0.03269845	0.03913723	0.04668639	0.06698618	0.10109191
11	0.00774783	-0.03534174	-0.02965317	-0.01840490	0.01026725	0.02979337	0.04421079	0.05176196	0.06671761	0.05618608	0.03852221
65	0.00000000	NUM C2 STRICT 2
4	-1000000000.00000000	1.00000000	2.00000000	3.00000000
5	-0.02901057	-0.07390036	-0.01263699	0.00662093	0.02115653
66	0.00000000	INTEN C2 STRICT 2
6	-1000000000.00000000	0.00000000	0.01736205	0.05376956	0.06371600	0.11202562
7	-0.02427038	-0.04950287	-0.03967082	0.00132967	0.01534334	0.03678844	-0.00285005
67	0.00000000	DIFF WITH -2 # PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.03762550	0.04502502	0.01557028	0.04502502	0.02945474
68	0.00000000	DIFF WITH -2 # STRONG PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.03530588	0.03163335	0.06262388	0.10648684	0.11924087	0.13250594
69	0.00000000	DIFF WITH -2 # C2 PAIRS
10	-1000000000.00000000	-4.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000	3.00000000	4.00000000
11	0.04775013	0.04775013	0.06447390	0.04814255	0.11230243	0.09083220	0.08468889	0.09743091	0.10357421	0.11230243	0.09557866
70	0.00000000	DIFF WITH -2 # STRONG C2 PAIRS
8	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	3.00000000	4.00000000
9	0.05473081	0.02484634	0.03858219	0.02670345	0.05323668	0.08662323	0.07365563	0.08662323	0.07022753
71	0.00000000	DIFF WITH -2 # H2O PAIRS
5	-1000000000.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000
6	0.04117999	0.03107066	0.06283415	0.04396708	0.03544468	0.06283415
72	0.00000000	DIFF WITH -2 # C2 H2O PAIRS
7	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	2.00000000
8	0.13347061	0.10818863	0.08195590	0.12238220	0.11266272	0.13316399	0.17357490	0.20109296
73	0.00000000	DIFF WITH -2 INTEN PAIRS
7	-1000000000.00000000	-0.04437695	0.00640776	0.00951926	0.01365610	0.01945791	0.02943561
8	0.05830295	0.06584310	0.09479351	0.02765149	0.02095144	0.06362700	0.07925438	0.05830295
74	0.00000000	DIFF WITH -2 INTEN STRONG PAIRS
8	-1000000000.00000000	-0.04332682	-0.02295547	-0.01411118	-0.00869835	0.00000000	0.00404638	0.01223721
9	0.16516375	0.08875850	0.09904353	0.12165643	0.11759464	0.13267252	0.04797582	0.14043473	0.18646487
75	0.00000000	DIFF WITH -2 INTEN C2 PAIRS
21	-1000000000.00000000	-0.17096469	-0.10909484	-0.07677670	-0.02802108	-0.01812957	-0.00994200	-0.00278600	0.00000000	0.00635631	0.02027798	0.02815870	0.03687772	0.04661972	0.05737485	0.06953937	0.08444849	0.10231149	0.12407160	0.15503836	0.20096260
22	0.88960058	0.41377424	0.49617467	0.74591464	0.87072069	0.95190052	0.92028624	0.93608360	0.91701723	0.91025200	0.97265022	1.03492892	1.04143733	1.10064832	1.02159376	1.12390920	1.08167290	1.08065039	1.14175472	1.15767147	1.16498235	1.08479115
76	0.00000000	DIFF WITH -2 INTEN STRONG C2 PAIRS
23	-1000000000.00000000	-0.06311356	-0.04055544	-0.03011514	-0.02310664	-0.01772548	-0.01321672	-0.00933345	-0.00585604	-0.00257516	0.00000000	0.00124968	0.00431880	0.00719216	0.01003185	0.01298480	0.01622045	0.01968311	0.02368699	0.02844401	0.03447013	0.04247454	0.05627990
24	0.39564809	0.40410109	0.51678575	0.46471204	0.45296471	0.47316630	0.51678575	0.50959660	0.46536805	0.49969630	0.42040186	0.47036311	0.45435837	0.48047830	0.49324120	0.47703194	0.51360451	0.36957479	0.42270938	0.49042348	0.45469918	0.44140216	0.44777517	0.36686860
77	0.00000000	DIFF WITH -2 INTEN H2O PAIRS
13	-1000000000.00000000	-0.03832006	-0.02171277	-0.00942625	-0.00618218	-0.00302938	0.00000000	0.00257684	0.00552390	0.00832637	0.01199854	0.01729493	0.02594402
14	0.11052402	0.10682073	0.08538730	0.08021167	0.11372730	0.10633086	0.09829749	0.10633086	0.11372730	0.08706615	0.07717394	0.11372730	0.08549879	0.11372730
78	0.00000000	DIFF WITH -2 INTEN C2 H2O PAIRS
19	-1000000000.00000000	-0.12222429	-0.05634021	-0.04147828	-0.00755485	-0.00160344	0.00000000	0.00465820	0.01020466	0.01603119	0.02214344	0.03634520	0.04491455	0.05427271	0.06579722	0.07971400	0.09694771	0.12006608	0.15384722
20	0.32528789	0.17518242	0.34387607	0.36290952	0.42146290	0.40684983	0.48335369	0.48655527	0.50283596	0.44852460	0.42498767	0.49343284	0.44603279	0.47925864	0.49204652	0.50706203	0.45120853	0.39621088	0.40148487	0.33330179
79	0.00000000	DIFF WITH -1 # PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	0.00354640	0.00000000	0.02919534	0.02594025
80	0.00000000	DIFF WITH -1 # STRONG PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.02584631	0.01242359	0.04006389	0.01955236	0.03197595
81	0.00000000	DIFF WITH -1 # C2 PAIRS
8	-1000000000.00000000	-4.00000000	-3.00000000	-1.00000000	1.00000000	2.00000000	3.00000000	4.00000000
9	0.09549003	0.02113069	0.04261124	0.02148055	0.04261074	0.09153891	0.09909701	0.10238834	0.13423348
82	0.00000000	DIFF WITH -1 # STRONG C2 PAIRS
6	-1000000000.00000000	-4.00000000	0.00000000	1.00000000	2.00000000	3.00000000
7	0.31605028	0.10884051	0.16544709	0.21039952	0.25879713	0.28086700	0.31924003
84	0.00000000	DIFF WITH -1 # C2 H2O PAIRS
3	-1000000000.00000000	-1.00000000	2.00000000
4	0.00796740	0.00796740	0.00000000	0.02994955
85	0.00000000	DIFF WITH -1 INTEN PAIRS
6	-1000000000.00000000	-0.04864341	-0.00499895	-0.00185399	0.00000000	0.01174791
7	0.03397590	0.03070666	0.05018048	0.07057887	0.02846084	0.02039838	0.08382137
86	0.00000000	DIFF WITH -1 INTEN STRONG PAIRS
3	-1000000000.00000000	-0.00628888	0.00152587
4	0.01262053	0.00000000	0.03600206	0.07800128
87	0.00000000	DIFF WITH -1 INTEN C2 PAIRS
10	-1000000000.00000000	-0.20536517	-0.07249114	-0.05566407	-0.04220672	-0.00126032	0.01993718	0.05871104	0.07362317	0.12056333
11	0.12917668	0.05123214	0.13687206	0.19301876	0.21895644	0.14664736	0.17314947	0.17885353	0.18974286	0.19830128	0.20620531
88	0.00000000	DIFF WITH -1 INTEN STRONG C2 PAIRS
11	-1000000000.00000000	-0.02066035	-0.01624792	-0.00884242	-0.00564769	-0.00256360	0.00050777	0.00922889	0.01238868	0.03011808	0.05071690
12	0.03703826	0.03703826	0.02203538	0.00712715	0.00331090	0.00000000	0.02286702	0.03836856	0.06005954	0.06656256	0.03372736	0.03703826
89	0.00000000	DIFF WITH -1 INTEN H2O PAIRS
4	-1000000000.00000000	-0.01030878	-0.00407498	0.01091780
5	0.00000000	0.00000000	0.01455868	0.02619410	0.02267533
90	0.00000000	DIFF WITH -1 INTEN C2 H2O PAIRS
7	-1000000000.00000000	-0.01653469	-0.00494677	0.00000000	0.00623019	0.06030393	0.07475769
8	0.08383436	0.01966491	0.02288259	0.00321768	0.03811531	0.04953410	0.10228928	0.12247252
92	0.00000000	DIFF WITH +1 # STRONG PAIRS
3	-1000000000.00000000	-1.00000000	0.00000000
4	-0.00760980	-0.00760980	0.00000000	-0.00760980
93	0.00000000	DIFF WITH +1 # C2 PAIRS
5	-1000000000.00000000	-3.00000000	-1.00000000	0.00000000	2.00000000
6	-0.01449437	-0.01449437	0.00000000	-0.01084525	-0.01795947	-0.01449437
94	0.00000000	DIFF WITH +1 # STRONG C2 PAIRS
4	-1000000000.00000000	-4.00000000	-1.00000000	0.00000000
5	-0.01774963	-0.02120035	-0.00345072	-0.04578122	-0.01774963
95	0.00000000	DIFF WITH +1 # H2O PAIRS
3	-1000000000.00000000	-2.00000000	1.00000000
4	0.00000000	0.00000000	-0.00821088	0.00000000
96	0.00000000	DIFF WITH +1 # C2 H2O PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	1.00000000	3.00000000
6	-0.03871247	-0.03871247	0.00000000	-0.05185191	-0.07859896	-0.03871247
97	0.00000000	DIFF WITH +1 INTEN PAIRS
3	-1000000000.00000000	0.00000000	0.01180823
4	-0.04764972	-0.04764972	0.00000000	-0.04764972
98	0.00000000	DIFF WITH +1 INTEN STRONG PAIRS
5	-1000000000.00000000	-0.01573848	-0.01034221	-0.00622028	0.00615805
6	0.00000000	0.00000000	-0.03667866	-0.01975701	-0.00820228	0.00000000
99	0.00000000	DIFF WITH +1 INTEN C2 PAIRS
7	-1000000000.00000000	-0.12906712	-0.07781233	-0.00381196	0.03009539	0.06829068	0.15749165
8	-0.10618228	-0.10943805	-0.02987146	-0.01644894	-0.02809140	-0.01164245	-0.05563052	-0.10269587
100	0.00000000	DIFF WITH +1 INTEN STRONG C2 PAIRS
8	-1000000000.00000000	-0.07850222	-0.05024529	-0.02374682	-0.01170940	-0.00271210	0.00114964	0.01373364
9	-0.04471057	-0.04471057	-0.07230810	-0.08195860	-0.08524137	-0.03371700	-0.06684905	-0.03313204	-0.04471057
101	0.00000000	DIFF WITH +1 INTEN H2O PAIRS
5	-1000000000.00000000	-0.00739964	-0.00111106	0.01559899	0.02400151
6	-0.00858883	0.00000000	-0.01829172	-0.02840538	-0.02238156	-0.01173162
102	0.00000000	DIFF WITH +1 INTEN C2 H2O PAIRS
11	-1000000000.00000000	-0.06076385	-0.04868831	-0.03864720	-0.00958628	-0.00384021	0.00000000	0.01573274	0.02289400	0.04047689	0.06698710
12	-0.02372862	-0.02372862	-0.02729590	-0.03163617	-0.06593123	-0.07932573	-0.08911517	-0.05497500	-0.07870362	-0.07529604	-0.05319373	-0.02372862
103	0.00000000	DIFF WITH +2 # PAIRS
3	-1000000000.00000000	-2.00000000	-1.00000000
4	-0.00377122	0.00000000	-0.02508302	-0.03846381
105	0.00000000	DIFF WITH +2 # C2 PAIRS
7	-1000000000.00000000	-4.00000000	-2.00000000	-1.00000000	0.00000000	1.00000000	3.00000000
8	-0.05177909	-0.05956624	0.02099843	0.00777022	-0.00074382	-0.02634217	-0.03112934	-0.05177909
106	0.00000000	DIFF WITH +2 # STRONG C2 PAIRS
4	-1000000000.00000000	-4.00000000	-3.00000000	2.00000000
5	-0.09750504	-0.12765607	-0.00935197	0.04828055	0.00941211
107	0.00000000	DIFF WITH +2 # H2O PAIRS
2	-1000000000.00000000	-1.00000000
3	0.00000000	0.00000000	-0.00706079
108	0.00000000	DIFF WITH +2 # C2 H2O PAIRS
8	-1000000000.00000000	-4.00000000	-3.00000000	-2.00000000	0.00000000	1.00000000	2.00000000	3.00000000
9	-0.07976754	-0.07976754	-0.03354531	-0.00801510	0.01383929	0.00997341	-0.00491758	-0.01335014	-0.07148875
109	0.00000000	DIFF WITH +2 INTEN PAIRS
6	-1000000000.00000000	-0.02519779	-0.00102697	0.00243010	0.00544621	0.01789984
7	-0.06717446	-0.06717446	0.00000000	-0.06729015	-0.06043439	-0.04889250	-0.06717446
111	0.00000000	DIFF WITH +2 INTEN C2 PAIRS
16	-1000000000.00000000	-0.24591345	-0.16890495	-0.12815148	-0.10122424	-0.08058733	-0.05011227	-0.01816002	-0.00987394	0.00181614	0.00971174	0.02774474	0.03841347	0.10470958	0.13523602	0.17985648
17	-0.08756119	-0.42601357	-0.23404899	-0.14811703	-0.06693512	0.05828279	0.13018538	0.18914703	0.26902867	0.21314536	0.22507124	0.26674166	0.26347095	0.27132443	0.24407275	0.19802891	0.10451474
112	0.00000000	DIFF WITH +2 INTEN STRONG C2 PAIRS
7	-1000000000.00000000	-0.05087368	-0.01575456	-0.00284733	0.00000000	0.01492497	0.03793203
8	-0.00371774	-0.00371774	-0.05672881	-0.04623317	-0.06836240	-0.04109710	-0.00739461	-0.00371774
113	0.00000000	DIFF WITH +2 INTEN H2O PAIRS
5	-1000000000.00000000	-0.02370757	-0.00098182	0.00000000	0.01070356
6	-0.00661917	-0.00661917	-0.03951582	-0.06273688	0.00000000	-0.00661917
114	0.00000000	DIFF WITH +2 INTEN C2 H2O PAIRS
8	-1000000000.00000000	-0.19762397	-0.13862298	-0.10666078	-0.05484533	-0.00513547	0.00000000	0.05788385
9	-0.02628087	-0.10045685	-0.05626839	-0.03541661	0.00550993	0.01843119	0.00823251	0.03039385	0.03745876
115	0.00000000	DIFF +1/-1 # PAIRS
2	-1000000000.00000000	-2.00000000
3	-0.00121809	-0.00484416	0.01227772
116	0.00000000	DIFF +1/-1 # STRONG PAIRS
2	-1000000000.00000000	-2.00000000
3	0.00402357	0.00000000	0.01463313
117	0.00000000	DIFF +1/-1 # C2 PAIRS
4	-1000000000.00000000	-4.00000000	-3.00000000	4.00000000
5	-0.01071007	-0.02498394	-0.00116529	0.04165055	0.02919338
118	0.00000000	DIFF +1/-1 # STRONG C2 PAIRS
8	-1000000000.00000000	-3.00000000	-2.00000000	-1.00000000	0.00000000	2.00000000	3.00000000	4.00000000
9	-0.04459685	-0.04459685	0.02940611	0.14443151	0.20896696	0.17741841	0.16095344	0.11126848	-0.04459685
119	0.00000000	DIFF +1/-1 # H2O PAIRS
4	-1000000000.00000000	-1.00000000	0.00000000	1.00000000
5	0.02192869	-0.00783550	0.00782488	0.02538401	0.02192869
120	0.00000000	DIFF +1/-1 # C2 H2O PAIRS
5	-1000000000.00000000	-3.00000000	-2.00000000	1.00000000	2.00000000
6	0.02335476	-0.01213074	0.00448558	0.04242367	0.07941372	0.07175814
121	0.00000000	DIFF +1/-1 INTEN PAIRS
5	-1000000000.00000000	-0.04983402	0.00523936	0.00815809	0.02698622
6	-0.02160072	-0.05108456	-0.04779456	-0.01479558	0.00680514	-0.01581320
122	0.00000000	DIFF +1/-1 INTEN STRONG PAIRS
3	-1000000000.00000000	-0.00176453	0.00204582
4	0.00320585	0.00320585	-0.00347778	0.00320585
123	0.00000000	DIFF +1/-1 INTEN C2 PAIRS
13	-1000000000.00000000	-0.15336801	-0.11349523	-0.08664812	-0.06615404	-0.02541050	0.00436629	0.02955580	0.03977642	0.06444109	0.12272650	0.15348135	0.20060290
14	-0.09424555	-0.11816575	-0.05210494	0.04233616	0.14364729	0.19975437	0.27232915	0.28581369	0.30396061	0.31052209	0.31906793	0.24937334	0.21056153	-0.00738358
124	0.00000000	DIFF +1/-1 INTEN STRONG C2 PAIRS
11	-1000000000.00000000	-0.07240162	-0.03449569	-0.02114577	-0.00580221	-0.00263222	0.00000000	0.00800806	0.02180892	0.02642410	0.05355549
12	0.11260846	0.11260846	0.05472872	0.02950238	-0.00867971	-0.02717340	-0.04803918	0.04462052	0.04131507	0.04962015	0.06677459	0.11260846
125	0.00000000	DIFF +1/-1 INTEN H2O PAIRS
4	-1000000000.00000000	-0.02373822	0.00000000	0.00157276
5	-0.00292071	-0.01368515	-0.00292071	0.02166501	0.05344672
126	0.00000000	DIFF +1/-1 INTEN C2 H2O PAIRS
10	-1000000000.00000000	-0.07665359	-0.04410238	-0.00234607	0.00000000	0.00557849	0.01171845	0.01814946	0.07683866	0.15088516
11	0.11781424	-0.03959517	0.01833866	0.10274799	0.09010836	0.18743327	0.17658872	0.16079133	0.20737566	0.20361300	0.11781424
