pytim/data/methanol.gro
Generated by trjconv : water carbon tetrachloride mixture t= 3011.84009
12000
1MeOH Me1 1 0.977 4.168 10.282 0.6587 -0.2013 0.1196
1MeOH O2 2 1.009 4.134 10.428 0.3161 0.2976 0.3130
1MeOH H3 3 0.983 4.039 10.445 0.3593 0.3290 0.5530
2MeOH Me1 4 3.022 1.238 0.108 0.4876 -0.0753 0.3652
2MeOH O2 5 3.091 1.354 0.181 -0.1758 0.4782 0.0972
2MeOH H3 6 3.158 1.394 0.119 1.6982 -1.1522 0.9769
3MeOH Me1 7 3.844 1.681 9.516 -0.3412 -0.2791 -0.4993
3MeOH O2 8 3.705 1.641 9.565 -0.0650 0.2348 0.7606
3MeOH H3 9 3.709 1.624 9.663 0.8892 -0.3127 0.6374
4MeOH Me1 10 2.187 0.514 29.674 0.1329 -0.1985 -0.0658
4MeOH O2 11 2.161 0.575 29.812 0.5189 0.2290 -0.1812
4MeOH H3 12 2.186 0.672 29.809 0.6729 0.1805 -0.5025
5MeOH Me1 13 3.732 0.010 3.961 -0.3352 0.0723 -0.2968
5MeOH O2 14 3.784 0.153 3.971 -0.4472 0.0852 -0.0170
5MeOH H3 15 3.738 0.209 3.902 -0.4112 0.1680 0.0254
6MeOH Me1 16 4.749 4.050 2.892 -0.0046 -0.4611 0.1830
6MeOH O2 17 4.638 4.062 2.787 0.1967 0.0475 0.0259
6MeOH H3 18 4.675 4.109 2.707 0.3749 0.3560 0.2899
7MeOH Me1 19 1.472 1.947 7.802 0.5132 0.2231 0.3025
7MeOH O2 20 1.411 2.032 7.913 0.1613 0.3761 -0.0056
7MeOH H3 21 1.469 2.025 7.994 0.0503 0.7024 0.1024
8MeOH Me1 22 0.291 1.565 7.799 0.0818 -0.4827 -0.2691
8MeOH O2 23 0.329 1.669 7.694 -0.5604 0.2141 0.1844
8MeOH H3 24 0.411 1.638 7.646 -1.5574 -0.0827 -1.3850
9MeOH Me1 25 3.828 3.971 9.953 0.4572 0.1326 0.1854
9MeOH O2 26 3.763 4.053 9.841 0.7336 -0.0339 -0.0988
9MeOH H3 27 3.737 3.990 9.767 2.9777 0.1254 -1.0996
10MeOH Me1 28 1.097 2.612 2.813 -0.4019 0.0273 -0.0773
10MeOH O2 29 1.108 2.762 2.837 0.2403 0.0606 -0.5543
10MeOH H3 30 1.017 2.802 2.832 0.0569 0.0485 1.7024
11MeOH Me1 31 2.618 1.759 2.844 0.1750 -0.2698 -0.1413
11MeOH O2 32 2.610 1.867 2.952 -0.7450 -0.5165 0.0445
11MeOH H3 33 2.698 1.871 2.999 -0.9469 -0.2049 0.3995
12MeOH Me1 34 3.968 4.094 10.479 -0.0269 -0.0186 -0.1547
12MeOH O2 35 3.992 3.944 10.468 -0.0027 -0.0006 -0.3429
12MeOH H3 36 3.917 3.904 10.414 1.0255 0.3468 -2.1269
13MeOH Me1 37 0.131 3.014 3.899 0.0781 -0.3226 -0.3231
13MeOH O2 38 -0.019 3.018 3.870 0.0930 0.0448 -0.3528
13MeOH H3 39 -0.055 2.925 3.876 -0.3277 0.2596 0.5824
14MeOH Me1 40 1.100 3.802 10.191 0.3344 0.4816 0.8583
14MeOH O2 41 1.138 3.931 10.119 0.6644 -0.0132 0.1270
14MeOH H3 42 1.108 3.925 10.024 0.7587 -0.5202 0.1286
15MeOH Me1 43 3.490 4.910 5.597 0.1072 -0.7078 0.0264
15MeOH O2 44 3.640 4.938 5.586 -0.0743 0.4848 0.4595
15MeOH H3 45 3.673 4.903 5.498 0.3725 1.1108 0.3605
16MeOH Me1 46 2.913 1.511 8.321 0.6365 0.1271 -0.5957
16MeOH O2 47 3.058 1.541 8.358 0.4377 -0.1431 0.4422
16MeOH H3 48 3.059 1.608 8.432 -0.0002 2.6451 -1.8890
17MeOH Me1 49 3.701 0.518 4.584 -0.7535 -0.3726 -0.4999
17MeOH O2 50 3.661 0.486 4.728 -0.0082 0.4401 -0.0995
17MeOH H3 51 3.581 0.425 4.726 0.1345 0.2188 0.6531
18MeOH Me1 52 1.927 4.703 4.692 0.2446 0.2695 0.0548
18MeOH O2 53 2.018 4.680 4.571 0.0215 -0.0784 -0.0497
18MeOH H3 54 2.094 4.745 4.577 -0.5960 0.7582 -1.0052
19MeOH Me1 55 4.830 1.516 6.846 0.1653 0.7976 -0.2197
19MeOH O2 56 4.679 1.494 6.832 0.2482 -0.0368 0.1824
19MeOH H3 57 4.633 1.548 6.902 -0.0144 2.1983 -1.6236
20MeOH Me1 58 2.338 3.823 2.034 0.1309 0.0396 -0.0823
20MeOH O2 59 2.282 3.927 2.130 -0.0035 -0.1657 0.0633
20MeOH H3 60 2.318 3.909 2.222 -0.1069 -0.3424 0.0682
21MeOH Me1 61 0.134 0.869 6.616 -0.4280 0.7477 0.5283
21MeOH O2 62 0.234 0.980 6.648 0.7727 -0.2905 0.4647
21MeOH H3 63 0.282 0.957 6.733 0.7745 -0.9160 0.2943
22MeOH Me1 64 2.060 2.917 0.433 -0.0199 -0.2023 -0.3354
22MeOH O2 65 1.913 2.890 0.397 -0.0419 -0.1514 -0.2900
22MeOH H3 66 1.876 2.972 0.354 -0.7385 0.7744 1.9074
23MeOH Me1 67 3.716 2.929 5.544 -0.1731 0.1965 0.1305
23MeOH O2 68 3.812 2.924 5.424 -0.0957 0.1950 0.1928
23MeOH H3 69 3.860 2.837 5.426 0.0761 0.2931 0.3585
24MeOH Me1 70 2.691 3.765 1.998 0.1976 -0.1663 -0.5320
24MeOH O2 71 2.748 3.831 2.124 -0.1054 0.0202 -0.4905
24MeOH H3 72 2.722 3.927 2.124 -0.6035 -0.1086 -0.3993
25MeOH Me1 73 2.905 2.715 3.809 -0.1544 -0.2591 -0.0537
25MeOH O2 74 3.031 2.645 3.860 0.1382 0.0486 -0.3530
25MeOH H3 75 3.091 2.713 3.903 -0.5643 -0.0297 0.7712
26MeOH Me1 76 4.493 4.483 9.234 -0.2285 -0.3188 0.8236
26MeOH O2 77 4.429 4.597 9.156 0.4500 -0.7832 -0.4282
26MeOH H3 78 4.339 4.617 9.196 -0.5257 -1.4500 -2.1700
27MeOH Me1 79 3.345 4.323 6.071 0.0544 0.1114 0.5831
27MeOH O2 80 3.279 4.365 6.203 -0.1922 0.0977 0.4653
27MeOH H3 81 3.339 4.430 6.248 -0.6312 0.6811 0.2207
28MeOH Me1 82 4.334 3.439 8.893 0.3009 0.2590 0.1411
28MeOH O2 83 4.478 3.422 8.843 0.2766 0.3982 0.0246
28MeOH H3 84 4.492 3.327 8.817 0.8199 0.0449 1.5102
29MeOH Me1 85 1.108 4.438 0.620 -0.1477 -0.3033 0.4197
29MeOH O2 86 1.205 4.387 0.513 -0.4733 0.1606 -0.1061
29MeOH H3 87 1.239 4.465 0.461 0.3076 0.5522 0.9346
30MeOH Me1 88 4.541 3.683 0.805 0.3703 -0.4534 0.0117
30MeOH O2 89 4.527 3.579 0.693 -0.6315 -0.4017 0.0812
30MeOH H3 90 4.606 3.518 0.697 -0.4658 -0.2579 -0.8035
31MeOH Me1 91 0.839 3.600 3.474 -0.1163 0.0991 -0.2651
31MeOH O2 92 0.714 3.584 3.387 -0.3969 0.5059 0.0588
31MeOH H3 93 0.649 3.524 3.435 0.5644 -1.3526 -0.8397
32MeOH Me1 94 1.415 0.589 9.650 -0.6054 0.4499 0.0139
32MeOH O2 95 1.455 0.535 9.787 0.1465 0.5967 -0.1403
32MeOH H3 96 1.400 0.454 9.807 1.5916 -0.5055 -0.5655
33MeOH Me1 97 4.590 0.657 1.569 -0.2619 -0.0965 0.4510
33MeOH O2 98 4.465 0.570 1.584 -0.3503 -0.0103 0.2197
33MeOH H3 99 4.493 0.478 1.613 -0.4844 0.0350 0.4976
34MeOH Me1 100 0.772 2.420 1.083 0.0541 -0.5913 0.1525
34MeOH O2 101 0.744 2.359 0.946 0.1963 -0.6542 0.1515
34MeOH H3 102 0.685 2.279 0.958 -1.9083 0.7722 -0.0711
35MeOH Me1 103 1.202 0.270 5.116 -0.2122 0.2490 0.0101
35MeOH O2 104 1.144 0.214 5.246 -0.0537 0.3773 0.1385
35MeOH H3 105 1.197 0.250 5.323 2.0654 -2.0066 -0.0882
36MeOH Me1 106 0.644 4.751 8.229 -0.2505 -0.2397 -0.1932
36MeOH O2 107 0.495 4.730 8.256 -0.3498 0.5698 -0.0915
36MeOH H3 108 0.470 4.638 8.226 -0.7727 0.5448 0.3311
37MeOH Me1 109 3.489 0.761 8.486 0.1336 -0.3240 -0.4759
37MeOH O2 110 3.465 0.615 8.528 -0.1706 -0.2907 -0.5291
37MeOH H3 111 3.415 0.569 8.455 -1.0667 0.0792 -0.1611
38MeOH Me1 112 1.005 1.848 5.034 0.5223 -0.1726 -0.0511
38MeOH O2 113 0.995 1.700 5.072 0.8424 -0.0677 0.4544
38MeOH H3 114 0.903 1.682 5.106 0.0280 -0.7230 -1.9431
39MeOH Me1 115 4.453 4.925 7.217 -0.2497 0.0317 -0.3676
39MeOH O2 116 4.361 5.040 7.174 -0.3049 0.0603 -0.1466
39MeOH H3 117 4.272 5.027 7.218 0.5279 1.4656 2.1523
40MeOH Me1 118 0.648 4.262 9.077 -0.1907 -0.0080 0.5002
40MeOH O2 119 0.733 4.387 9.057 -0.0145 -0.2132 -0.0359
40MeOH H3 120 0.673 4.464 9.039 0.1582 -0.6812 -3.1521
41MeOH Me1 121 3.905 4.590 3.968 0.2886 0.3031 0.1122
41MeOH O2 122 3.846 4.524 4.092 -0.4179 0.7736 0.0314
41MeOH H3 123 3.747 4.513 4.079 -0.2995 0.4360 -0.6240
42MeOH Me1 124 0.216 2.014 7.680 0.3677 -0.2007 0.6587
42MeOH O2 125 0.338 1.941 7.735 0.4871 -0.4887 0.0171
42MeOH H3 126 0.319 1.843 7.736 -0.5392 -0.3348 1.9937
43MeOH Me1 127 1.936 3.758 2.132 0.2092 0.1366 0.1499
43MeOH O2 128 1.838 3.746 2.248 -0.2466 0.6233 -0.1797
43MeOH H3 129 1.786 3.831 2.255 1.3023 1.5349 0.6882
44MeOH Me1 130 2.583 4.911 7.345 -0.1558 -0.3877 -0.5715
44MeOH O2 131 2.513 4.840 7.462 0.0857 -0.0933 -0.2507
44MeOH H3 132 2.528 4.894 7.545 -1.1838 1.0358 -0.7142
45MeOH Me1 133 3.769 3.081 10.003 0.2022 0.1862 0.0309
45MeOH O2 134 3.764 2.962 10.099 -0.0465 -0.0376 -0.2597
45MeOH H3 135 3.684 2.907 10.077 -1.7745 1.6677 1.3734
46MeOH Me1 136 0.113 0.079 7.821 0.5008 -1.0898 -0.2919
46MeOH O2 137 0.234 0.037 7.904 0.7182 0.0985 0.0103
46MeOH H3 138 0.272 -0.046 7.865 1.4970 0.3337 0.2432
47MeOH Me1 139 1.422 0.222 1.883 -0.2021 0.0187 0.1431
47MeOH O2 140 1.281 0.180 1.922 -0.1970 -0.4272 -0.3146
47MeOH H3 141 1.217 0.252 1.893 -0.5072 -1.2562 -1.8080
48MeOH Me1 142 3.341 1.272 0.581 -0.1446 -0.1794 -0.2097
48MeOH O2 143 3.381 1.221 0.720 0.0786 0.7727 0.0908
48MeOH H3 144 3.458 1.158 0.709 0.0371 0.6696 0.3890
49MeOH Me1 145 4.254 4.352 0.477 -0.0807 -0.3120 0.2976
49MeOH O2 146 4.197 4.240 0.390 -0.0946 -0.1431 0.0858
49MeOH H3 147 4.116 4.202 0.436 -0.1105 -0.2066 0.0058
50MeOH Me1 148 4.256 3.027 1.775 0.0992 0.0376 0.8208
50MeOH O2 149 4.363 2.953 1.855 0.1200 -0.6522 0.1593
50MeOH H3 150 4.391 2.872 1.803 -0.1318 -0.3909 -0.3925
51MeOH Me1 151 3.479 0.321 8.666 0.2313 0.2716 -0.1073
51MeOH O2 152 3.516 0.448 8.743 -0.0014 0.2011 0.1251
51MeOH H3 153 3.498 0.527 8.684 -0.1627 0.2774 0.2754
52MeOH Me1 154 2.067 1.923 8.159 -0.1891 -0.0822 0.2951
52MeOH O2 155 2.011 1.800 8.087 0.3477 -0.1510 -0.0124
52MeOH H3 156 2.013 1.723 8.150 -3.5312 0.7122 1.4480
53MeOH Me1 157 4.705 3.352 2.643 0.1461 0.0391 0.2355
53MeOH O2 158 4.731 3.276 2.512 -0.3074 -0.5003 0.4562
53MeOH H3 159 4.797 3.204 2.530 -0.4234 -0.5775 0.5765
54MeOH Me1 160 1.886 3.034 29.512 0.1802 -0.8679 0.0335
54MeOH O2 161 1.986 3.010 29.624 0.0165 0.4564 0.4718
54MeOH H3 162 2.019 3.099 29.657 -1.0692 0.8963 0.4080
55MeOH Me1 163 4.484 1.242 9.207 0.0937 -0.0217 -0.5237
55MeOH O2 164 4.341 1.211 9.162 0.0770 -0.2397 -0.3298
55MeOH H3 165 4.318 1.273 9.087 -0.9130 1.3147 1.1661
56MeOH Me1 166 4.823 1.932 1.373 0.3041 -0.2978 -0.4049
56MeOH O2 167 4.855 1.966 1.227 -0.0575 0.0834 -0.3960
56MeOH H3 168 4.881 2.063 1.222 1.7751 -0.3380 0.1070
57MeOH Me1 169 4.645 2.518 29.250 0.3151 0.5226 0.2306
57MeOH O2 170 4.534 2.503 29.354 -0.2229 -0.1636 -0.4237
57MeOH H3 171 4.492 2.593 29.369 1.0218 0.1628 1.3781
58MeOH Me1 172 4.473 1.827 8.540 0.6884 -0.2441 0.2199
58MeOH O2 173 4.433 1.809 8.394 -0.6387 -0.2334 0.5694
58MeOH H3 174 4.336 1.786 8.390 -0.5838 -0.6559 1.4691
59MeOH Me1 175 1.128 2.112 30.016 0.1120 0.1545 0.1753
59MeOH O2 176 1.099 2.059 29.876 -0.4470 -0.0918 0.3824
59MeOH H3 177 1.000 2.052 29.864 -0.5421 1.2852 0.2775
60MeOH Me1 178 1.472 1.217 7.790 0.5307 0.1217 -0.0905
60MeOH O2 179 1.478 1.274 7.932 -0.0245 0.3131 -0.1328
60MeOH H3 180 1.385 1.287 7.965 -0.1611 0.5284 -0.5916
61MeOH Me1 181 0.188 4.824 8.353 0.2560 -0.0637 -0.2188
61MeOH O2 182 0.317 4.892 8.399 -0.0722 0.1486 0.3963
61MeOH H3 183 0.395 4.845 8.357 0.1931 0.4268 0.5708
62MeOH Me1 184 2.367 0.081 7.775 -0.1592 0.3898 -0.1638
62MeOH O2 185 2.474 0.045 7.878 -0.6506 -0.0377 0.2031
62MeOH H3 186 2.440 0.069 7.969 -2.2823 -3.0569 0.5047
63MeOH Me1 187 4.164 3.788 1.447 -0.3062 -0.1299 -0.1720
63MeOH O2 188 4.102 3.668 1.520 0.0501 -0.0582 0.2586
63MeOH H3 189 4.140 3.584 1.481 -0.2983 -0.1020 0.0012
64MeOH Me1 190 3.152 2.349 9.086 -0.2004 -0.7775 -0.1116
64MeOH O2 191 3.189 2.426 9.213 -0.1356 -0.6274 -0.2214
64MeOH H3 192 3.192 2.362 9.290 0.6305 -0.6720 -0.2765
65MeOH Me1 193 2.046 5.025 10.458 0.2785 -0.1415 -0.0413
65MeOH O2 194 1.935 4.921 10.450 0.4079 -0.2646 -0.2550
65MeOH H3 195 1.964 4.839 10.500 1.4424 -1.1916 -2.2633
66MeOH Me1 196 3.121 1.549 5.983 0.5246 -0.0823 -0.0164
66MeOH O2 197 3.047 1.555 5.849 0.5158 -0.0217 -0.0085
66MeOH H3 198 2.997 1.642 5.844 -1.3530 -0.9802 1.0231
67MeOH Me1 199 2.755 2.509 8.226 0.0326 0.0427 -0.1438
67MeOH O2 200 2.626 2.502 8.309 -0.0383 0.0256 -0.2542
67MeOH H3 201 2.598 2.406 8.316 -0.1529 0.0432 -0.4646
68MeOH Me1 202 1.302 0.896 3.666 -0.2898 -0.4398 -0.1598
68MeOH O2 203 1.239 0.973 3.550 -0.1548 -0.4245 -0.2239
68MeOH H3 204 1.206 1.061 3.584 -2.4980 -1.4369 0.3595
69MeOH Me1 205 2.400 1.248 10.373 -0.0814 0.0688 0.5753
69MeOH O2 206 2.490 1.353 10.309 0.1095 -0.4009 0.0661
69MeOH H3 207 2.566 1.373 10.372 0.0326 -0.1016 0.0689
70MeOH Me1 208 1.345 3.177 9.772 -0.2553 -0.6274 -0.2072
70MeOH O2 209 1.325 3.299 9.681 0.2528 -0.1962 0.2477
70MeOH H3 210 1.372 3.377 9.722 1.7068 -0.8456 -0.1069
71MeOH Me1 211 3.239 3.179 1.321 0.7015 -0.0043 -0.1284
71MeOH O2 212 3.343 3.075 1.280 0.5199 -0.1098 -0.3202
71MeOH H3 213 3.371 3.025 1.361 1.5570 0.7159 -0.1489
72MeOH Me1 214 3.339 4.354 7.260 0.2122 -0.6083 -0.2697
72MeOH O2 215 3.412 4.293 7.380 0.0883 -0.4339 -0.1054
72MeOH H3 216 3.430 4.197 7.361 -2.3051 -1.2013 1.1522
73MeOH Me1 217 3.680 4.679 7.339 0.2519 0.6173 0.3777
73MeOH O2 218 3.729 4.677 7.194 0.2941 0.0688 0.3969
73MeOH H3 219 3.744 4.582 7.167 -0.6054 -0.1033 0.4555
74MeOH Me1 220 3.270 0.697 6.220 -0.0258 -0.3326 -0.1494
74MeOH O2 221 3.412 0.713 6.164 0.0322 0.3512 0.1897
74MeOH H3 222 3.473 0.738 6.239 -0.5201 2.1299 0.0949
75MeOH Me1 223 2.679 3.325 3.366 -0.4268 -0.2430 -0.4867
75MeOH O2 224 2.592 3.304 3.490 -0.1917 -0.1916 -0.3130
75MeOH H3 225 2.523 3.235 3.469 -1.0759 0.7522 -0.5900
76MeOH Me1 226 0.349 1.505 7.419 0.0054 0.1396 -0.1298
76MeOH O2 227 0.258 1.395 7.364 0.5797 -0.1615 -0.4934
76MeOH H3 228 0.283 1.377 7.269 1.4195 -0.5114 -0.2152
77MeOH Me1 229 4.152 4.130 9.389 -0.1873 0.0847 -0.6080
77MeOH O2 230 4.296 4.123 9.339 0.1184 0.1593 0.2460
77MeOH H3 231 4.357 4.144 9.415 -0.2803 -1.2905 0.9888
78MeOH Me1 232 1.801 2.595 3.486 0.2509 0.3598 0.2449
78MeOH O2 233 1.776 2.504 3.606 -0.3610 0.0304 -0.1251
78MeOH H3 234 1.821 2.545 3.686 -0.7151 -0.2158 0.2007
79MeOH Me1 235 2.404 1.266 29.346 0.2023 -0.0104 0.1073
79MeOH O2 236 2.400 1.392 29.432 -0.4558 -0.1699 0.3197
79MeOH H3 237 2.462 1.380 29.509 -0.0454 0.1927 0.0522
80MeOH Me1 238 2.191 1.410 29.652 -0.0481 -0.0847 0.7282
80MeOH O2 239 2.205 1.382 29.802 0.5683 -0.3144 0.6295
80MeOH H3 240 2.194 1.468 29.851 1.5130 -0.2539 0.7568
81MeOH Me1 241 0.687 4.215 4.185 0.0251 0.3918 0.8109
81MeOH O2 242 0.781 4.108 4.243 0.6958 0.3804 -0.2759
81MeOH H3 243 0.829 4.147 4.321 -0.3351 -0.4172 0.7855
82MeOH Me1 244 2.273 4.670 7.660 0.5394 0.2823 0.1005
82MeOH O2 245 2.256 4.781 7.556 -0.3606 -0.0039 -0.0672
82MeOH H3 246 2.335 4.779 7.494 -1.0888 -0.4515 -1.0042
83MeOH Me1 247 2.836 0.326 10.409 0.7683 0.3731 0.5087
83MeOH O2 248 2.866 0.417 10.290 0.4142 0.2721 0.3437
83MeOH H3 249 2.898 0.505 10.325 -2.0376 1.2802 0.2826
84MeOH Me1 250 0.163 2.405 9.626 -0.1389 0.4285 -0.1556
84MeOH O2 251 0.038 2.451 9.702 0.1178 -0.2255 0.6606
84MeOH H3 252 -0.036 2.386 9.684 0.0655 -0.0892 0.3764
85MeOH Me1 253 1.003 1.400 3.961 -0.5990 -0.0394 -0.0362
85MeOH O2 254 1.011 1.345 3.818 -0.0741 -0.1336 0.0263
85MeOH H3 255 0.921 1.355 3.775 -0.0862 -0.7422 -0.0968
86MeOH Me1 256 1.216 3.046 4.356 -0.1501 -0.4395 0.4580
86MeOH O2 257 1.316 2.951 4.421 0.2376 -0.1159 0.3409
86MeOH H3 258 1.266 2.889 4.482 0.3421 -1.0912 -0.5302
87MeOH Me1 259 0.623 3.058 0.060 -0.0561 -0.2971 0.7438
87MeOH O2 260 0.626 3.211 0.056 0.1029 -0.2980 0.8016
87MeOH H3 261 0.616 3.241 -0.039 1.2260 -0.2696 0.6845
88MeOH Me1 262 0.020 4.821 6.806 0.1742 0.2189 0.3825
88MeOH O2 263 0.071 4.820 6.950 0.4806 -0.0159 0.2724
88MeOH H3 264 0.116 4.732 6.967 -0.5182 -0.5190 0.3916
89MeOH Me1 265 0.183 3.223 1.081 0.3432 -0.5274 -0.2435
89MeOH O2 266 0.092 3.144 0.986 0.3444 0.3172 -0.9582
89MeOH H3 267 0.089 3.049 1.017 -0.8429 0.3452 -0.9253
90MeOH Me1 268 1.221 1.096 1.033 0.1177 0.5050 0.4558
90MeOH O2 269 1.287 1.214 0.961 -0.4321 -0.0212 -0.9483
90MeOH H3 270 1.303 1.286 1.028 0.2066 0.4340 -1.5839
91MeOH Me1 271 4.886 4.812 29.985 0.0487 -0.1109 0.1255
91MeOH O2 272 4.756 4.731 29.991 0.1845 -0.3508 -0.1421
91MeOH H3 273 4.693 4.766 29.921 0.2455 -0.4378 -0.2422
92MeOH Me1 274 2.028 4.901 5.515 -0.0355 0.2656 -0.0733
92MeOH O2 275 1.998 5.002 5.626 0.7244 -0.1311 0.5026
92MeOH H3 276 1.980 5.091 5.584 1.8578 0.3747 1.0282
93MeOH Me1 277 3.542 1.992 5.276 0.0536 -0.3770 0.0126
93MeOH O2 278 3.622 1.956 5.150 0.2098 0.0603 -0.0128
93MeOH H3 279 3.594 1.865 5.120 -1.1013 0.8824 -1.4297
94MeOH Me1 280 2.737 4.420 6.499 0.1117 0.1095 -0.1476
94MeOH O2 281 2.836 4.316 6.444 -0.0022 -0.3456 0.4988
94MeOH H3 282 2.883 4.356 6.366 -0.1048 -0.9400 0.1210
95MeOH Me1 283 2.912 0.339 4.812 -0.1040 0.2299 -0.3367
95MeOH O2 284 3.057 0.299 4.786 -0.1698 -0.2628 0.0392
95MeOH H3 285 3.096 0.361 4.717 -0.5791 -2.0035 -1.8539
96MeOH Me1 286 0.514 4.896 5.647 -0.7534 -0.2863 -0.6608
96MeOH O2 287 0.587 4.928 5.517 0.1954 0.1812 -0.0328
96MeOH H3 288 0.654 5.000 5.534 -0.4284 0.6348 0.5628
97MeOH Me1 289 3.403 4.089 2.112 0.3061 -0.0900 -0.4036
97MeOH O2 290 3.536 4.088 2.036 -0.0075 0.2062 -0.9702
97MeOH H3 291 3.586 4.004 2.061 0.2748 0.3054 -1.1940
98MeOH Me1 292 3.674 0.890 3.839 0.0572 -0.5563 0.1573
98MeOH O2 293 3.648 0.868 3.690 0.4091 -0.6899 0.1119
98MeOH H3 294 3.559 0.824 3.679 0.6904 -1.2264 -0.0301
99MeOH Me1 295 2.734 0.612 29.487 -0.2636 0.1355 -0.0462
99MeOH O2 296 2.819 0.672 29.599 0.0008 -0.3316 0.0041
99MeOH H3 297 2.766 0.669 29.684 0.9487 -2.6378 0.6076
100MeOH Me1 298 4.863 0.542 0.393 -0.6015 0.2497 0.2330
100MeOH O2 299 4.799 0.524 0.531 -0.1504 0.0190 0.4177
100MeOH H3 300 4.855 0.571 0.599 0.2666 -0.3985 0.3676
101MeOH Me1 301 3.238 4.710 1.744 -0.6655 0.4750 -0.4815
101MeOH O2 302 3.356 4.797 1.702 0.3500 -0.7640 -0.2483
101MeOH H3 303 3.432 4.738 1.675 -0.0663 -1.5620 0.3315
102MeOH Me1 304 1.050 2.917 8.603 0.1841 0.4058 -0.0319
102MeOH O2 305 0.979 3.010 8.505 0.5393 0.8251 0.1016
102MeOH H3 306 1.020 2.999 8.415 -0.1922 0.0036 -0.1475
103MeOH Me1 307 1.097 1.648 4.551 -0.2733 0.0291 -0.1874
103MeOH O2 308 0.994 1.667 4.663 0.2008 0.3791 0.1912
103MeOH H3 309 0.991 1.583 4.717 1.4254 1.0069 1.2998
104MeOH Me1 310 3.927 4.869 1.567 -0.3209 0.1716 -0.0467
104MeOH O2 311 4.000 4.827 1.440 0.0119 -0.2772 0.3044
104MeOH H3 312 3.983 4.895 1.369 -2.8518 -2.2787 -1.1289
105MeOH Me1 313 2.534 1.441 9.623 0.3804 0.5428 -0.6879
105MeOH O2 314 2.659 1.500 9.686 0.0866 0.2181 0.2142
105MeOH H3 315 2.726 1.427 9.700 -0.0325 0.1227 0.2873
106MeOH Me1 316 2.343 3.378 8.795 0.1192 -0.0819 -0.3229
106MeOH O2 317 2.204 3.314 8.801 -0.0771 0.3896 0.2539
106MeOH H3 318 2.202 3.235 8.739 -0.0098 -0.7377 1.6401
107MeOH Me1 319 5.000 0.193 8.920 -0.4663 -0.2847 0.5272
107MeOH O2 320 4.908 0.072 8.901 -0.0522 -0.5548 0.2161
107MeOH H3 321 4.842 0.094 8.829 0.6691 -1.0750 -0.6135
108MeOH Me1 322 0.918 2.474 5.616 -0.1925 0.4890 0.2089
108MeOH O2 323 0.996 2.433 5.490 -0.3322 -0.0095 0.2840
108MeOH H3 324 0.948 2.469 5.410 0.3699 0.9760 0.2868
109MeOH Me1 325 0.987 0.719 1.767 0.1666 -0.0525 0.2527
109MeOH O2 326 0.936 0.748 1.626 -0.4168 0.1785 0.5048
109MeOH H3 327 0.960 0.671 1.567 -0.2562 0.4648 0.1921
110MeOH Me1 328 0.737 2.439 4.477 -0.2103 0.1243 0.3232
110MeOH O2 329 0.666 2.493 4.601 -0.3076 0.3979 0.1516
110MeOH H3 330 0.585 2.436 4.619 0.7541 -0.7921 1.3356
111MeOH Me1 331 4.827 1.819 9.201 -0.0266 0.2418 -0.0173
111MeOH O2 332 4.817 1.877 9.060 -0.3272 0.1502 -0.0326
111MeOH H3 333 4.844 1.807 8.994 -0.2371 0.1851 -0.0317
112MeOH Me1 334 2.691 4.423 2.901 -0.0517 -0.0708 -0.2965
112MeOH O2 335 2.586 4.312 2.889 -0.3136 0.1183 0.2205
112MeOH H3 336 2.534 4.308 2.974 0.8928 -0.5867 0.9473
113MeOH Me1 337 3.610 4.255 6.701 0.3759 0.1343 0.2378
113MeOH O2 338 3.576 4.403 6.682 -0.2252 -0.0187 0.1016
113MeOH H3 339 3.506 4.411 6.611 0.4899 -0.2960 -0.6485
114MeOH Me1 340 2.182 3.184 3.934 0.5021 -0.1501 0.0025
114MeOH O2 341 2.094 3.183 3.808 -0.0698 -0.1465 0.3971
114MeOH H3 342 2.086 3.277 3.775 1.0358 -0.3175 -0.4200
115MeOH Me1 343 4.164 0.023 6.260 -0.8159 -0.5063 0.1657
115MeOH O2 344 4.078 0.077 6.375 -0.4564 -0.0349 0.2158
115MeOH H3 345 3.985 0.044 6.363 -0.7073 0.6732 0.1317
116MeOH Me1 346 4.422 4.044 0.205 0.0603 -0.2824 0.4574
116MeOH O2 347 4.269 4.037 0.203 0.0938 -1.0672 -0.6333
116MeOH H3 348 4.234 4.094 0.277 -0.6791 -2.8248 0.4144
117MeOH Me1 349 3.645 2.673 7.808 0.4547 0.2401 1.0419
117MeOH O2 350 3.790 2.673 7.759 -0.0031 0.0126 -0.3587
117MeOH H3 351 3.835 2.592 7.796 1.0155 1.4347 1.6834
118MeOH Me1 352 0.109 3.172 5.248 -0.1805 -0.7549 0.4271
118MeOH O2 353 0.009 3.143 5.360 -0.6366 -0.2407 0.1507
118MeOH H3 354 -0.029 3.230 5.391 -0.7421 -0.0922 -0.3809
119MeOH Me1 355 3.216 2.221 2.651 -0.3272 -0.1738 -0.0319
119MeOH O2 356 3.287 2.348 2.603 -0.0546 -0.4696 -0.4229
119MeOH H3 357 3.386 2.333 2.609 -0.0250 0.2688 2.2681
120MeOH Me1 358 0.744 3.098 8.771 -0.1061 0.6337 0.1725
120MeOH O2 359 0.770 3.132 8.624 -0.3901 0.5361 0.0997
120MeOH H3 360 0.836 3.067 8.587 0.7446 1.4463 0.4624
121MeOH Me1 361 2.864 0.595 9.602 0.0102 -0.1813 0.2571
121MeOH O2 362 3.009 0.613 9.648 0.0500 0.1558 0.0003
121MeOH H3 363 3.019 0.573 9.739 0.2482 0.3867 0.0821
122MeOH Me1 364 3.171 2.030 6.917 -0.1799 -0.2115 0.3276
122MeOH O2 365 3.065 2.000 6.811 0.4893 -0.3517 -0.3124
122MeOH H3 366 3.057 2.080 6.750 1.8663 -0.9572 -1.3467
123MeOH Me1 367 2.183 3.221 29.356 0.3576 -0.2007 -0.1463
123MeOH O2 368 2.315 3.188 29.286 0.3350 -0.4414 -0.0769
123MeOH H3 369 2.348 3.271 29.241 0.2608 -0.6255 -0.4726
124MeOH Me1 370 1.618 0.624 2.729 -0.3957 -0.0733 -0.1182
124MeOH O2 371 1.702 0.498 2.754 -0.0245 0.1546 -0.2089
124MeOH H3 372 1.647 0.433 2.807 0.4493 0.2879 0.4692
125MeOH Me1 373 0.567 0.646 7.382 -0.3642 0.0262 0.4174
125MeOH O2 374 0.584 0.777 7.460 -0.0269 -0.0124 0.4117
125MeOH H3 375 0.638 0.758 7.542 -0.2307 -0.1878 0.5082
126MeOH Me1 376 3.660 4.011 2.410 -0.0547 0.1680 -0.0428
126MeOH O2 377 3.572 3.885 2.414 -0.4220 0.4396 0.6391
126MeOH H3 378 3.630 3.807 2.438 0.0180 -0.1159 -1.8845
127MeOH Me1 379 4.720 -0.038 0.837 0.3978 -0.3226 -0.1063
127MeOH O2 380 4.816 0.031 0.741 0.2238 0.4593 0.2713
127MeOH H3 381 4.785 0.125 0.727 -0.3436 0.2848 0.3395
128MeOH Me1 382 0.600 4.199 3.399 -0.3741 -0.9476 -0.1438
128MeOH O2 383 0.734 4.166 3.464 0.0779 0.4674 -0.3064
128MeOH H3 384 0.727 4.184 3.562 -1.4506 -3.5350 0.5101
129MeOH Me1 385 4.256 3.003 4.319 0.2040 0.1259 -0.2573
129MeOH O2 386 4.328 2.904 4.226 0.1169 -0.2629 0.0886
129MeOH H3 387 4.423 2.933 4.216 0.0103 -0.0756 -0.4346
130MeOH Me1 388 1.906 1.258 6.360 0.2580 0.2545 0.1438
130MeOH O2 389 1.905 1.126 6.283 -0.2486 0.0412 0.5049
130MeOH H3 390 1.816 1.083 6.294 -0.4753 0.5020 0.4809
131MeOH Me1 391 0.511 1.896 5.672 -0.4988 -0.0785 0.0394
131MeOH O2 392 0.624 1.807 5.620 -0.4434 -0.4212 0.7264
131MeOH H3 393 0.678 1.774 5.698 -0.8079 -0.3050 1.0269
132MeOH Me1 394 1.372 1.145 0.279 0.4129 -1.4365 -0.6149
132MeOH O2 395 1.491 1.190 0.194 0.5360 -0.9650 -0.1934
132MeOH H3 396 1.572 1.192 0.252 0.3398 -0.7012 0.0809
133MeOH Me1 397 4.616 1.411 7.767 -0.0972 0.0890 0.1623
133MeOH O2 398 4.464 1.416 7.754 -0.1170 -0.2384 0.2343
133MeOH H3 399 4.423 1.368 7.832 0.0174 -0.7022 0.0189
134MeOH Me1 400 0.813 2.342 7.180 -0.4018 -0.1673 0.2224
134MeOH O2 401 0.704 2.261 7.251 -0.7687 0.2030 0.0832
134MeOH H3 402 0.620 2.267 7.197 -0.9522 1.2734 0.4604
135MeOH Me1 403 4.719 0.565 2.240 -0.4217 -0.1905 0.3566
135MeOH O2 404 4.591 0.603 2.165 -0.2455 0.5781 0.4350
135MeOH H3 405 4.526 0.640 2.231 -0.7680 -1.0094 0.8560
136MeOH Me1 406 4.949 2.564 9.315 -0.1543 0.5013 0.4974
136MeOH O2 407 4.850 2.677 9.345 -0.4496 0.3202 0.2185
136MeOH H3 408 4.868 2.753 9.283 -1.4209 -0.2505 -0.7903
137MeOH Me1 409 0.048 0.324 6.072 -0.3923 0.0983 0.5189
137MeOH O2 410 0.085 0.226 6.184 0.0063 -0.4301 -0.0718
137MeOH H3 411 0.003 0.175 6.209 0.5358 -2.0825 -1.4847
138MeOH Me1 412 2.627 3.712 10.338 1.3504 -0.0019 -0.0087
138MeOH O2 413 2.589 3.684 10.483 -0.8585 -0.2639 -0.6251
138MeOH H3 414 2.670 3.692 10.540 -1.1899 -2.7553 0.3222
139MeOH Me1 415 1.395 2.283 8.450 -0.1038 0.4509 -0.4812
139MeOH O2 416 1.287 2.381 8.403 -0.1149 0.5231 -0.3091
139MeOH H3 417 1.297 2.394 8.304 -0.6532 0.0286 -0.4329
140MeOH Me1 418 3.624 3.195 6.689 0.1458 0.1278 0.3240
140MeOH O2 419 3.677 3.079 6.773 0.6563 -0.3254 -0.6069
140MeOH H3 420 3.626 3.077 6.859 0.7537 -1.1593 -0.5643
141MeOH Me1 421 3.078 3.190 2.959 0.3677 -0.9568 -0.2216
141MeOH O2 422 3.209 3.257 2.915 -0.1784 0.0888 -0.2770
141MeOH H3 423 3.215 3.251 2.815 0.1881 -0.5509 -0.2207
142MeOH Me1 424 1.384 3.442 5.899 -0.4242 0.2269 0.5219
142MeOH O2 425 1.389 3.345 6.018 0.2901 -0.0509 0.2719
142MeOH H3 426 1.446 3.267 5.993 0.7191 0.3424 -0.0007
143MeOH Me1 427 2.965 4.786 9.875 -0.6804 -0.0677 0.0777
143MeOH O2 428 2.987 4.899 9.976 0.3914 -0.1561 -0.0452
143MeOH H3 429 3.056 4.961 9.939 -0.7277 0.4392 -1.1823
144MeOH Me1 430 0.355 4.385 8.063 0.3491 -0.1058 -0.0544
144MeOH O2 431 0.416 4.479 8.168 -0.2819 0.0129 0.2068
144MeOH H3 432 0.493 4.433 8.211 -0.5808 0.0366 0.7744
145MeOH Me1 433 1.663 1.753 2.205 0.1687 0.5288 0.3767
145MeOH O2 434 1.524 1.719 2.259 0.2320 -0.7085 -0.2264
145MeOH H3 435 1.535 1.677 2.349 0.1281 1.8159 1.0391
146MeOH Me1 436 4.845 2.931 29.883 0.3067 0.3164 -0.4028
146MeOH O2 437 4.711 2.892 29.821 0.2845 -0.0744 -0.1085
146MeOH H3 438 4.710 2.793 29.807 1.9650 0.2243 -3.3458
147MeOH Me1 439 1.116 2.344 4.573 -0.8581 -0.2231 -0.1047
147MeOH O2 440 1.195 2.468 4.529 -0.9002 -0.0446 0.2702
147MeOH H3 441 1.235 2.450 4.439 0.7662 -0.5053 1.0727
148MeOH Me1 442 1.641 2.668 6.327 0.4067 -0.4354 -0.0347
148MeOH O2 443 1.511 2.592 6.352 -0.0008 0.0491 -0.6614
148MeOH H3 444 1.435 2.647 6.316 0.2388 0.9578 0.1648
149MeOH Me1 445 1.262 4.033 1.860 0.1521 0.6190 -0.6385
149MeOH O2 446 1.221 4.133 1.968 -0.2357 -0.0303 -0.1925
149MeOH H3 447 1.133 4.172 1.944 -2.5248 -3.2696 2.0512
150MeOH Me1 448 0.761 0.194 0.822 0.5510 0.0817 0.8659
150MeOH O2 449 0.743 0.338 0.870 0.0640 0.4489 -0.3593
150MeOH H3 450 0.834 0.376 0.889 -0.1520 -0.5783 3.5544
151MeOH Me1 451 0.680 3.342 9.107 -0.2764 0.6934 0.1063
151MeOH O2 452 0.594 3.289 8.992 0.3176 0.2687 -0.1434
151MeOH H3 453 0.500 3.318 9.007 -0.0972 -1.1758 0.2024
152MeOH Me1 454 4.452 2.186 8.326 -0.5442 -0.1956 0.0891
152MeOH O2 455 4.387 2.059 8.273 0.2540 -0.5339 -0.0947
152MeOH H3 456 4.423 1.981 8.324 1.1516 -0.4432 -0.5790
153MeOH Me1 457 1.198 1.954 10.829 0.1181 0.1257 -0.0915
153MeOH O2 458 1.053 1.986 10.864 0.0748 0.1734 -0.3122
153MeOH H3 459 1.049 2.079 10.902 0.2454 -0.3165 0.9333
154MeOH Me1 460 3.442 4.311 2.471 -0.4239 -0.0308 0.0615
154MeOH O2 461 3.555 4.377 2.391 -0.6757 0.5188 0.1559
154MeOH H3 462 3.514 4.438 2.323 -0.9100 0.4676 0.2494
155MeOH Me1 463 4.372 0.627 7.171 0.3229 -0.3035 0.0385
155MeOH O2 464 4.442 0.514 7.096 0.7258 0.1278 -0.2467
155MeOH H3 465 4.374 0.443 7.075 0.8339 0.2604 -1.0448
156MeOH Me1 466 3.445 0.424 6.984 -0.0243 -0.0701 -0.3257
156MeOH O2 467 3.487 0.278 6.997 0.2973 0.0251 -0.2879
156MeOH H3 468 3.474 0.249 7.092 -1.4497 -0.5265 -0.6633
157MeOH Me1 469 3.290 2.729 0.922 0.0831 0.0651 -0.3744
157MeOH O2 470 3.313 2.583 0.884 0.2203 0.0142 -0.1015
157MeOH H3 471 3.240 2.555 0.821 -0.3177 -0.4613 0.7244
158MeOH Me1 472 0.028 2.106 0.873 0.5125 -0.4494 0.3175
158MeOH O2 473 0.052 2.257 0.869 0.2112 -0.4156 -0.0666
158MeOH H3 474 0.124 2.275 0.802 0.6547 -0.4892 0.3855
159MeOH Me1 475 2.590 1.418 9.050 -0.2261 -0.1745 -0.2933
159MeOH O2 476 2.659 1.527 9.132 -0.3751 -0.0683 -0.3100
159MeOH H3 477 2.758 1.510 9.130 -0.4429 -0.6164 0.6930
160MeOH Me1 478 4.312 2.286 1.094 0.0130 -0.2959 -0.7116
160MeOH O2 479 4.195 2.205 1.151 0.3232 -0.0565 0.2859
160MeOH H3 480 4.113 2.226 1.098 0.0794 -0.4681 0.4974
161MeOH Me1 481 4.312 1.592 1.230 -0.1650 -0.2888 -0.4874
161MeOH O2 482 4.218 1.559 1.114 0.0476 0.0742 -0.7624
161MeOH H3 483 4.272 1.553 1.030 0.2381 0.0836 -0.6411
162MeOH Me1 484 1.937 4.140 2.090 -0.1069 -0.0311 0.0706
162MeOH O2 485 2.083 4.174 2.115 -0.1911 -0.1646 0.7440
162MeOH H3 486 2.135 4.089 2.123 -0.2450 -0.2172 0.5587
163MeOH Me1 487 2.942 0.805 9.312 0.3279 0.1184 0.7427
163MeOH O2 488 2.900 0.951 9.296 -0.2145 -0.1235 -0.1411
163MeOH H3 489 2.945 0.988 9.214 -0.6209 -0.5532 -0.5661
164MeOH Me1 490 3.677 1.817 8.047 0.4909 -0.4047 -0.2278
164MeOH O2 491 3.691 1.833 8.199 -0.3727 0.0147 -0.1860
164MeOH H3 492 3.765 1.774 8.230 -1.0358 -0.4519 0.5113
165MeOH Me1 493 1.339 1.924 2.461 -0.4656 -0.6536 0.2030
165MeOH O2 494 1.289 1.902 2.319 -0.4109 0.0929 0.0669
165MeOH H3 495 1.345 1.831 2.276 -0.4329 0.2641 -0.2515
166MeOH Me1 496 0.530 4.951 5.159 -0.2985 0.1640 0.1569
166MeOH O2 497 0.424 4.888 5.069 0.1711 0.1495 -0.3914
166MeOH H3 498 0.448 4.792 5.053 1.1938 0.5960 -1.7010
167MeOH Me1 499 2.750 3.799 1.011 0.4198 -0.7624 -0.0654
167MeOH O2 500 2.776 3.865 0.876 0.4891 -0.7961 -0.0653
167MeOH H3 501 2.705 3.837 0.812 -0.9174 1.1055 0.5672
168MeOH Me1 502 1.386 0.354 5.865 -0.0864 0.5648 0.0459
168MeOH O2 503 1.468 0.363 5.736 0.0392 0.2300 0.1022
168MeOH H3 504 1.528 0.443 5.742 0.7647 -0.3173 0.3758
169MeOH Me1 505 0.998 1.562 0.669 0.0346 0.0065 -0.3638
169MeOH O2 506 0.913 1.453 0.602 -0.0301 0.4901 -1.0809
169MeOH H3 507 0.866 1.493 0.523 0.1129 0.9990 -0.9102
170MeOH Me1 508 3.960 4.693 2.812 0.0084 0.2379 -0.4386
170MeOH O2 509 3.835 4.780 2.798 -0.3682 -0.2989 -0.4373
170MeOH H3 510 3.759 4.723 2.766 0.2918 -0.2997 -2.0621
171MeOH Me1 511 1.490 2.208 4.853 0.4995 -0.5075 -0.5064
171MeOH O2 512 1.585 2.176 4.970 0.1624 -0.0563 -0.1060
171MeOH H3 513 1.562 2.086 5.005 -0.9023 0.6602 1.1362
172MeOH Me1 514 -0.029 1.209 9.552 0.3366 0.0362 0.1486
172MeOH O2 515 0.052 1.081 9.575 -0.4197 -0.3695 0.6192
172MeOH H3 516 0.008 1.006 9.526 0.4436 0.2117 -1.1341
173MeOH Me1 517 2.587 2.488 9.569 -0.2448 -0.2474 0.2298
173MeOH O2 518 2.445 2.501 9.513 -0.0627 0.0947 -0.1590
173MeOH H3 519 2.393 2.563 9.571 -0.8157 -1.7120 1.1941
174MeOH Me1 520 3.093 0.216 8.118 -0.2470 0.0820 0.0745
174MeOH O2 521 3.090 0.095 8.212 -0.6666 -0.1689 -0.2593
174MeOH H3 522 2.997 0.060 8.216 -0.8445 0.3163 -0.1409
175MeOH Me1 523 4.717 0.471 4.122 0.2360 -0.0554 -0.0616
175MeOH O2 524 4.828 0.384 4.182 0.0988 -0.1180 0.0981
175MeOH H3 525 4.888 0.354 4.108 -0.6138 -1.3469 -0.0286
176MeOH Me1 526 3.043 0.830 11.246 0.3167 0.1084 -0.1110
176MeOH O2 527 3.087 0.870 11.105 -0.1686 0.5020 -0.1548
176MeOH H3 528 3.056 0.801 11.041 0.7163 0.0090 -0.0723
177MeOH Me1 529 3.381 1.582 8.779 -0.2535 -0.6010 -0.7285
177MeOH O2 530 3.524 1.575 8.833 -0.3056 0.1885 -0.4389
177MeOH H3 531 3.571 1.498 8.789 -0.7010 -1.4204 1.7823
178MeOH Me1 532 1.365 2.480 10.089 -0.8319 -0.2122 0.1104
178MeOH O2 533 1.296 2.344 10.076 -0.6669 -0.2851 0.0160
178MeOH H3 534 1.318 2.307 9.985 -0.9569 -0.0114 -0.1716
179MeOH Me1 535 0.971 1.180 8.005 -0.1745 -0.1860 -0.1789
179MeOH O2 536 0.874 1.062 7.998 -0.3695 -0.0038 -0.6483
179MeOH H3 537 0.913 0.985 8.049 0.0241 -0.6678 -1.8998
180MeOH Me1 538 1.302 1.155 7.421 0.4258 -0.2347 -0.6030
180MeOH O2 539 1.411 1.071 7.486 0.5848 0.6735 0.3188
180MeOH H3 540 1.368 0.996 7.537 0.7749 -0.6783 -1.4037
181MeOH Me1 541 1.191 1.449 8.317 -0.5868 0.3820 -1.1231
181MeOH O2 542 1.321 1.433 8.237 0.0497 -0.0094 -0.0258
181MeOH H3 543 1.317 1.493 8.158 0.1574 -1.2566 -1.0033
182MeOH Me1 544 3.658 5.028 2.628 0.3601 -0.1052 0.3862
182MeOH O2 545 3.749 4.916 2.577 0.1344 -0.1844 0.1505
182MeOH H3 546 3.791 4.871 2.656 0.8203 0.2270 0.0270
183MeOH Me1 547 2.192 3.329 6.022 0.1718 -0.4705 -0.3274
183MeOH O2 548 2.148 3.289 6.163 -0.1032 -0.0943 -0.3041
183MeOH H3 549 2.108 3.198 6.159 0.2311 -0.2531 -0.0814
184MeOH Me1 550 1.868 1.217 3.482 0.4981 0.0142 0.1825
184MeOH O2 551 1.846 1.282 3.346 0.9354 -0.5251 -0.1505
184MeOH H3 552 1.854 1.212 3.275 -0.4537 -1.1288 0.2626
185MeOH Me1 553 0.920 2.324 8.965 -0.5218 -0.2046 0.1154
185MeOH O2 554 0.888 2.314 9.114 0.0270 -0.4655 0.2110
185MeOH H3 555 0.913 2.401 9.158 2.7171 -1.4271 0.7882
186MeOH Me1 556 4.971 2.151 1.990 -0.0982 0.3688 0.7336
186MeOH O2 557 4.920 2.274 2.065 -0.3566 0.8421 -0.1983
186MeOH H3 558 4.822 2.262 2.083 -0.3059 0.7148 -0.0035
187MeOH Me1 559 4.727 0.307 0.974 0.0895 -0.2277 0.5465
187MeOH O2 560 4.592 0.373 1.002 0.0596 -0.1496 0.2302
187MeOH H3 561 4.530 0.304 1.040 -0.3124 -0.2894 -0.6057
188MeOH Me1 562 3.915 2.762 2.033 0.3618 0.4636 -0.1563
188MeOH O2 563 3.851 2.896 2.071 -0.4827 -0.1045 0.4667
188MeOH H3 564 3.923 2.956 2.105 -0.8437 0.2281 0.6452
189MeOH Me1 565 3.083 1.914 0.161 -0.2659 0.0117 -0.1756
189MeOH O2 566 3.056 2.063 0.143 0.0782 0.1517 0.4312
189MeOH H3 567 3.114 2.096 0.067 3.1168 1.1813 2.9672
190MeOH Me1 568 0.262 2.595 10.605 0.9267 -0.1460 -0.1355
190MeOH O2 569 0.234 2.724 10.683 0.1527 -0.5560 0.2689
190MeOH H3 570 0.281 2.799 10.638 1.0332 -0.3989 1.4278
191MeOH Me1 571 0.686 4.121 2.748 0.1996 0.5246 0.5695
191MeOH O2 572 0.682 3.986 2.820 -0.0595 -0.1915 -0.7663
191MeOH H3 573 0.759 3.931 2.786 1.2367 0.8672 0.3265
192MeOH Me1 574 4.343 1.722 4.302 -0.0448 -0.0169 -0.1741
192MeOH O2 575 4.465 1.814 4.296 0.2382 -0.3440 0.5060
192MeOH H3 576 4.528 1.779 4.226 0.5258 -0.5007 0.8399
193MeOH Me1 577 3.050 0.887 8.362 -0.1236 -0.1465 -0.0372
193MeOH O2 578 2.918 0.819 8.403 0.0106 -0.0540 0.5848
193MeOH H3 579 2.880 0.868 8.481 -0.3704 0.9610 -0.2125
194MeOH Me1 580 1.031 3.779 29.905 0.4610 -0.1463 0.2006
194MeOH O2 581 1.128 3.824 29.795 0.1571 0.2098 0.0806
194MeOH H3 582 1.206 3.763 29.795 -0.7175 -0.9647 -1.5827
195MeOH Me1 583 3.158 4.828 5.278 -0.5035 0.2219 -0.5243
195MeOH O2 584 3.158 4.724 5.165 -0.1773 -0.8591 0.4436
195MeOH H3 585 3.231 4.748 5.101 -0.1206 -1.3542 0.3255
196MeOH Me1 586 0.991 2.119 5.325 0.0040 0.1799 0.7872
196MeOH O2 587 0.843 2.081 5.337 -0.0420 0.1228 0.2618
196MeOH H3 588 0.836 2.001 5.397 -0.5196 2.4339 3.5758
197MeOH Me1 589 1.137 0.294 9.826 -0.0481 -0.2083 0.2042
197MeOH O2 590 1.284 0.303 9.866 -0.0453 -0.4639 0.2512
197MeOH H3 591 1.315 0.212 9.895 -0.3093 -0.4451 0.5986
198MeOH Me1 592 2.438 3.657 11.038 -0.6522 0.3076 0.2971
198MeOH O2 593 2.398 3.800 11.002 0.4074 0.5151 -0.1051
198MeOH H3 594 2.478 3.859 11.013 0.2663 0.3621 2.0514
199MeOH Me1 595 3.163 0.207 7.656 -0.1973 0.0855 0.0429
199MeOH O2 596 3.114 0.122 7.773 -0.4150 -0.3964 -0.3907
199MeOH H3 597 3.163 0.035 7.773 0.5249 0.1229 0.0791
200MeOH Me1 598 2.093 2.590 0.679 -0.2311 0.5223 -0.1156
200MeOH O2 599 2.200 2.583 0.788 -0.1740 0.3292 -0.1832
200MeOH H3 600 2.155 2.571 0.876 -0.0584 -2.6051 -0.4153
201MeOH Me1 601 3.453 0.980 7.446 0.4377 -0.0224 -0.0059
201MeOH O2 602 3.439 0.969 7.294 0.0794 0.2447 0.0064
201MeOH H3 603 3.531 0.965 7.254 0.0826 -3.3894 0.0387
202MeOH Me1 604 0.479 1.234 29.434 -0.2463 -0.1031 -0.3550
202MeOH O2 605 0.449 1.380 29.401 -0.1464 -0.1204 -0.5295
202MeOH H3 606 0.357 1.386 29.363 0.3020 -0.2569 -1.6850
203MeOH Me1 607 1.195 4.112 9.393 -0.3746 0.1173 0.0565
203MeOH O2 608 1.168 4.203 9.513 -0.5769 0.0770 0.0428
203MeOH H3 609 1.072 4.230 9.511 -0.6085 -0.0398 -0.0288
204MeOH Me1 610 3.381 1.882 1.679 -0.0459 0.0785 -0.0564
204MeOH O2 611 3.290 1.803 1.773 0.0721 -0.5798 -0.4887
204MeOH H3 612 3.237 1.737 1.718 -1.2966 0.9900 -1.1536
205MeOH Me1 613 4.540 1.613 5.471 -0.2818 0.0446 -0.3163
205MeOH O2 614 4.543 1.749 5.401 -0.3323 -0.0548 -0.5127
205MeOH H3 615 4.572 1.818 5.467 0.5971 -0.0954 -0.8605
206MeOH Me1 616 3.330 2.377 5.112 -0.1474 -0.5792 -0.5458
206MeOH O2 617 3.207 2.320 5.184 -0.1728 -0.1485 -0.2461
206MeOH H3 618 3.193 2.372 5.268 1.8488 -1.8021 1.2244
207MeOH Me1 619 1.504 0.737 7.079 0.2322 -0.2340 0.1291
207MeOH O2 620 1.394 0.634 7.051 -0.2550 0.2936 0.0746
207MeOH H3 621 1.309 0.683 7.033 0.4001 0.7916 -1.9199
208MeOH Me1 622 3.863 0.724 30.032 -0.5904 0.0105 -0.1280
208MeOH O2 623 3.854 0.615 29.925 0.0420 0.0237 -0.1989
208MeOH H3 624 3.902 0.534 29.958 0.4041 0.2413 -0.1885
209MeOH Me1 625 2.196 2.796 5.506 -0.4431 -0.1007 0.5565
209MeOH O2 626 2.083 2.703 5.462 0.1305 -0.3960 -0.3084
209MeOH H3 627 2.091 2.689 5.363 0.4976 0.1935 -0.3673
210MeOH Me1 628 1.726 0.117 5.189 0.1475 -0.5153 0.4892
210MeOH O2 629 1.815 0.009 5.125 0.0389 -0.2067 -0.1936
210MeOH H3 630 1.779 -0.080 5.151 -0.4830 -0.3527 -1.3512
211MeOH Me1 631 0.632 3.241 9.460 0.1700 -0.1844 0.2393
211MeOH O2 632 0.680 3.378 9.506 -0.4013 0.0173 0.2473
211MeOH H3 633 0.601 3.432 9.534 -0.8318 0.3384 -1.4844
212MeOH Me1 634 0.693 1.975 6.027 0.4685 -0.5828 -0.2716
212MeOH O2 635 0.816 1.885 6.040 0.5613 -0.3605 0.4924
212MeOH H3 636 0.885 1.916 5.974 0.5066 -0.8753 0.1845
213MeOH Me1 637 4.278 2.867 5.364 -0.0589 -0.2755 -0.0054
213MeOH O2 638 4.222 2.784 5.480 0.3205 -0.5072 0.0122
213MeOH H3 639 4.232 2.836 5.564 2.3670 -1.4421 0.3991
214MeOH Me1 640 2.674 0.293 7.544 0.0771 -0.2454 -0.4235
214MeOH O2 641 2.715 0.347 7.407 -0.2240 0.3554 -0.2804
214MeOH H3 642 2.637 0.337 7.344 -0.4005 0.7405 -0.1247
215MeOH Me1 643 2.182 4.736 8.972 0.1871 0.2365 -0.1953
215MeOH O2 644 2.074 4.845 8.985 0.4033 0.4406 -0.1135
215MeOH H3 645 2.103 4.910 9.055 0.1303 -0.1445 0.5522
216MeOH Me1 646 2.860 0.077 1.210 -0.2643 -0.1808 0.4115
216MeOH O2 647 3.007 0.037 1.194 -0.2460 -0.0100 -0.0237
216MeOH H3 648 3.034 -0.018 1.274 0.6627 1.8796 1.0577
217MeOH Me1 649 4.827 0.824 7.199 -0.8334 -0.4092 -0.3242
217MeOH O2 650 4.932 0.859 7.093 -0.2827 0.7027 0.5723
217MeOH H3 651 4.899 0.829 7.004 0.3069 1.3658 0.1177
218MeOH Me1 652 3.388 3.278 9.887 0.2875 1.0121 -0.6035
218MeOH O2 653 3.255 3.293 9.813 -0.2614 0.0976 0.1696
218MeOH H3 654 3.221 3.386 9.827 -0.2251 0.2336 -0.5879
219MeOH Me1 655 0.059 0.672 10.333 0.6611 0.3484 0.3402
219MeOH O2 656 0.065 0.770 10.215 0.3055 0.0516 0.0735
219MeOH H3 657 0.154 0.816 10.217 -0.0015 0.6472 0.1635
220MeOH Me1 658 4.880 2.979 0.434 -0.2223 0.2724 0.1532
220MeOH O2 659 4.729 2.956 0.428 -0.1485 -0.1788 -0.0428
220MeOH H3 660 4.686 3.037 0.388 -0.3787 -0.1310 0.2969
221MeOH Me1 661 4.226 0.566 2.317 0.1121 0.1561 -0.1117
221MeOH O2 662 4.370 0.600 2.356 0.1867 0.2938 -0.5027
221MeOH H3 663 4.383 0.578 2.453 0.3779 0.6045 -0.4555
222MeOH Me1 664 0.347 3.904 5.988 0.6493 0.3505 -0.3279
222MeOH O2 665 0.390 3.912 6.135 -0.9079 -0.4291 0.2053
222MeOH H3 666 0.451 3.991 6.145 0.1584 -1.3204 0.9558
223MeOH Me1 667 4.962 1.909 3.763 0.9381 1.0699 0.1126
223MeOH O2 668 4.991 1.937 3.910 0.2820 -0.0568 0.4703
223MeOH H3 669 4.962 2.030 3.931 -0.0743 -0.3101 1.1317
224MeOH Me1 670 2.821 4.166 2.036 -0.0461 0.4666 0.0609
224MeOH O2 671 2.715 4.099 2.124 0.0721 -0.0306 -0.1712
224MeOH H3 672 2.708 4.149 2.209 1.3260 -1.4427 0.8147
225MeOH Me1 673 3.410 2.496 8.183 -0.4790 0.2254 -0.0354
225MeOH O2 674 3.357 2.528 8.324 -0.5806 -0.1062 0.0006
225MeOH H3 675 3.393 2.617 8.352 -0.2050 -0.3926 0.4357
226MeOH Me1 676 3.669 4.313 11.154 -0.6861 -0.6453 0.0715
226MeOH O2 677 3.630 4.280 11.009 0.1184 -0.3741 -0.2141
226MeOH H3 678 3.537 4.314 10.993 -1.0075 -2.9818 0.2821
227MeOH Me1 679 4.473 4.000 3.521 -0.2382 -0.0305 0.1575
227MeOH O2 680 4.435 4.063 3.655 0.0371 0.4306 0.0231
227MeOH H3 681 4.389 3.994 3.710 -0.8516 0.9267 -0.0730
228MeOH Me1 682 3.642 2.950 1.332 0.5874 0.2483 0.2086
228MeOH O2 683 3.531 2.924 1.433 0.0181 0.4638 -0.3585
228MeOH H3 684 3.572 2.912 1.524 -0.5586 1.8278 0.1148
229MeOH Me1 685 0.063 1.247 2.905 0.6181 0.1704 -0.0996
229MeOH O2 686 0.010 1.309 2.776 0.4641 0.4091 0.0773
229MeOH H3 687 -0.027 1.236 2.719 0.1092 0.5554 0.1225
230MeOH Me1 688 0.454 2.477 7.073 0.1857 0.0791 0.2771
230MeOH O2 689 0.489 2.330 7.049 -0.6593 -0.1235 0.2591
230MeOH H3 690 0.409 2.274 7.069 -1.1319 0.3751 -0.2195
231MeOH Me1 691 4.246 2.335 10.165 0.3257 0.3055 0.0311
231MeOH O2 692 4.103 2.367 10.123 0.1626 -0.2097 0.1843
231MeOH H3 693 4.051 2.394 10.204 -0.5022 -2.6814 0.6571
232MeOH Me1 694 3.178 0.660 5.614 -0.2819 -0.5007 -0.6666
232MeOH O2 695 3.322 0.691 5.654 -0.3186 -0.1005 -0.8373
232MeOH H3 696 3.337 0.658 5.747 -0.5473 1.2315 -0.3108
233MeOH Me1 697 4.935 1.598 7.479 0.0288 0.1179 -0.3457
233MeOH O2 698 4.914 1.721 7.568 0.1402 0.2327 -0.4780
233MeOH H3 699 4.906 1.691 7.663 2.7351 0.5371 -0.0977
234MeOH Me1 700 1.436 0.741 8.580 -0.1446 0.0423 -0.2990
234MeOH O2 701 1.353 0.620 8.537 -0.0461 0.0996 -0.6515
234MeOH H3 702 1.261 0.629 8.576 0.3183 -0.7114 0.4186
235MeOH Me1 703 3.155 0.892 9.567 -0.7612 0.1839 -0.0843
235MeOH O2 704 3.214 0.757 9.610 -0.1022 0.6394 0.4018
235MeOH H3 705 3.139 0.693 9.627 0.1042 0.8591 2.5212
236MeOH Me1 706 0.496 0.712 1.802 0.1476 0.6504 -0.1156
236MeOH O2 707 0.516 0.822 1.698 0.4154 0.5272 -0.1962
236MeOH H3 708 0.595 0.878 1.725 -1.2039 2.1976 1.3917
237MeOH Me1 709 0.520 0.774 3.508 -0.7276 -0.0802 -0.8186
237MeOH O2 710 0.401 0.688 3.464 -0.5786 -0.7918 0.1360
237MeOH H3 711 0.372 0.718 3.373 -0.2521 -2.2576 -0.4803
238MeOH Me1 712 3.504 3.496 5.697 0.2163 -0.3698 -0.0406
238MeOH O2 713 3.432 3.478 5.563 -0.4102 0.6631 0.1448
238MeOH H3 714 3.472 3.541 5.497 0.9167 -0.4552 -0.1743
239MeOH Me1 715 0.814 4.356 4.513 0.3793 -0.1341 -0.1311
239MeOH O2 716 0.900 4.243 4.456 0.7851 -0.0391 0.2842
239MeOH H3 717 0.980 4.231 4.515 0.3155 -0.2118 0.8916
240MeOH Me1 718 4.195 3.671 10.355 -0.1758 -0.1728 0.2898
240MeOH O2 719 4.241 3.817 10.353 -0.1319 -0.1868 0.2672
240MeOH H3 720 4.161 3.875 10.367 -0.0331 -0.1788 0.8121
241MeOH Me1 721 2.079 4.528 8.643 -0.0709 -0.1927 -0.1349
241MeOH O2 722 2.199 4.551 8.551 -0.3202 0.3757 -0.3261
241MeOH H3 723 2.272 4.487 8.577 -0.2392 0.2232 -0.9070
242MeOH Me1 724 3.198 4.105 8.664 0.2926 0.0426 0.9344
242MeOH O2 725 3.339 4.057 8.628 0.2029 0.0427 0.5775
242MeOH H3 726 3.335 3.958 8.611 0.4459 -0.2758 2.1749
243MeOH Me1 727 4.590 4.515 1.002 0.5844 -0.8827 -0.2327
243MeOH O2 728 4.726 4.584 0.997 0.2911 -0.2906 -0.0776
243MeOH H3 729 4.768 4.566 0.908 0.4098 0.0102 -0.0847
244MeOH Me1 730 1.509 2.218 0.516 -0.1837 0.5531 0.1505
244MeOH O2 731 1.548 2.084 0.578 0.0188 0.7925 0.5835
244MeOH H3 732 1.465 2.041 0.615 0.0253 0.6728 0.4612
245MeOH Me1 733 4.118 2.593 0.637 -0.0280 0.7626 1.0065
245MeOH O2 734 4.043 2.725 0.659 0.0193 0.8757 0.5128
245MeOH H3 735 4.044 2.777 0.574 -0.0266 0.5241 0.2956
246MeOH Me1 736 4.991 3.727 2.834 0.0819 -0.0559 -0.3749
246MeOH O2 737 5.011 3.874 2.798 -1.0362 0.1398 -0.2361
246MeOH H3 738 5.045 3.880 2.705 -0.5633 0.4563 -0.0466
247MeOH Me1 739 3.795 1.936 4.736 0.0420 0.0614 0.5358
247MeOH O2 740 3.661 1.875 4.698 0.1707 0.1436 -0.0448
247MeOH H3 741 3.607 1.945 4.650 0.7848 -0.0907 -1.1123
248MeOH Me1 742 3.167 2.763 10.803 0.0377 -0.0989 -0.3846
248MeOH O2 743 3.182 2.701 10.664 0.0839 -0.7775 -0.0840
248MeOH H3 744 3.253 2.751 10.614 -3.3176 2.4917 -2.1866
249MeOH Me1 745 4.349 1.219 4.184 -0.4392 0.2813 -0.0480
249MeOH O2 746 4.295 1.264 4.320 -0.0522 0.2578 0.1142
249MeOH H3 747 4.274 1.183 4.374 -0.6668 0.2402 -0.1450
250MeOH Me1 748 1.197 1.074 3.068 0.1959 0.2572 0.1465
250MeOH O2 749 1.326 1.105 2.993 -0.1997 -0.1963 -0.7389
250MeOH H3 750 1.367 1.019 2.963 0.8532 -0.6214 1.6385
251MeOH Me1 751 3.470 4.798 5.981 -0.7272 -0.1027 0.5109
251MeOH O2 752 3.434 4.654 6.015 0.5484 -0.4955 0.2407
251MeOH H3 753 3.426 4.602 5.930 -0.5450 -0.0201 0.0319
252MeOH Me1 754 1.778 4.210 5.496 0.1834 -0.6946 0.0676
252MeOH O2 755 1.630 4.186 5.526 0.0233 -0.1293 -0.2420
252MeOH H3 756 1.601 4.103 5.478 0.1823 -0.8273 0.8260
253MeOH Me1 757 2.662 3.026 0.512 0.6248 0.2082 0.6091
253MeOH O2 758 2.588 2.933 0.608 0.3770 -0.1053 0.1226
253MeOH H3 759 2.529 2.872 0.555 1.8385 -1.1382 -0.3561
254MeOH Me1 760 4.042 0.157 2.644 0.4194 0.7679 -0.2481
254MeOH O2 761 3.950 0.212 2.753 -0.0442 -0.0913 -0.1968
254MeOH H3 762 3.898 0.136 2.792 -0.2960 -0.3868 -1.0899
255MeOH Me1 763 2.515 1.330 0.234 -0.4814 -0.0690 -0.0622
255MeOH O2 764 2.480 1.448 0.142 -0.1213 -0.3665 -0.5830
255MeOH H3 765 2.381 1.446 0.125 -0.5698 1.2471 1.3949
256MeOH Me1 766 0.082 2.133 29.121 -0.2639 0.5013 -0.5169
256MeOH O2 767 0.195 2.236 29.108 0.3241 -0.1237 -0.3937
256MeOH H3 768 0.255 2.226 29.187 -0.6517 0.5361 0.4672
257MeOH Me1 769 4.023 1.019 29.634 0.1807 -0.0577 0.3964
257MeOH O2 770 3.938 0.937 29.537 0.1325 -0.0950 0.4704
257MeOH H3 771 3.900 0.859 29.587 0.4703 -0.2896 0.4257
258MeOH Me1 772 2.230 4.477 4.624 -0.1596 -0.4859 -0.2251
258MeOH O2 773 2.236 4.476 4.777 0.4616 0.2129 -0.2388
258MeOH H3 774 2.144 4.492 4.812 0.7944 1.6178 0.0785
259MeOH Me1 775 1.528 3.475 8.312 0.2575 -0.1270 -0.3071
259MeOH O2 776 1.608 3.390 8.411 -0.6946 -0.6921 -0.0110
259MeOH H3 777 1.584 3.419 8.504 0.1916 0.4461 -0.1191
260MeOH Me1 778 4.993 3.264 10.013 0.6150 -0.0142 0.0764
260MeOH O2 779 4.961 3.295 10.159 -0.2947 -0.1931 -0.0812
260MeOH H3 780 5.037 3.265 10.215 0.6747 2.2864 0.0811
261MeOH Me1 781 2.348 0.813 7.163 -0.5352 0.0263 -0.2423
261MeOH O2 782 2.318 0.892 7.291 -0.0905 0.0976 -0.1827
261MeOH H3 783 2.275 0.831 7.357 0.9358 -0.0850 0.3302
262MeOH Me1 784 0.266 2.869 5.059 0.3477 -0.0806 -0.1388
262MeOH O2 785 0.223 2.813 4.923 0.1085 0.3731 -0.2537
262MeOH H3 786 0.219 2.713 4.930 2.9316 0.0785 -1.3476
263MeOH Me1 787 0.580 0.947 4.088 -0.0363 0.0304 0.1580
263MeOH O2 788 0.726 0.974 4.127 -0.0120 0.1617 -0.0254
263MeOH H3 789 0.766 0.890 4.161 0.0009 0.2851 0.2637
264MeOH Me1 790 3.549 2.800 8.736 0.3591 -0.1834 0.4807
264MeOH O2 791 3.618 2.850 8.609 0.1191 -0.1143 0.3793
264MeOH H3 792 3.681 2.923 8.633 -1.2177 1.1840 0.0554
265MeOH Me1 793 2.590 2.540 0.747 -0.3689 0.0247 -0.2732
265MeOH O2 794 2.482 2.603 0.835 -0.5811 -0.0419 -0.4852
265MeOH H3 795 2.397 2.610 0.782 -0.5043 -0.1685 -0.6255
266MeOH Me1 796 0.904 2.600 1.359 0.6183 0.3006 -0.2515
266MeOH O2 797 0.783 2.692 1.344 0.2675 -0.0808 0.1954
266MeOH H3 798 0.813 2.779 1.305 -0.3946 -0.5764 -1.5336
267MeOH Me1 799 1.118 0.573 4.432 -0.1915 0.0452 -0.4356
267MeOH O2 800 1.255 0.510 4.458 -0.1866 0.3789 0.4082
267MeOH H3 801 1.317 0.580 4.494 0.8553 1.8866 -3.7490
268MeOH Me1 802 2.956 0.604 2.900 -0.4492 -0.0860 -0.2323
268MeOH O2 803 2.839 0.508 2.927 -0.5122 0.0603 -0.0251
268MeOH H3 804 2.753 0.557 2.911 -0.4773 -0.0154 -0.4670
269MeOH Me1 805 3.459 3.692 0.317 -0.2106 0.0804 0.3907
269MeOH O2 806 3.578 3.606 0.361 0.1188 -0.1239 -0.8438
269MeOH H3 807 3.656 3.628 0.303 0.0153 0.9692 -0.6025
270MeOH Me1 808 2.938 4.583 2.669 -0.0427 0.2591 -0.1521
270MeOH O2 809 3.054 4.671 2.622 0.1025 -0.0179 -0.3229
270MeOH H3 810 3.017 4.758 2.590 0.2439 -0.0147 -0.4791
271MeOH Me1 811 1.060 2.999 6.834 0.1041 0.2409 0.1363
271MeOH O2 812 1.171 2.902 6.875 0.0478 0.1940 0.1767
271MeOH H3 813 1.205 2.928 6.965 2.1789 2.1081 -1.0825
272MeOH Me1 814 0.835 3.073 10.174 0.1770 -0.0805 -0.4981
272MeOH O2 815 0.690 3.098 10.216 0.3286 0.2647 -0.1720
272MeOH H3 816 0.642 3.010 10.218 0.2895 0.2954 0.5727
273MeOH Me1 817 1.339 3.118 3.348 -0.5813 -0.5606 -0.4975
273MeOH O2 818 1.267 3.162 3.476 -0.1278 -0.1725 -0.3729
273MeOH H3 819 1.334 3.168 3.550 0.1134 -0.0664 -0.5974
274MeOH Me1 820 4.122 0.991 9.770 -0.7377 -0.0711 0.1854
274MeOH O2 821 4.003 0.920 9.703 -0.1462 -0.4485 -0.4803
274MeOH H3 822 3.930 0.987 9.690 0.0596 -0.4595 -1.7617
275MeOH Me1 823 3.217 4.739 10.616 -0.0934 0.1372 0.4285
275MeOH O2 824 3.117 4.853 10.594 0.0869 0.1806 -0.1849
275MeOH H3 825 3.035 4.815 10.550 0.5732 0.3237 -1.2631
276MeOH Me1 826 3.960 2.438 2.342 0.0486 0.3991 -0.4689
276MeOH O2 827 3.827 2.511 2.358 -0.0486 0.1064 0.1130
276MeOH H3 828 3.756 2.443 2.380 0.0098 -0.1900 -0.5811
277MeOH Me1 829 1.285 1.949 3.703 -0.1237 0.0858 0.0909
277MeOH O2 830 1.248 1.872 3.830 -0.6815 0.1552 -0.0244
277MeOH H3 831 1.218 1.937 3.899 -1.2486 0.1683 -0.2811
278MeOH Me1 832 0.784 3.141 3.353 -0.1491 -0.6247 0.2703
278MeOH O2 833 0.779 2.988 3.339 -0.2048 -0.6329 0.3713
278MeOH H3 834 0.697 2.963 3.288 0.1855 -0.5808 -0.3098
279MeOH Me1 835 4.554 0.486 0.173 -0.3290 0.1448 -0.0631
279MeOH O2 836 4.431 0.511 0.085 -0.1857 -0.9233 -0.5801
279MeOH H3 837 4.417 0.432 0.026 0.1198 -1.4929 0.1109
280MeOH Me1 838 2.089 3.744 2.831 0.3593 0.2739 -0.3593
280MeOH O2 839 1.960 3.719 2.754 0.3642 -0.3651 -0.1648
280MeOH H3 840 1.970 3.756 2.662 0.0203 -0.2549 -0.1612
281MeOH Me1 841 4.626 0.252 6.175 0.0009 0.0641 -0.6508
281MeOH O2 842 4.575 0.369 6.090 0.0056 0.2002 -0.4659
281MeOH H3 843 4.508 0.334 6.025 -0.8227 0.4816 0.2173
282MeOH Me1 844 2.745 4.912 2.450 0.2919 -0.1555 0.4938
282MeOH O2 845 2.890 4.887 2.492 0.3481 -0.5652 0.0634
282MeOH H3 846 2.949 4.949 2.440 0.2891 -0.1403 0.4933
283MeOH Me1 847 2.580 1.071 9.257 -0.1358 -0.3113 -0.2201
283MeOH O2 848 2.668 1.008 9.149 0.5179 0.6725 -0.2733
283MeOH H3 849 2.760 0.994 9.186 -0.1154 -1.1418 0.7143
284MeOH Me1 850 1.460 3.094 9.279 -0.3421 0.3003 0.3236
284MeOH O2 851 1.308 3.077 9.269 -0.3294 0.1884 0.3142
284MeOH H3 852 1.266 3.113 9.352 -0.4648 1.5263 -0.2991
285MeOH Me1 853 3.319 3.667 -0.022 0.3086 0.6209 0.0632
285MeOH O2 854 3.343 3.813 0.016 0.2984 0.6188 0.1076
285MeOH H3 855 3.442 3.831 0.015 1.0902 -1.1027 6.2740
286MeOH Me1 856 2.628 2.496 10.785 0.1995 0.1188 0.2337
286MeOH O2 857 2.528 2.478 10.899 0.1354 0.2599 0.2002
286MeOH H3 858 2.571 2.424 10.971 0.9683 2.3676 1.3775
287MeOH Me1 859 4.190 1.958 7.013 0.3030 -0.0684 0.1053
287MeOH O2 860 4.324 1.893 7.052 0.3635 0.2868 0.4942
287MeOH H3 861 4.335 1.900 7.151 -0.7451 -1.1724 0.7595
288MeOH Me1 862 4.363 -0.017 3.635 0.1502 -0.5308 -0.2782
288MeOH O2 863 4.419 0.118 3.590 0.0572 -0.2444 0.4628
288MeOH H3 864 4.517 0.106 3.571 -0.4915 -0.7849 -2.3967
289MeOH Me1 865 3.780 0.796 1.351 -0.2199 -0.3316 -0.0235
289MeOH O2 866 3.734 0.683 1.443 -0.5136 -0.2419 -0.0566
289MeOH H3 867 3.670 0.720 1.510 -0.8104 -0.1972 -0.3639
290MeOH Me1 868 0.787 1.003 1.106 0.3830 0.0653 -0.2702
290MeOH O2 869 0.913 0.917 1.092 0.1994 -0.2178 -0.1659
290MeOH H3 870 0.968 0.927 1.174 -0.2011 -0.9155 0.2026
291MeOH Me1 871 2.373 3.523 4.566 -0.2395 0.1314 -1.0091
291MeOH O2 872 2.491 3.597 4.504 0.7164 -0.0873 0.5045
291MeOH H3 873 2.559 3.530 4.475 0.4287 -0.2963 0.3071
292MeOH Me1 874 4.849 2.053 4.336 -0.0736 -0.2199 0.3126
292MeOH O2 875 4.965 2.143 4.382 -0.0040 -0.0422 -0.2077
292MeOH H3 876 5.042 2.085 4.406 -0.2287 0.0035 0.6401
293MeOH Me1 877 0.950 2.315 10.937 0.1408 0.1061 0.5333
293MeOH O2 878 1.072 2.243 10.996 0.2802 -0.2203 -0.1459
293MeOH H3 879 1.142 2.311 11.015 0.4245 -0.3541 -0.2011
294MeOH Me1 880 1.505 2.952 0.436 0.1829 -0.1386 -0.0178
294MeOH O2 881 1.388 3.039 0.388 0.3417 0.2475 0.2850
294MeOH H3 882 1.424 3.128 0.359 0.4569 0.4246 0.9683
295MeOH Me1 883 2.701 1.879 0.346 -0.0350 -0.7493 0.0628
295MeOH O2 884 2.727 1.871 0.195 0.1288 -0.1590 0.0556
295MeOH H3 885 2.732 1.774 0.169 0.4328 -0.0564 -0.2692
296MeOH Me1 886 1.635 1.576 2.613 -0.5900 -0.0640 0.4860
296MeOH O2 887 1.531 1.587 2.501 -0.1440 -0.0303 0.0766
296MeOH H3 888 1.451 1.532 2.526 -0.4144 0.2966 -0.0677
297MeOH Me1 889 3.548 1.134 0.347 0.5300 -0.2920 0.5373
297MeOH O2 890 3.638 1.119 0.224 0.0077 0.8711 -0.0001
297MeOH H3 891 3.715 1.060 0.248 -0.3367 -0.0599 -1.1344
298MeOH Me1 892 1.992 2.027 9.465 0.4588 -0.6076 0.2636
298MeOH O2 893 1.927 1.936 9.570 -0.5048 -0.2249 0.0089
298MeOH H3 894 1.994 1.867 9.597 -0.2762 0.6543 1.8345
299MeOH Me1 895 3.501 3.371 6.034 -0.2332 -0.0328 -1.1348
299MeOH O2 896 3.383 3.310 5.958 -0.7765 -0.4115 -0.0228
299MeOH H3 897 3.298 3.348 5.994 -0.5032 -0.0001 0.1852
300MeOH Me1 898 2.899 2.872 10.513 -0.0470 0.0757 -0.5102
300MeOH O2 899 2.867 2.892 10.365 -0.5921 0.2843 -0.3678
300MeOH H3 900 2.897 2.984 10.338 2.2852 -0.7493 -1.0986
301MeOH Me1 901 2.681 4.552 7.983 0.1928 0.3181 -0.2895
301MeOH O2 902 2.566 4.472 7.920 0.1474 0.1881 -0.0424
301MeOH H3 903 2.494 4.461 7.989 -0.8829 2.4497 -0.6730
302MeOH Me1 904 4.547 1.990 6.818 0.3006 -0.2022 0.1066
302MeOH O2 905 4.564 1.882 6.926 0.5952 -0.1694 0.0939
302MeOH H3 906 4.476 1.870 6.973 0.8758 0.2708 0.7389
303MeOH Me1 907 2.623 1.253 5.862 -0.1180 0.6246 0.0198
303MeOH O2 908 2.491 1.300 5.923 -0.4712 -0.1932 -0.1074
303MeOH H3 909 2.416 1.267 5.866 -0.1794 -0.2093 -0.4878
304MeOH Me1 910 3.373 4.866 7.381 -0.0905 0.1688 -0.6137
304MeOH O2 911 3.379 5.012 7.426 0.5607 0.0594 -0.3381
304MeOH H3 912 3.432 5.017 7.511 0.2190 -0.3936 -0.0953
305MeOH Me1 913 1.615 1.093 7.244 0.0497 0.2149 0.0494
305MeOH O2 914 1.665 1.106 7.388 0.0082 -0.1114 0.0951
305MeOH H3 915 1.587 1.097 7.450 0.2822 -2.4444 0.1631
306MeOH Me1 916 2.113 0.421 3.388 -0.0420 -0.1430 0.0348
306MeOH O2 917 2.209 0.448 3.273 -0.2822 0.4359 -0.0330
306MeOH H3 918 2.159 0.495 3.200 -0.1674 1.8502 0.7624
307MeOH Me1 919 3.029 4.271 3.336 -0.3397 0.0793 -0.5003
307MeOH O2 920 2.944 4.223 3.453 0.2970 0.3615 0.0816
307MeOH H3 921 2.862 4.178 3.417 0.2090 0.0714 0.6301
308MeOH Me1 922 4.820 1.601 5.935 0.0586 0.2554 0.1225
308MeOH O2 923 4.963 1.552 5.958 0.0087 -0.0389 -0.1908
308MeOH H3 924 4.995 1.586 6.047 0.5597 0.5736 -0.6140
309MeOH Me1 925 2.954 2.563 1.381 0.7586 0.1520 0.1898
309MeOH O2 926 2.949 2.611 1.526 -0.2765 0.0352 0.1974
309MeOH H3 927 2.953 2.532 1.586 0.7504 0.0656 0.1847
310MeOH Me1 928 4.264 1.378 3.591 0.0332 0.0364 -0.1530
310MeOH O2 929 4.394 1.416 3.662 -0.3887 0.2734 0.4921
310MeOH H3 930 4.449 1.472 3.601 0.3524 -0.6248 0.3108
311MeOH Me1 931 4.590 2.856 2.781 -0.3456 0.4358 -0.1008
311MeOH O2 932 4.543 2.870 2.926 -0.0403 -0.1044 0.0552
311MeOH H3 933 4.529 2.779 2.964 -0.5756 -0.2396 -0.4560
312MeOH Me1 934 4.622 4.814 8.950 0.2258 -0.7157 0.9888
312MeOH O2 935 4.477 4.809 8.999 -0.1938 -0.1569 -0.1609
312MeOH H3 936 4.454 4.714 9.020 -0.7587 -0.0817 -0.4212
313MeOH Me1 937 2.599 2.179 11.079 0.1611 -0.0470 -0.4123
313MeOH O2 938 2.691 2.290 11.027 0.2223 0.4095 0.6244
313MeOH H3 939 2.780 2.249 11.005 -0.5578 -0.0434 -2.2208
314MeOH Me1 940 3.643 3.039 10.809 -0.3905 0.1006 -0.5321
314MeOH O2 941 3.540 3.143 10.854 -0.6577 -0.3256 -0.1470
314MeOH H3 942 3.482 3.102 10.924 0.5004 -0.2362 0.9117
315MeOH Me1 943 2.775 3.434 4.269 -0.2188 -0.1947 -0.2076
315MeOH O2 944 2.644 3.435 4.347 -0.2828 0.3439 -0.3187
315MeOH H3 945 2.636 3.350 4.398 -0.8809 0.2051 -0.6329
316MeOH Me1 946 2.233 3.595 9.281 -0.5361 -0.2631 0.2697
316MeOH O2 947 2.368 3.591 9.354 -0.7241 -0.0581 0.6271
316MeOH H3 948 2.415 3.678 9.339 -0.3882 -0.3539 -0.0597
317MeOH Me1 949 4.843 2.300 8.419 -0.2476 0.1131 -0.4262
317MeOH O2 950 4.869 2.280 8.270 0.1086 0.3326 -0.3969
317MeOH H3 951 4.960 2.242 8.259 -0.8815 -2.3513 -0.0310
318MeOH Me1 952 3.015 1.620 2.578 -0.1628 0.0012 -0.0012
318MeOH O2 953 2.939 1.716 2.669 -0.1874 -0.2661 0.2610
318MeOH H3 954 2.848 1.732 2.630 -0.0090 0.2159 0.0299
319MeOH Me1 955 4.196 -0.086 1.859 -0.3038 -0.0784 -0.1010
319MeOH O2 956 4.142 0.043 1.921 -0.4590 -0.0816 -0.2288
319MeOH H3 957 4.219 0.103 1.942 -0.3996 -0.5862 1.0982
320MeOH Me1 958 1.916 0.392 1.845 0.3408 0.0742 -0.0022
320MeOH O2 959 1.982 0.491 1.749 -0.0673 -0.1152 -0.4839
320MeOH H3 960 2.071 0.516 1.786 -1.2306 2.5086 0.8128
321MeOH Me1 961 2.181 3.271 0.486 -0.0296 0.3446 0.2826
321MeOH O2 962 2.312 3.284 0.563 0.2452 0.0766 -0.1319
321MeOH H3 963 2.323 3.203 0.621 0.1400 0.1680 0.0176
322MeOH Me1 964 4.462 0.354 1.911 0.0314 0.3245 0.0129
322MeOH O2 965 4.400 0.250 2.005 -0.3054 0.6007 0.0961
322MeOH H3 966 4.433 0.267 2.097 -0.6995 0.9231 0.1837
323MeOH Me1 967 3.846 0.793 7.740 0.2318 0.3772 0.4155
323MeOH O2 968 3.992 0.818 7.776 0.4508 0.4415 -0.5083
323MeOH H3 969 4.039 0.855 7.695 -0.2606 1.2103 -0.5784
324MeOH Me1 970 2.078 2.847 1.078 0.3550 0.2564 1.0383
324MeOH O2 971 1.970 2.950 1.111 -0.3470 -0.2119 0.3368
324MeOH H3 972 1.908 2.911 1.178 1.4194 0.6623 2.6370
325MeOH Me1 973 0.566 3.999 7.256 -0.3040 0.0616 0.3680
325MeOH O2 974 0.613 4.131 7.318 -0.4871 0.2713 0.0571
325MeOH H3 975 0.585 4.132 7.414 2.0953 -0.8540 0.9073
326MeOH Me1 976 2.303 0.385 3.781 -0.0217 -0.6558 0.0469
326MeOH O2 977 2.385 0.256 3.798 0.9469 -0.0250 0.2035
326MeOH H3 978 2.324 0.178 3.787 1.5363 -0.5021 0.2884
327MeOH Me1 979 4.463 1.994 9.713 -0.5084 -0.1003 0.4475
327MeOH O2 980 4.476 2.089 9.833 0.5577 -0.0190 0.2784
327MeOH H3 981 4.495 2.034 9.914 -1.5471 -0.2722 0.6520
328MeOH Me1 982 2.114 2.254 10.267 -0.5582 0.1426 -0.4084
328MeOH O2 983 2.107 2.184 10.402 0.5682 -0.4805 -0.6611
328MeOH H3 984 2.167 2.232 10.466 -0.1505 0.2285 -0.5066
329MeOH Me1 985 2.445 2.448 1.137 0.4819 0.2494 -0.5838
329MeOH O2 986 2.342 2.415 1.029 0.2298 0.4073 -0.3941
329MeOH H3 987 2.371 2.456 0.942 -0.1663 0.8603 -0.3210
330MeOH Me1 988 1.211 1.290 0.621 0.1756 -0.2666 -0.1172
330MeOH O2 989 1.288 1.181 0.695 -0.1345 -0.1680 0.3403
330MeOH H3 990 1.269 1.189 0.793 -3.4708 -2.2964 0.0085
331MeOH Me1 991 0.212 4.611 0.034 -0.4175 0.4774 -0.2030
331MeOH O2 992 0.273 4.750 0.051 -0.3983 0.4221 0.1928
331MeOH H3 993 0.321 4.753 0.138 0.1908 -0.0553 -0.1085
332MeOH Me1 994 3.365 4.018 0.782 0.4564 -0.0048 0.5648
332MeOH O2 995 3.423 3.894 0.850 0.2234 -0.0980 0.5944
332MeOH H3 996 3.380 3.813 0.810 1.5826 -0.1367 -0.8864
333MeOH Me1 997 4.744 0.202 3.761 -0.2848 0.0374 -0.2229
333MeOH O2 998 4.682 0.103 3.662 -0.1034 -0.5918 0.2868
333MeOH H3 999 4.756 0.053 3.617 0.0652 0.2893 -0.4575
334MeOH Me1 1000 3.154 2.559 0.286 -0.2075 -0.4499 0.3607
334MeOH O2 1001 3.125 2.475 0.411 -0.0668 -0.2807 0.5085
334MeOH H3 1002 3.137 2.378 0.387 2.6027 -0.2246 1.3295
335MeOH Me1 1003 3.087 3.249 29.615 -0.3222 0.0738 0.4758
335MeOH O2 1004 2.968 3.310 29.689 -0.5571 0.5865 -0.2913
335MeOH H3 1005 2.912 3.236 29.727 -2.6384 0.6425 -2.9208
336MeOH Me1 1006 0.432 2.040 4.203 0.5353 0.3303 0.3444
336MeOH O2 1007 0.373 1.923 4.282 -0.2914 0.5824 0.1115
336MeOH H3 1008 0.420 1.839 4.253 -0.9206 0.2954 -0.1002
337MeOH Me1 1009 3.343 0.199 2.708 0.1838 0.2951 0.5076
337MeOH O2 1010 3.420 0.167 2.836 0.1798 0.3447 0.5221
337MeOH H3 1011 3.504 0.221 2.837 -0.5617 1.5425 1.2444
338MeOH Me1 1012 4.070 1.235 10.463 0.6130 0.0325 -0.0486
338MeOH O2 1013 4.104 1.375 10.411 -0.4206 0.3514 0.1249
338MeOH H3 1014 4.198 1.375 10.378 -0.9349 0.6201 -1.4626
339MeOH Me1 1015 0.597 5.032 1.571 0.6533 0.3432 0.2984
339MeOH O2 1016 0.706 5.008 1.466 0.0331 0.2801 -0.3411
339MeOH H3 1017 0.690 4.919 1.424 -1.4215 1.1088 -1.6706
340MeOH Me1 1018 0.797 1.026 10.269 -0.1952 0.5298 -0.4617
340MeOH O2 1019 0.775 0.898 10.188 -0.3679 0.2473 0.0259
340MeOH H3 1020 0.865 0.862 10.160 -0.4460 0.4883 -0.5561
341MeOH Me1 1021 2.919 3.599 3.240 0.2079 -0.1400 0.2131
341MeOH O2 1022 3.040 3.531 3.304 0.5489 0.5844 0.3485
341MeOH H3 1023 3.096 3.491 3.232 -0.5720 -1.4438 0.5143
342MeOH Me1 1024 1.607 4.963 7.103 -0.2347 0.3025 0.2973
342MeOH O2 1025 1.593 4.876 6.978 -0.2645 -0.1842 0.6351
342MeOH H3 1026 1.568 4.783 7.006 -0.8581 0.0739 0.9629
343MeOH Me1 1027 3.634 1.151 3.302 -0.3293 0.3982 -0.3671
343MeOH O2 1028 3.483 1.130 3.315 -0.2028 0.0262 0.6550
343MeOH H3 1029 3.467 1.041 3.357 0.2922 -0.0430 0.7064
344MeOH Me1 1030 4.552 2.575 8.374 -0.4271 -0.5096 -0.0012
344MeOH O2 1031 4.405 2.590 8.333 -0.3149 -0.1755 -0.2772
344MeOH H3 1032 4.402 2.644 8.248 -0.0265 -0.2436 -0.3335
345MeOH Me1 1033 2.951 0.619 1.016 -0.1031 -0.4332 -0.6943
345MeOH O2 1034 3.048 0.674 0.912 0.1277 0.1932 -0.1328
345MeOH H3 1035 3.124 0.609 0.902 3.1676 2.7106 3.6776
346MeOH Me1 1036 3.588 0.137 8.304 -0.6200 0.4519 0.6090
346MeOH O2 1037 3.549 0.043 8.189 -0.1150 -0.0410 0.8399
346MeOH H3 1038 3.463 -0.001 8.212 -0.4620 0.4219 0.4381
347MeOH Me1 1039 1.625 1.426 6.004 0.0276 0.1542 0.6488
347MeOH O2 1040 1.601 1.556 5.925 -0.1846 -0.2676 0.0126
347MeOH H3 1041 1.509 1.553 5.887 0.0996 -0.9600 -0.6586
348MeOH Me1 1042 2.436 4.238 1.352 -0.1008 -0.4865 0.9125
348MeOH O2 1043 2.317 4.241 1.256 0.3929 0.5807 0.3117
348MeOH H3 1044 2.345 4.201 1.169 0.8871 1.6992 -0.0564
349MeOH Me1 1045 0.615 0.546 3.155 -0.4946 0.2376 0.2232
349MeOH O2 1046 0.668 0.403 3.167 0.2730 0.5212 0.2914
349MeOH H3 1047 0.590 0.341 3.173 0.5982 0.0692 -0.0801
350MeOH Me1 1048 4.050 4.877 0.723 0.0800 -0.4748 0.4330
350MeOH O2 1049 3.905 4.921 0.744 0.1948 0.2965 -0.3600
350MeOH H3 1050 3.844 4.852 0.704 0.0538 1.6273 -2.6245
351MeOH Me1 1051 0.525 2.160 4.686 0.1107 0.1364 -0.0516
351MeOH O2 1052 0.492 2.307 4.713 0.5518 0.2726 -0.2616
351MeOH H3 1053 0.398 2.313 4.746 0.8595 0.4821 0.6383
352MeOH Me1 1054 4.517 3.220 9.781 -0.7202 -0.1186 -0.0231
352MeOH O2 1055 4.568 3.351 9.841 -0.0641 -0.3417 -0.0903
352MeOH H3 1056 4.596 3.334 9.935 -0.7034 -0.3250 0.1092
353MeOH Me1 1057 3.371 3.698 8.629 -0.4034 0.6501 0.3194
353MeOH O2 1058 3.288 3.800 8.551 -0.4492 0.1205 -0.3242
353MeOH H3 1059 3.257 3.757 8.466 0.2789 -0.1532 -0.4536
354MeOH Me1 1060 3.635 4.931 6.706 -0.1696 -0.4550 0.3995
354MeOH O2 1061 3.717 4.874 6.590 0.4352 0.4310 0.3843
354MeOH H3 1062 3.721 4.775 6.599 -0.3492 0.2679 -0.8216
355MeOH Me1 1063 2.185 3.536 3.756 -0.2394 -0.0857 -0.0795
355MeOH O2 1064 2.083 3.433 3.707 0.0138 -0.5649 0.3925
355MeOH H3 1065 1.996 3.480 3.691 -0.1276 -0.8713 0.2619
356MeOH Me1 1066 3.993 4.963 6.672 -0.1810 0.2780 0.2394
356MeOH O2 1067 4.108 4.870 6.710 0.3039 0.4258 -0.8365
356MeOH H3 1068 4.090 4.832 6.801 0.4218 -0.8436 -1.3235
357MeOH Me1 1069 1.574 1.169 10.156 0.3824 -0.2913 -0.4561
357MeOH O2 1070 1.529 1.291 10.237 0.4174 -0.9312 0.5437
357MeOH H3 1071 1.430 1.290 10.243 0.3972 -0.7911 0.2686
358MeOH Me1 1072 1.181 5.092 10.363 -0.5286 -0.2061 -0.0529
358MeOH O2 1073 1.148 4.968 10.447 0.0823 -0.1872 0.2176
358MeOH H3 1074 1.051 4.968 10.468 0.5192 0.7770 2.4826
359MeOH Me1 1075 3.530 1.267 1.617 0.5522 0.0789 0.0962
359MeOH O2 1076 3.583 1.240 1.476 0.2758 -0.9184 0.1790
359MeOH H3 1077 3.589 1.327 1.427 0.7589 -1.1847 -0.2448
360MeOH Me1 1078 3.137 1.757 8.097 0.0828 0.1675 -0.3039
360MeOH O2 1079 3.155 1.862 7.986 -0.8250 0.5230 -0.1323
360MeOH H3 1080 3.088 1.844 7.914 0.3417 -0.9306 -0.9093
361MeOH Me1 1081 2.913 4.273 9.559 0.0871 0.0922 -0.9775
361MeOH O2 1082 3.044 4.193 9.554 -0.1534 -0.3273 -0.6860
361MeOH H3 1083 3.093 4.209 9.639 0.8620 1.5163 -1.5487
362MeOH Me1 1084 1.114 1.062 9.635 0.5489 0.3349 -0.0601
362MeOH O2 1085 1.166 1.183 9.557 -0.0237 0.1010 -0.8210
362MeOH H3 1086 1.254 1.160 9.516 -1.3517 -0.7791 -3.3477
363MeOH Me1 1087 3.624 3.624 5.335 0.3089 -0.1397 0.2762
363MeOH O2 1088 3.493 3.687 5.381 0.1851 -0.3334 0.1923
363MeOH H3 1089 3.482 3.776 5.335 -1.7054 -1.9026 -2.7092
364MeOH Me1 1090 3.000 3.492 10.334 -0.1007 0.0798 0.3236
364MeOH O2 1091 3.084 3.490 10.462 0.1627 0.6736 0.1651
364MeOH H3 1092 3.112 3.396 10.480 -0.6720 0.5912 1.1051
365MeOH Me1 1093 4.288 3.562 5.819 0.2151 0.3802 0.1281
365MeOH O2 1094 4.170 3.480 5.872 0.5055 0.0940 0.3355
365MeOH H3 1095 4.192 3.383 5.861 0.7743 0.1439 0.4143
366MeOH Me1 1096 0.365 3.448 7.006 -0.1789 -0.3102 0.4208
366MeOH O2 1097 0.326 3.304 6.971 0.0944 -0.0705 -0.9194
366MeOH H3 1098 0.332 3.293 6.872 2.6754 0.1219 -0.8548
367MeOH Me1 1099 2.885 1.481 10.360 0.4930 0.0171 0.0262
367MeOH O2 1100 2.765 1.388 10.381 0.2309 0.4342 0.4079
367MeOH H3 1101 2.800 1.296 10.400 -0.0268 0.4111 0.7556
368MeOH Me1 1102 4.672 0.915 3.337 -0.3455 0.5811 0.7897
368MeOH O2 1103 4.778 0.909 3.447 0.2572 -0.1779 0.1790
368MeOH H3 1104 4.831 0.824 3.436 -0.8073 -0.8613 0.2302
369MeOH Me1 1105 1.118 1.629 1.699 0.3116 -0.0504 -0.1948
369MeOH O2 1106 1.222 1.610 1.809 -0.0940 -0.4005 0.1316
369MeOH H3 1107 1.246 1.513 1.814 0.4269 -0.3112 -0.5859
370MeOH Me1 1108 2.686 2.185 2.021 -0.2721 0.5746 0.2355
370MeOH O2 1109 2.628 2.327 2.013 -0.1186 0.6351 0.1888
370MeOH H3 1110 2.704 2.392 2.014 -0.0351 0.5448 -0.0729
371MeOH Me1 1111 1.057 3.946 9.727 0.1285 0.5611 0.4172
371MeOH O2 1112 1.005 3.901 9.864 -0.5136 0.1512 0.0411
371MeOH H3 1113 0.944 3.823 9.851 -0.6205 0.3232 -0.5100
372MeOH Me1 1114 0.257 0.782 0.161 -0.2524 0.2245 -0.8085
372MeOH O2 1115 0.180 0.653 0.190 0.4387 0.1397 0.7694
372MeOH H3 1116 0.133 0.625 0.107 0.6955 -1.2205 1.0611
373MeOH Me1 1117 3.347 2.357 6.888 -0.0652 0.5801 -0.5120
373MeOH O2 1118 3.457 2.455 6.849 -0.1081 0.6194 -0.5305
373MeOH H3 1119 3.484 2.507 6.930 -1.5106 2.0487 -0.9381
374MeOH Me1 1120 4.465 3.391 2.322 0.8171 -0.4559 -0.6288
374MeOH O2 1121 4.505 3.249 2.360 0.1538 -0.6172 -0.5321
374MeOH H3 1122 4.596 3.251 2.401 0.0284 -0.9714 -0.2285
375MeOH Me1 1123 4.643 0.914 0.839 -0.5108 -0.6284 -0.0509
375MeOH O2 1124 4.523 1.009 0.840 0.1523 0.2160 -0.2659
375MeOH H3 1125 4.474 0.998 0.926 1.3532 2.4036 0.8100
376MeOH Me1 1126 0.796 2.449 0.563 -0.1862 0.1772 -0.2229
376MeOH O2 1127 0.853 2.346 0.660 -0.3500 0.6701 0.4283
376MeOH H3 1128 0.838 2.378 0.754 0.1390 1.5187 0.2243
377MeOH Me1 1129 0.528 4.700 10.809 0.1796 -0.5761 0.4152
377MeOH O2 1130 0.680 4.687 10.813 0.2014 -0.2492 0.1328
377MeOH H3 1131 0.703 4.591 10.830 0.4100 0.1060 2.1326
378MeOH Me1 1132 0.307 0.061 4.226 -0.0870 -0.5223 -1.0335
378MeOH O2 1133 0.360 0.153 4.117 -0.3569 0.9351 0.0097
378MeOH H3 1134 0.450 0.118 4.087 -1.6788 -0.4774 -2.6984
379MeOH Me1 1135 4.366 2.951 4.780 -0.0914 -0.5440 -0.1804
379MeOH O2 1136 4.453 3.073 4.749 -0.8105 0.0689 0.1946
379MeOH H3 1137 4.416 3.152 4.798 -1.5793 -0.1979 0.0496
380MeOH Me1 1138 4.155 2.165 4.969 0.0226 -0.4592 0.2369
380MeOH O2 1139 4.205 2.300 5.021 0.0542 -0.5786 0.5353
380MeOH H3 1140 4.203 2.297 5.121 -1.9243 -0.0718 0.5468
381MeOH Me1 1141 2.378 4.666 4.310 0.2939 0.1468 -0.0132
381MeOH O2 1142 2.518 4.630 4.362 0.1579 -0.4979 -0.0870
381MeOH H3 1143 2.521 4.532 4.378 -1.1860 -0.2201 2.5075
382MeOH Me1 1144 4.796 4.335 2.549 0.4426 0.2087 -0.1951
382MeOH O2 1145 4.713 4.206 2.558 0.1977 0.4029 0.3888
382MeOH H3 1146 4.626 4.221 2.510 0.8693 -0.1232 -1.0789
383MeOH Me1 1147 3.488 1.406 5.849 -0.1743 0.2833 0.3618
383MeOH O2 1148 3.389 1.313 5.919 0.1666 -0.3151 0.0509
383MeOH H3 1149 3.372 1.235 5.859 1.7102 -1.0205 0.4658
384MeOH Me1 1150 1.980 3.003 8.342 -0.1895 -0.2293 0.3614
384MeOH O2 1151 2.122 3.059 8.356 -0.1294 -0.2474 -0.1564
384MeOH H3 1152 2.174 3.033 8.275 -0.1987 -0.9423 0.0167
385MeOH Me1 1153 3.259 4.429 10.356 0.2105 0.3955 0.1805
385MeOH O2 1154 3.227 4.347 10.480 0.4645 -0.6078 -0.4066
385MeOH H3 1155 3.303 4.285 10.498 0.9466 -0.0425 -0.4833
386MeOH Me1 1156 4.228 2.930 9.430 0.2132 0.0677 0.0989
386MeOH O2 1157 4.359 2.876 9.487 -0.4099 -0.9151 0.6269
386MeOH H3 1158 4.400 2.815 9.419 0.6729 0.7844 -0.3328
387MeOH Me1 1159 2.566 0.811 5.909 0.1418 -0.2455 -0.1501
387MeOH O2 1160 2.487 0.879 5.797 -0.4332 -0.3497 0.1886
387MeOH H3 1161 2.393 0.894 5.829 0.1700 1.2466 1.2945
388MeOH Me1 1162 0.539 0.046 8.076 -0.2721 -0.1955 0.0853
388MeOH O2 1163 0.450 0.161 8.027 0.1388 -0.1105 -0.4825
388MeOH H3 1164 0.374 0.123 7.974 0.4656 -0.0352 -1.0089
389MeOH Me1 1165 2.189 1.173 8.708 -0.2040 0.2754 0.4604
389MeOH O2 1166 2.199 1.325 8.700 -0.1711 0.2386 -0.2329
389MeOH H3 1167 2.191 1.362 8.793 -0.9189 0.7175 -0.4748
390MeOH Me1 1168 4.658 0.014 7.957 0.0102 0.1850 -0.0053
390MeOH O2 1169 4.681 0.117 7.847 -0.3542 0.0699 -0.1936
390MeOH H3 1170 4.750 0.081 7.783 -2.5003 -1.1892 -1.9348
391MeOH Me1 1171 3.824 0.174 1.795 -0.4326 -0.2090 0.2253
391MeOH O2 1172 3.962 0.239 1.796 -0.2690 -0.5515 0.1005
391MeOH H3 1173 4.029 0.171 1.826 -0.5030 -0.5390 0.6688
392MeOH Me1 1174 4.418 2.692 4.446 0.2606 -0.2607 0.2694
392MeOH O2 1175 4.447 2.544 4.421 0.5615 -0.1121 -0.2822
392MeOH H3 1176 4.368 2.504 4.372 0.7800 -0.0206 -0.7181
393MeOH Me1 1177 1.832 1.117 8.369 0.4782 0.7282 0.0862
393MeOH O2 1178 1.856 1.033 8.494 0.0933 0.0845 -0.2663
393MeOH H3 1179 1.843 1.091 8.574 -0.4508 -0.3994 0.0037
394MeOH Me1 1180 2.567 3.285 0.765 0.2029 0.3591 -0.7419
394MeOH O2 1181 2.585 3.427 0.819 0.3512 0.1780 -0.3109
394MeOH H3 1182 2.551 3.492 0.750 -0.2218 0.3981 0.1676
395MeOH Me1 1183 1.370 0.419 3.313 -0.4342 -0.0762 -0.1134
395MeOH O2 1184 1.433 0.447 3.450 0.7561 -0.4362 -0.5672
395MeOH H3 1185 1.365 0.494 3.506 0.9274 -1.3603 0.4438
396MeOH Me1 1186 1.937 0.476 0.528 0.5836 0.1046 1.1236
396MeOH O2 1187 1.933 0.324 0.544 -0.4073 0.0200 0.2218
396MeOH H3 1188 2.012 0.285 0.497 -0.1147 -0.1266 0.8223
397MeOH Me1 1189 3.365 1.578 4.780 -0.1906 0.4835 -0.1797
397MeOH O2 1190 3.222 1.525 4.785 0.0850 -0.2861 -0.2811
397MeOH H3 1191 3.159 1.602 4.768 -0.2284 -1.2361 -4.7214
398MeOH Me1 1192 0.236 2.757 6.621 -0.3824 0.4542 -0.6169
398MeOH O2 1193 0.364 2.729 6.542 -0.2281 -0.0622 -0.1849
398MeOH H3 1194 0.420 2.812 6.542 0.1901 -0.3389 0.1504
399MeOH Me1 1195 1.211 1.604 2.201 -0.4577 -0.0426 -0.7818
399MeOH O2 1196 1.204 1.469 2.273 0.0638 0.2915 -0.0944
399MeOH H3 1197 1.122 1.421 2.243 0.4180 -0.3220 -0.1069
400MeOH Me1 1198 1.884 0.254 10.173 0.0665 0.2689 0.0998
400MeOH O2 1199 1.939 0.331 10.294 -0.0112 -0.2847 0.4870
400MeOH H3 1200 1.905 0.425 10.290 0.7541 -0.0045 0.3788
401MeOH Me1 1201 2.635 2.468 10.398 0.1288 0.1415 0.3732
401MeOH O2 1202 2.497 2.527 10.426 -0.1120 -0.0984 -0.2873
401MeOH H3 1203 2.495 2.621 10.392 -0.1096 -0.0962 -0.2821
402MeOH Me1 1204 1.700 4.983 7.753 -0.3257 -0.2668 -0.6315
402MeOH O2 1205 1.847 5.012 7.725 -0.2334 0.0703 0.1653
402MeOH H3 1206 1.882 4.942 7.663 0.0643 0.5662 -0.2376
403MeOH Me1 1207 0.201 4.454 9.857 -0.5968 0.1414 0.3141
403MeOH O2 1208 0.247 4.546 9.969 0.0427 0.0790 0.1064
403MeOH H3 1209 0.331 4.508 10.009 -1.0375 -1.2544 1.2092
404MeOH Me1 1210 2.496 2.342 6.264 -0.1342 0.4988 0.0262
404MeOH O2 1211 2.585 2.287 6.152 -0.7519 0.5597 -0.4971
404MeOH H3 1212 2.548 2.318 6.064 -0.8426 1.1753 -0.2453
405MeOH Me1 1213 3.130 0.191 0.112 -0.0596 -0.0222 -0.9275
405MeOH O2 1214 3.214 0.278 0.017 0.1071 0.6506 -0.1800
405MeOH H3 1215 3.305 0.288 0.056 0.0566 0.3380 0.0252
406MeOH Me1 1216 1.654 2.555 7.074 -0.1163 -0.0167 -0.4233
406MeOH O2 1217 1.657 2.592 7.222 0.6803 -0.0061 -0.4339
406MeOH H3 1218 1.725 2.665 7.235 -0.3986 1.1574 -1.0903
407MeOH Me1 1219 3.456 2.613 5.848 0.4238 -0.0096 0.1508
407MeOH O2 1220 3.552 2.702 5.769 -0.2341 0.0069 -0.6396
407MeOH H3 1221 3.639 2.706 5.817 -0.3464 1.3372 -0.4920
408MeOH Me1 1222 1.361 0.424 0.909 0.3368 0.2425 0.4199
408MeOH O2 1223 1.419 0.307 0.989 0.5619 0.0694 0.0100
408MeOH H3 1224 1.424 0.227 0.930 -1.1232 -0.2573 0.2502
409MeOH Me1 1225 0.061 0.293 4.390 0.1189 -0.1525 -0.0491
409MeOH O2 1226 0.115 0.404 4.481 -0.1359 0.2244 -0.3353
409MeOH H3 1227 0.121 0.488 4.427 1.4564 -0.3450 -1.1137
410MeOH Me1 1228 2.727 3.411 6.015 0.2422 -0.1851 0.4293
410MeOH O2 1229 2.792 3.544 6.051 -0.5134 0.2709 0.1478
410MeOH H3 1230 2.891 3.535 6.041 -0.2184 0.0226 2.5448
411MeOH Me1 1231 3.796 3.036 0.872 0.0310 0.2250 0.0883
411MeOH O2 1232 3.695 3.151 0.882 0.0085 0.2309 -0.1917
411MeOH H3 1233 3.636 3.134 0.961 -0.8653 -0.2898 -0.9380
412MeOH Me1 1234 4.425 2.255 1.486 0.3338 0.3999 -0.4149
412MeOH O2 1235 4.535 2.210 1.582 0.0916 -0.0141 -0.3291
412MeOH H3 1236 4.498 2.211 1.675 -0.2593 -0.7883 -0.4573
413MeOH Me1 1237 4.460 3.983 11.170 0.3000 0.1080 -0.4098
413MeOH O2 1238 4.326 3.975 11.096 0.2757 -0.0608 -0.3467
413MeOH H3 1239 4.341 3.925 11.010 0.3988 0.3754 -0.5809
414MeOH Me1 1240 2.374 1.628 6.438 0.2744 -0.1234 0.3881
414MeOH O2 1241 2.346 1.503 6.355 -0.3236 0.1041 0.2416
414MeOH H3 1242 2.403 1.506 6.273 0.9787 -0.8935 1.0718
415MeOH Me1 1243 2.543 3.175 6.267 -0.0904 0.1056 -0.5795
415MeOH O2 1244 2.571 3.061 6.365 -0.0147 0.3931 -0.2652
415MeOH H3 1245 2.648 3.088 6.424 -0.1122 0.6541 -0.2581
416MeOH Me1 1246 2.839 1.077 10.949 0.4746 -0.2551 -0.2421
416MeOH O2 1247 2.768 1.201 10.895 0.4247 -0.1617 0.0567
416MeOH H3 1248 2.836 1.272 10.879 0.7307 -0.8386 -1.9335
417MeOH Me1 1249 3.664 1.389 30.042 -0.1172 -0.5799 -0.1917
417MeOH O2 1250 3.803 1.396 29.977 0.3195 0.2035 0.7975
417MeOH H3 1251 3.804 1.336 29.898 1.2800 0.0973 0.8785
418MeOH Me1 1252 5.047 3.810 4.118 0.0969 0.5019 -0.1239
418MeOH O2 1253 5.034 3.870 3.978 -0.2053 -0.3250 -0.4547
418MeOH H3 1254 4.940 3.900 3.964 0.0823 0.9044 0.1191
419MeOH Me1 1255 4.955 3.929 4.904 0.3514 0.3475 0.0198
419MeOH O2 1256 4.899 3.787 4.897 0.6501 0.2386 -0.1712
419MeOH H3 1257 4.904 3.746 4.988 -0.0311 0.4238 -0.0445
420MeOH Me1 1258 1.164 3.160 1.025 0.2038 0.2468 0.0506
420MeOH O2 1259 1.294 3.224 0.976 0.0898 0.1563 -0.3745
420MeOH H3 1260 1.369 3.192 1.033 0.0031 1.4916 0.5509
421MeOH Me1 1261 1.427 2.132 10.337 -0.0408 0.0070 -0.1628
421MeOH O2 1262 1.309 2.229 10.343 -0.1511 -0.1329 -0.0771
421MeOH H3 1263 1.299 2.273 10.254 -0.8090 -0.7841 -0.3387
422MeOH Me1 1264 1.026 2.522 3.911 -0.0888 -0.8273 0.2730
422MeOH O2 1265 0.891 2.592 3.933 0.4865 0.5471 -0.4343
422MeOH H3 1266 0.892 2.635 4.023 0.3796 0.3557 -0.3411
423MeOH Me1 1267 1.762 0.592 9.002 0.4148 -0.1129 0.3459
423MeOH O2 1268 1.643 0.497 8.999 0.1737 0.1914 0.1591
423MeOH H3 1269 1.628 0.467 8.904 0.3102 0.1505 0.1491
424MeOH Me1 1270 3.916 3.771 0.216 0.2561 0.0250 0.0127
424MeOH O2 1271 3.807 3.664 0.216 0.0641 0.2194 0.0283
424MeOH H3 1272 3.850 3.575 0.197 -0.1764 0.2228 -0.5399
425MeOH Me1 1273 1.440 1.966 3.287 -0.4473 0.3900 -0.7044
425MeOH O2 1274 1.468 1.821 3.247 0.0487 0.3535 -0.2341
425MeOH H3 1275 1.383 1.769 3.255 0.5412 -0.2803 1.4635
426MeOH Me1 1276 0.680 -0.021 4.071 0.1333 0.3715 0.0658
426MeOH O2 1277 0.633 0.123 4.046 0.0836 0.2800 -0.3628
426MeOH H3 1278 0.666 0.180 4.121 -0.3512 0.4123 -0.2690
427MeOH Me1 1279 3.613 0.043 5.178 -0.0216 -0.1967 -0.2133
427MeOH O2 1280 3.631 0.194 5.191 0.3878 -0.2313 -0.3703
427MeOH H3 1281 3.705 0.211 5.257 -0.5828 -0.3514 0.7886
428MeOH Me1 1282 2.077 2.138 1.833 0.3409 -0.0201 -0.2938
428MeOH O2 1283 1.978 2.230 1.763 0.0068 -0.3275 -0.2261
428MeOH H3 1284 1.924 2.278 1.833 1.6650 1.4635 -0.0833
429MeOH Me1 1285 0.197 3.974 7.299 -0.5121 -0.2258 -0.0201
429MeOH O2 1286 0.207 3.881 7.420 0.0823 -0.3458 -0.1606
429MeOH H3 1287 0.254 3.930 7.494 -0.6722 0.0162 0.0820
430MeOH Me1 1288 2.861 1.791 10.739 0.6048 -0.3091 -0.3252
430MeOH O2 1289 2.830 1.666 10.657 -0.0057 -0.3887 0.0142
430MeOH H3 1290 2.732 1.662 10.640 -0.1453 -0.4412 0.7988
431MeOH Me1 1291 2.714 4.333 10.346 -0.1714 -0.6330 -0.1706
431MeOH O2 1292 2.631 4.274 10.460 -0.3491 -0.2755 -0.1119
431MeOH H3 1293 2.676 4.295 10.547 1.0467 -2.3849 -0.2537
432MeOH Me1 1294 4.139 0.325 0.338 -0.5657 -0.6096 -0.1792
432MeOH O2 1295 4.013 0.411 0.320 -0.2329 -0.1092 -0.1249
432MeOH H3 1296 3.936 0.362 0.360 -0.4064 0.2139 -0.0623
433MeOH Me1 1297 4.105 1.964 8.863 -0.1775 0.2297 -0.5899
433MeOH O2 1298 4.196 2.017 8.751 -0.0009 0.7137 -0.2189
433MeOH H3 1299 4.145 2.016 8.665 0.1654 1.0048 -0.3241
434MeOH Me1 1300 2.493 0.838 5.455 0.8421 -0.6946 0.2552
434MeOH O2 1301 2.469 0.961 5.542 -0.0754 -0.7847 0.1449
434MeOH H3 1302 2.503 0.942 5.635 0.4035 -0.3298 0.0702
435MeOH Me1 1303 1.906 3.882 1.418 0.1048 -0.1092 0.7462
435MeOH O2 1304 1.899 3.760 1.325 0.2239 0.3787 0.0926
435MeOH H3 1305 1.816 3.709 1.346 -0.5198 0.9861 -1.1935
436MeOH Me1 1306 0.528 3.303 4.579 0.5758 0.4599 -0.1649
436MeOH O2 1307 0.398 3.359 4.522 0.0492 -0.0315 0.5605
436MeOH H3 1308 0.374 3.307 4.440 -1.4864 -1.6648 1.9517
437MeOH Me1 1309 0.299 4.027 2.853 0.3665 0.0836 0.5337
437MeOH O2 1310 0.185 3.990 2.947 -0.0060 -0.2367 -0.0384
437MeOH H3 1311 0.105 3.964 2.892 -1.1382 3.7615 -0.6152
438MeOH Me1 1312 4.065 4.247 4.135 -0.1018 0.2038 0.2745
438MeOH O2 1313 4.002 4.334 4.244 -0.0407 0.7077 -0.0869
438MeOH H3 1314 3.961 4.415 4.200 -1.6415 -0.3508 -0.6622
439MeOH Me1 1315 2.597 2.571 10.075 0.0962 -0.2054 0.0791
439MeOH O2 1316 2.741 2.533 10.040 0.1742 -0.0429 0.2242
439MeOH H3 1317 2.803 2.597 10.085 0.0811 -0.3688 0.8181
440MeOH Me1 1318 1.819 1.779 6.095 0.3024 -0.1345 0.0730
440MeOH O2 1319 1.671 1.777 6.057 0.2706 0.5804 0.1304
440MeOH H3 1320 1.648 1.684 6.027 -0.6121 0.1959 1.8695
441MeOH Me1 1321 4.782 1.830 2.042 0.4797 -0.1853 -0.2090
441MeOH O2 1322 4.657 1.812 1.955 -0.0887 -0.6741 0.6991
441MeOH H3 1323 4.588 1.877 1.985 0.5116 0.2750 0.0678
442MeOH Me1 1324 2.681 3.305 2.891 0.6803 0.5095 0.3677
442MeOH O2 1325 2.679 3.153 2.911 -0.0315 0.4364 -0.1730
442MeOH H3 1326 2.619 3.133 2.988 0.1820 0.4796 0.0048
443MeOH Me1 1327 1.695 3.494 1.043 0.6497 0.3200 -0.2887
443MeOH O2 1328 1.698 3.370 1.134 0.3639 0.0853 -0.5986
443MeOH H3 1329 1.780 3.317 1.113 -0.2385 -0.5602 -1.4011
444MeOH Me1 1330 0.943 4.571 6.073 -0.0996 -0.1744 -0.0517
444MeOH O2 1331 0.875 4.622 6.200 -0.0232 -0.8193 0.2522
444MeOH H3 1332 0.785 4.657 6.176 -0.2262 -1.1300 0.5609
445MeOH Me1 1333 3.568 1.943 9.155 -0.1260 0.4751 0.0062
445MeOH O2 1334 3.664 1.983 9.042 0.4348 0.0680 0.3375
445MeOH H3 1335 3.684 1.901 8.988 1.2499 -0.2852 1.1449
446MeOH Me1 1336 4.688 1.510 8.418 0.0073 0.6869 0.2499
446MeOH O2 1337 4.623 1.593 8.306 -0.4218 -0.1397 -0.1233
446MeOH H3 1338 4.563 1.661 8.349 -0.0508 0.3531 -0.3838
447MeOH Me1 1339 0.327 3.595 8.965 -0.7262 -0.0424 -0.2803
447MeOH O2 1340 0.347 3.525 9.100 -0.3588 0.6646 0.0300
447MeOH H3 1341 0.296 3.439 9.098 -0.2474 0.5825 0.5878
448MeOH Me1 1342 0.596 2.767 0.371 0.8661 -0.0068 -0.2354
448MeOH O2 1343 0.565 2.761 0.221 0.3015 -0.0435 -0.1191
448MeOH H3 1344 0.643 2.720 0.175 1.4128 2.6000 -0.7770
449MeOH Me1 1345 3.306 4.249 0.033 -0.2112 0.0497 0.4561
449MeOH O2 1346 3.308 4.279 0.183 0.5891 -0.2923 0.5184
449MeOH H3 1347 3.254 4.209 0.230 0.9611 -0.4829 0.6633
450MeOH Me1 1348 0.453 4.045 7.953 -0.6365 -0.2579 0.3307
450MeOH O2 1349 0.534 3.999 8.074 0.3073 -0.1156 -0.2314
450MeOH H3 1350 0.484 3.925 8.119 0.4979 0.1512 0.4267
451MeOH Me1 1351 0.143 0.556 2.080 -0.4646 0.0728 0.5937
451MeOH O2 1352 0.223 0.643 2.177 -0.1371 0.0601 0.3385
451MeOH H3 1353 0.222 0.737 2.142 -1.4308 0.3414 1.0558
452MeOH Me1 1354 0.376 4.539 7.524 0.6480 0.0315 -0.2516
452MeOH O2 1355 0.474 4.613 7.617 0.3834 -0.4230 0.3976
452MeOH H3 1356 0.567 4.585 7.593 0.5701 1.0534 -0.7037
453MeOH Me1 1357 2.262 2.028 0.432 -0.2086 -0.6583 0.1605
453MeOH O2 1358 2.217 1.960 0.302 -0.0077 0.4996 -0.5290
453MeOH H3 1359 2.120 1.937 0.310 -0.0796 0.6422 -0.9804
454MeOH Me1 1360 4.507 2.423 9.768 -0.3382 -0.1531 -0.0903
454MeOH O2 1361 4.386 2.331 9.754 0.0269 -0.5340 -0.8614
454MeOH H3 1362 4.412 2.239 9.783 -0.0958 -0.2557 0.1936
455MeOH Me1 1363 0.337 2.127 7.388 -0.1350 -0.3115 -0.7816
455MeOH O2 1364 0.276 2.257 7.333 0.0961 0.0202 -0.2597
455MeOH H3 1365 0.260 2.319 7.410 0.6370 -0.0789 -0.0615
456MeOH Me1 1366 3.604 2.920 4.772 0.0746 0.3332 -0.5944
456MeOH O2 1367 3.501 2.998 4.855 0.3455 -0.5165 0.5626
456MeOH H3 1368 3.543 3.083 4.886 -0.0415 -0.1017 -0.0281
457MeOH Me1 1369 3.001 4.573 6.251 -0.1626 -0.0998 -0.4447
457MeOH O2 1370 2.999 4.421 6.240 0.2353 -0.1614 0.2276
457MeOH H3 1371 3.086 4.391 6.201 0.8811 -0.2390 1.7009
458MeOH Me1 1372 0.826 1.143 6.219 -0.0013 -0.8516 0.0746
458MeOH O2 1373 0.963 1.078 6.233 0.5106 0.1632 -0.1439
458MeOH H3 1374 0.979 1.019 6.154 1.1029 0.7823 -0.4902
459MeOH Me1 1375 2.674 1.253 4.446 0.5499 0.0998 0.0469
459MeOH O2 1376 2.634 1.332 4.321 0.3016 0.5084 0.3805
459MeOH H3 1377 2.536 1.352 4.326 -0.0365 -0.8737 -0.0935
460MeOH Me1 1378 4.424 0.718 6.111 -0.4403 -0.5752 0.1307
460MeOH O2 1379 4.561 0.653 6.089 -0.1306 -0.0976 0.6410
460MeOH H3 1380 4.554 0.555 6.108 0.4666 0.0942 1.9558
461MeOH Me1 1381 1.234 4.454 10.465 0.1496 -0.4836 0.9193
461MeOH O2 1382 1.316 4.531 10.569 -0.5824 0.5934 0.7185
461MeOH H3 1383 1.409 4.543 10.533 -0.2753 0.0592 1.3055
462MeOH Me1 1384 2.914 1.723 7.809 0.2072 0.0683 0.7454
462MeOH O2 1385 3.007 1.817 7.733 -0.4671 0.1439 0.0057
462MeOH H3 1386 3.004 1.793 7.636 -2.0661 0.8625 -0.1431
463MeOH Me1 1387 2.912 4.302 9.182 0.6843 0.4211 -0.2767
463MeOH O2 1388 2.896 4.450 9.146 0.2266 0.3946 -0.1765
463MeOH H3 1389 2.977 4.500 9.176 1.0125 0.2843 -1.9522
464MeOH Me1 1390 1.156 3.094 1.888 0.1083 0.4282 -0.5835
464MeOH O2 1391 1.237 2.988 1.812 -0.1583 0.0404 -0.3354
464MeOH H3 1392 1.269 2.920 1.877 -0.4232 0.0564 -0.1890
465MeOH Me1 1393 0.662 2.383 9.679 0.5346 0.4955 0.2187
465MeOH O2 1394 0.693 2.397 9.530 -0.0816 0.0652 0.0491
465MeOH H3 1395 0.773 2.456 9.519 -0.3040 0.2785 -0.4683
466MeOH Me1 1396 1.394 1.752 29.671 -0.0649 0.5786 -0.2210
466MeOH O2 1397 1.421 1.842 29.792 -0.2618 0.0406 0.2314
466MeOH H3 1398 1.394 1.936 29.768 -0.9670 0.0055 0.8799
467MeOH Me1 1399 4.453 3.330 8.370 -0.3068 0.1114 0.0170
467MeOH O2 1400 4.303 3.337 8.343 -0.2861 0.3335 -0.0467
467MeOH H3 1401 4.285 3.414 8.282 -0.0417 -0.1970 -0.8009
468MeOH Me1 1402 2.818 0.206 3.227 0.3151 -0.1862 -0.0705
468MeOH O2 1403 2.970 0.206 3.236 0.3058 0.4043 0.1508
468MeOH H3 1404 3.007 0.190 3.145 0.4770 -0.8508 0.4292
469MeOH Me1 1405 3.567 4.233 5.235 -0.0062 0.3648 0.2289
469MeOH O2 1406 3.478 4.358 5.241 -0.0475 0.3304 -0.0317
469MeOH H3 1407 3.398 4.337 5.296 0.5968 0.8138 1.1470
470MeOH Me1 1408 3.094 2.766 9.005 0.0423 0.1817 0.1460
470MeOH O2 1409 3.020 2.857 9.104 -0.2453 0.3222 -0.1972
470MeOH H3 1410 3.041 2.826 9.196 0.9841 1.5950 -0.0250
471MeOH Me1 1411 2.305 2.530 30.025 -0.0268 0.2339 0.3424
471MeOH O2 1412 2.334 2.679 30.007 0.5209 0.1426 0.4514
471MeOH H3 1413 2.337 2.699 29.909 1.6964 -0.0063 0.4431
472MeOH Me1 1414 4.625 2.184 2.300 -0.1022 -1.0843 -0.4946
472MeOH O2 1415 4.672 2.188 2.154 -0.3188 0.4625 -0.5381
472MeOH H3 1416 4.600 2.149 2.097 -0.0349 0.2441 -0.7442
473MeOH Me1 1417 2.805 3.921 9.372 -0.0921 0.2973 0.0912
473MeOH O2 1418 2.932 3.866 9.306 -0.3957 -0.0730 -0.1871
473MeOH H3 1419 3.011 3.911 9.347 -0.2559 1.2988 -1.8170
474MeOH Me1 1420 2.451 4.001 7.378 -0.0979 0.2079 -0.0746
474MeOH O2 1421 2.567 3.997 7.477 -0.1688 -0.1729 -0.0020
474MeOH H3 1422 2.530 3.991 7.569 -0.3001 1.5862 0.0863
475MeOH Me1 1423 0.753 2.698 6.038 -0.3695 -0.3444 0.4031
475MeOH O2 1424 0.660 2.815 6.006 -0.3846 -0.3536 0.4142
475MeOH H3 1425 0.652 2.823 5.906 -1.3824 -1.1406 0.4166
476MeOH Me1 1426 2.032 4.548 7.909 0.1558 -0.3542 0.0554
476MeOH O2 1427 1.883 4.519 7.926 0.0990 -0.3570 -0.4216
476MeOH H3 1428 1.867 4.486 8.019 -0.2253 -0.1658 -0.4045
477MeOH Me1 1429 0.931 1.366 9.110 0.5728 0.1465 0.0050
477MeOH O2 1430 1.008 1.234 9.125 0.2605 -0.0100 0.2551
477MeOH H3 1431 0.944 1.159 9.114 -0.1021 0.1129 1.4024
478MeOH Me1 1432 2.223 3.350 7.728 -0.3044 -0.0953 0.0316
478MeOH O2 1433 2.226 3.204 7.773 -0.4583 -0.2407 -0.4293
478MeOH H3 1434 2.132 3.171 7.778 -0.6017 0.3335 1.0484
479MeOH Me1 1435 3.319 1.222 4.549 -0.0396 0.0443 -0.0926
479MeOH O2 1436 3.444 1.284 4.487 0.1533 0.0243 0.3177
479MeOH H3 1437 3.504 1.315 4.562 0.5392 -1.2005 0.5293
480MeOH Me1 1438 4.330 2.448 6.053 0.5195 0.0944 -0.4678
480MeOH O2 1439 4.268 2.545 5.953 -1.0338 -0.4687 -0.0784
480MeOH H3 1440 4.293 2.517 5.860 -0.4702 0.3537 -0.1920
481MeOH Me1 1441 3.324 4.917 3.275 0.1596 0.5492 0.2360
481MeOH O2 1442 3.339 4.786 3.197 0.3155 0.6336 0.1235
481MeOH H3 1443 3.362 4.808 3.102 -0.9773 0.7848 -0.1693
482MeOH Me1 1444 2.551 1.633 6.061 0.6299 -0.2365 0.2648
482MeOH O2 1445 2.455 1.525 6.113 0.6075 -0.3670 -0.0404
482MeOH H3 1446 2.453 1.450 6.047 1.9535 -0.9821 0.5641
483MeOH Me1 1447 4.746 4.446 4.238 -0.4393 0.8209 -0.0888
483MeOH O2 1448 4.718 4.490 4.381 0.1934 -0.1749 0.3497
483MeOH H3 1449 4.743 4.586 4.391 0.3859 -0.2792 0.9523
484MeOH Me1 1450 1.996 1.679 2.114 0.3757 -0.1915 0.0752
484MeOH O2 1451 1.910 1.613 2.006 -0.1594 0.9025 -0.1989
484MeOH H3 1452 1.914 1.670 1.923 0.9460 0.7973 -0.2315
485MeOH Me1 1453 0.481 2.990 9.198 0.2534 0.3927 -0.0320
485MeOH O2 1454 0.475 2.945 9.344 -0.1884 0.5037 -0.0159
485MeOH H3 1455 0.439 2.852 9.347 0.6118 0.1918 -0.1176
486MeOH Me1 1456 1.787 3.137 2.134 0.1219 0.1962 -0.2437
486MeOH O2 1457 1.906 3.117 2.040 -0.0752 0.2762 -0.5082
486MeOH H3 1458 1.870 3.099 1.948 -0.2925 -1.1883 -0.1623
487MeOH Me1 1459 1.706 2.500 4.896 -0.0088 -0.2189 0.0018
487MeOH O2 1460 1.569 2.537 4.954 0.0773 -0.1851 0.1818
487MeOH H3 1461 1.550 2.476 5.031 0.0582 -0.3365 0.0580
488MeOH Me1 1462 4.195 4.753 2.542 -0.3204 0.3270 -0.1706
488MeOH O2 1463 4.215 4.613 2.599 0.1987 0.3453 -0.3058
488MeOH H3 1464 4.288 4.617 2.668 0.4293 0.4769 -0.5574
489MeOH Me1 1465 1.100 3.309 8.408 0.2298 -0.3835 0.3174
489MeOH O2 1466 1.024 3.442 8.406 -0.3876 -0.7342 -0.5037
489MeOH H3 1467 0.928 3.424 8.427 -0.5239 -1.1726 -1.4618
490MeOH Me1 1468 4.520 3.707 4.431 -0.4821 0.5072 -0.1553
490MeOH O2 1469 4.616 3.657 4.322 -0.0721 0.8159 0.0631
490MeOH H3 1470 4.656 3.571 4.353 1.1644 1.6083 0.7477
491MeOH Me1 1471 0.139 4.315 3.747 -0.2518 0.1965 0.3255
491MeOH O2 1472 0.075 4.209 3.837 -0.4083 -0.6477 -0.7566
491MeOH H3 1473 -0.021 4.197 3.809 -0.7435 0.5778 -0.2063
492MeOH Me1 1474 2.788 4.962 7.650 0.3117 -0.4949 -0.5415
492MeOH O2 1475 2.647 4.929 7.701 0.2390 -0.2463 -0.5810
492MeOH H3 1476 2.623 4.993 7.774 0.8377 -0.9607 0.2715
493MeOH Me1 1477 1.887 0.370 6.896 -0.1483 -0.0638 0.1217
493MeOH O2 1478 1.885 0.370 7.049 0.1975 -0.3671 0.1181
493MeOH H3 1479 1.885 0.275 7.081 -2.6213 -0.5226 -0.1016
494MeOH Me1 1480 0.615 0.326 0.488 0.1276 -0.1847 0.1380
494MeOH O2 1481 0.532 0.267 0.374 -0.0366 -0.3557 0.3449
494MeOH H3 1482 0.467 0.336 0.343 -0.2530 -0.4877 0.5008
495MeOH Me1 1483 2.482 1.107 2.322 0.3861 -0.6055 0.8538
495MeOH O2 1484 2.444 0.959 2.313 -1.1978 -0.1674 -0.0747
495MeOH H3 1485 2.382 0.938 2.389 1.1572 -0.6850 1.8170
496MeOH Me1 1486 0.592 1.318 8.435 -0.0337 -0.3742 -0.5828
496MeOH O2 1487 0.727 1.391 8.438 -0.1560 -0.1612 -0.1725
496MeOH H3 1488 0.761 1.390 8.532 -1.0175 0.9617 0.1798
497MeOH Me1 1489 1.374 3.807 3.036 0.0685 -0.1279 -0.5129
497MeOH O2 1490 1.267 3.721 3.103 0.1125 0.4044 0.2514
497MeOH H3 1491 1.219 3.777 3.170 -1.7043 1.7614 -2.0558
498MeOH Me1 1492 1.926 4.297 4.877 0.3424 0.5416 -0.0634
498MeOH O2 1493 1.907 4.444 4.840 -0.1699 0.5189 0.1000
498MeOH H3 1494 1.833 4.450 4.773 -2.1403 0.6215 2.1647
499MeOH Me1 1495 4.519 4.414 29.238 -0.7155 -0.4083 0.4511
499MeOH O2 1496 4.571 4.432 29.381 0.5523 0.0982 -0.0606
499MeOH H3 1497 4.509 4.385 29.444 1.1438 0.2482 0.6543
500MeOH Me1 1498 3.256 1.608 29.953 -0.2076 0.1949 -0.0823
500MeOH O2 1499 3.197 1.467 29.945 -0.3271 0.2342 0.1087
500MeOH H3 1500 3.133 1.464 29.868 -0.7096 0.3255 0.4195
501MeOH Me1 1501 4.601 1.993 2.710 -0.2976 0.2135 -0.1630
501MeOH O2 1502 4.716 1.935 2.627 -0.2264 -0.1131 0.1570
501MeOH H3 1503 4.801 1.977 2.657 -0.3770 0.8388 -0.6670
502MeOH Me1 1504 0.757 3.385 6.740 0.1925 0.5808 0.3504
502MeOH O2 1505 0.896 3.336 6.780 -0.0164 -0.0867 0.2679
502MeOH H3 1506 0.950 3.414 6.811 0.1576 -0.4421 0.8896
503MeOH Me1 1507 3.368 0.779 3.235 -0.4138 0.5941 -0.5058
503MeOH O2 1508 3.507 0.777 3.299 -0.5278 0.1590 -0.2719
503MeOH H3 1509 3.502 0.723 3.383 -0.7859 -0.0110 -0.3950
504MeOH Me1 1510 2.134 3.202 1.704 -0.0961 0.2523 -0.6036
504MeOH O2 1511 2.091 3.343 1.747 0.0380 0.2052 -0.3147
504MeOH H3 1512 1.992 3.347 1.748 0.0128 0.8531 -2.1804
505MeOH Me1 1513 3.459 2.713 3.310 0.0511 -0.1061 -0.8362
505MeOH O2 1514 3.574 2.802 3.263 0.1703 0.3093 0.2231
505MeOH H3 1515 3.569 2.811 3.164 1.7716 -0.7520 0.0052
506MeOH Me1 1516 2.550 4.367 10.791 0.1314 -0.0407 -0.1887
506MeOH O2 1517 2.662 4.446 10.722 -0.3429 0.6062 -0.2295
506MeOH H3 1518 2.621 4.509 10.657 -0.6816 -0.4258 -1.0350
507MeOH Me1 1519 1.589 0.734 0.312 0.1401 0.2842 -0.0244
507MeOH O2 1520 1.676 0.706 0.189 -0.0047 0.0995 -0.0831
507MeOH H3 1521 1.661 0.611 0.161 0.9051 -0.3181 0.8099
508MeOH Me1 1522 4.863 2.606 2.176 -0.4121 0.1910 0.8393
508MeOH O2 1523 4.923 2.484 2.245 0.4347 -0.0277 -0.2628
508MeOH H3 1524 4.937 2.412 2.176 0.4117 0.4860 -0.8085
509MeOH Me1 1525 0.974 4.746 5.734 -0.0862 0.1709 -0.2869
509MeOH O2 1526 1.105 4.676 5.769 -0.3503 -0.1916 0.0229
509MeOH H3 1527 1.169 4.745 5.804 -0.5831 -0.5199 1.1261
510MeOH Me1 1528 0.276 1.907 7.086 0.3043 -0.1512 -0.1321
510MeOH O2 1529 0.424 1.887 7.055 0.4400 0.4770 0.0934
510MeOH H3 1530 0.455 1.962 6.995 -0.1948 -0.2665 -1.2005
511MeOH Me1 1531 1.794 4.124 4.489 -0.8043 0.1614 -0.1438
511MeOH O2 1532 1.750 3.983 4.450 -0.2148 -0.2208 0.5495
511MeOH H3 1533 1.656 3.987 4.417 -0.6724 -0.9815 1.7251
512MeOH Me1 1534 4.826 3.945 0.517 -0.2130 -0.3264 -0.4514
512MeOH O2 1535 4.682 3.958 0.566 -0.0923 -0.0686 -0.1603
512MeOH H3 1536 4.628 3.885 0.524 -0.3234 0.0735 -0.1103
513MeOH Me1 1537 2.489 4.549 0.754 0.3946 0.8940 -0.5604
513MeOH O2 1538 2.354 4.500 0.701 0.4546 0.3440 -0.2110
513MeOH H3 1539 2.297 4.580 0.680 0.4522 0.1364 -1.0308
514MeOH Me1 1540 2.081 4.064 5.771 0.1219 -0.4682 -0.1709
514MeOH O2 1541 2.065 4.172 5.878 -0.4256 -0.3601 -0.3601
514MeOH H3 1542 2.009 4.246 5.840 1.1298 0.3718 -1.3247
515MeOH Me1 1543 0.239 0.679 6.988 -0.2448 -0.2561 0.3813
515MeOH O2 1544 0.326 0.556 6.961 0.2816 0.1500 0.2156
515MeOH H3 1545 0.369 0.567 6.871 -1.0003 -0.2585 -0.4637
516MeOH Me1 1546 2.682 2.645 1.952 -0.3901 -0.7305 0.3136
516MeOH O2 1547 2.791 2.544 1.985 0.2143 -0.1014 0.2792
516MeOH H3 1548 2.880 2.589 1.977 -0.0767 0.6503 1.0738
517MeOH Me1 1549 0.693 4.433 6.480 0.1141 0.0495 0.0509
517MeOH O2 1550 0.655 4.577 6.517 0.1772 0.0782 0.0039
517MeOH H3 1551 0.733 4.636 6.498 -0.6316 0.4650 -2.5450
518MeOH Me1 1552 3.765 3.533 4.481 -0.1452 0.3312 0.0208
518MeOH O2 1553 3.649 3.597 4.558 -0.7641 -0.5746 -0.1340
518MeOH H3 1554 3.631 3.687 4.519 -1.0820 -0.5050 0.1672
519MeOH Me1 1555 3.857 0.865 3.418 0.3373 0.7114 -0.1950
519MeOH O2 1556 3.917 0.877 3.558 0.1366 -0.1081 -0.0317
519MeOH H3 1557 3.843 0.875 3.625 -0.0242 0.3057 -0.1972
520MeOH Me1 1558 1.477 2.016 5.875 0.2068 -0.1349 0.2134
520MeOH O2 1559 1.550 2.028 6.009 -0.1705 0.2076 0.3865
520MeOH H3 1560 1.594 1.941 6.030 -1.3014 -0.1601 1.3550
521MeOH Me1 1561 3.431 3.722 2.715 -0.1691 -0.2956 -0.2375
521MeOH O2 1562 3.395 3.847 2.634 0.4144 0.1934 0.2452
521MeOH H3 1563 3.439 3.840 2.544 0.3883 0.3405 0.2205
522MeOH Me1 1564 3.675 0.962 0.645 -0.1162 -1.0293 0.3564
522MeOH O2 1565 3.533 0.981 0.700 -0.1094 0.2656 -0.0407
522MeOH H3 1566 3.531 0.948 0.794 -0.2299 1.9657 0.5978
523MeOH Me1 1567 3.067 3.818 2.652 -0.1508 -0.0334 0.0635
523MeOH O2 1568 3.151 3.933 2.598 -0.1893 -0.2910 -0.5570
523MeOH H3 1569 3.248 3.907 2.602 -0.2252 -0.5093 -1.0858
524MeOH Me1 1570 1.704 0.826 9.296 0.3533 -0.3643 -0.2116
524MeOH O2 1571 1.552 0.815 9.288 0.3209 -0.0984 0.1480
524MeOH H3 1572 1.527 0.719 9.276 0.0562 -0.1986 1.3872
525MeOH Me1 1573 0.461 3.462 3.875 0.4647 0.2043 0.3228
525MeOH O2 1574 0.359 3.354 3.837 0.3223 0.6571 -0.6112
525MeOH H3 1575 0.272 3.399 3.817 0.4494 0.9689 -0.4761
526MeOH Me1 1576 0.798 2.813 6.531 0.0803 -0.0169 -0.1095
526MeOH O2 1577 0.758 2.958 6.500 0.1227 -0.0511 -0.3236
526MeOH H3 1578 0.766 2.972 6.401 -0.0784 -0.2609 -0.3714
527MeOH Me1 1579 1.196 3.076 0.657 0.0285 0.2147 0.1250
527MeOH O2 1580 1.159 2.984 0.540 0.0191 0.0261 0.2771
527MeOH H3 1581 1.230 2.991 0.470 0.8763 -1.3297 0.9675
528MeOH Me1 1582 0.148 1.811 6.721 -0.3526 -0.1456 0.2059
528MeOH O2 1583 0.292 1.847 6.683 -0.4328 0.2568 0.2797
528MeOH H3 1584 0.354 1.806 6.750 -0.3019 -0.2965 -0.1682
529MeOH Me1 1585 4.883 3.214 7.712 -0.2060 0.2422 0.0802
529MeOH O2 1586 4.776 3.116 7.666 0.1199 0.0208 -0.2063
529MeOH H3 1587 4.694 3.168 7.641 0.9029 0.1165 -2.8772
530MeOH Me1 1588 3.897 3.698 11.129 -0.1505 0.5957 0.1711
530MeOH O2 1589 3.944 3.724 11.273 0.0918 0.1641 0.1755
530MeOH H3 1590 4.043 3.714 11.276 0.2163 1.0712 -0.2378
531MeOH Me1 1591 3.327 1.886 4.431 -0.3257 0.6123 -0.2894
531MeOH O2 1592 3.221 1.895 4.541 -0.7449 -0.0888 -0.6314
531MeOH H3 1593 3.257 1.951 4.616 -1.7518 1.0626 -0.9752
532MeOH Me1 1594 1.694 1.587 7.320 -0.0884 -0.5889 0.0691
532MeOH O2 1595 1.645 1.670 7.439 0.0878 0.2383 -0.4382
532MeOH H3 1596 1.628 1.764 7.407 -1.1594 -0.2756 -1.3754
533MeOH Me1 1597 3.625 2.523 29.979 -0.7284 0.1931 0.5042
533MeOH O2 1598 3.526 2.509 29.864 -0.4362 0.7470 0.1806
533MeOH H3 1599 3.487 2.417 29.866 -1.5298 1.1939 0.5225
534MeOH Me1 1600 0.082 2.968 7.844 0.2153 -0.4659 -0.3157
534MeOH O2 1601 0.136 3.039 7.720 -0.2696 0.3943 -0.0482
534MeOH H3 1602 0.082 3.010 7.641 -0.1615 0.4348 -0.1371
535MeOH Me1 1603 0.571 0.938 6.543 0.4402 -0.4461 -0.4176
535MeOH O2 1604 0.473 0.822 6.525 -0.2373 0.0939 -0.2048
535MeOH H3 1605 0.434 0.828 6.432 -0.3373 0.2488 -0.1550
536MeOH Me1 1606 4.222 2.396 29.518 0.2582 0.4504 0.0385
536MeOH O2 1607 4.127 2.316 29.608 0.6582 0.0365 0.0967
536MeOH H3 1608 4.037 2.314 29.565 1.1759 -2.3205 -1.0044
537MeOH Me1 1609 2.113 0.967 6.467 -0.0990 -0.1209 0.2645
537MeOH O2 1610 2.256 1.022 6.474 -0.0024 -0.2900 -0.3135
537MeOH H3 1611 2.251 1.120 6.495 0.1776 -0.1161 -1.0567
538MeOH Me1 1612 3.999 3.372 9.131 0.0246 0.0627 0.4300
538MeOH O2 1613 3.992 3.518 9.084 -0.0527 -0.0090 0.2182
538MeOH H3 1614 4.056 3.571 9.140 -0.2718 0.1536 0.3134
539MeOH Me1 1615 1.952 3.025 7.686 0.1854 0.2672 0.1118
539MeOH O2 1616 1.959 3.173 7.723 -0.2011 0.3609 -0.1950
539MeOH H3 1617 1.872 3.216 7.698 -0.2756 0.1057 -0.3749
540MeOH Me1 1618 0.840 3.919 5.896 -0.0641 0.6009 0.1259
540MeOH O2 1619 0.899 4.060 5.906 -0.1916 0.6385 0.3184
540MeOH H3 1620 0.954 4.065 5.990 1.1911 0.0600 -0.5214
541MeOH Me1 1621 2.752 0.184 0.562 -0.3614 0.0785 -0.0418
541MeOH O2 1622 2.700 0.043 0.534 -0.0738 -0.1186 0.3922
541MeOH H3 1623 2.685 0.034 0.435 -2.9636 0.5978 0.6604
542MeOH Me1 1624 4.927 4.919 3.388 0.0216 0.3307 -0.0315
542MeOH O2 1625 4.882 4.939 3.533 0.1425 -0.0865 0.0648
542MeOH H3 1626 4.962 4.960 3.588 0.5457 -2.4756 0.4917
543MeOH Me1 1627 1.213 3.445 7.284 0.0445 -0.4620 0.6862
543MeOH O2 1628 1.233 3.596 7.297 0.5129 -0.4554 -0.1304
543MeOH H3 1629 1.329 3.614 7.320 0.4925 -0.6422 0.0915
544MeOH Me1 1630 1.771 4.041 3.658 -0.0112 -0.0934 0.3915
544MeOH O2 1631 1.682 4.139 3.734 -0.6657 -0.1885 -0.2355
544MeOH H3 1632 1.726 4.160 3.822 -0.0449 1.8276 -0.9767
545MeOH Me1 1633 2.943 0.719 3.278 -0.3948 0.3355 0.0092
545MeOH O2 1634 2.987 0.799 3.402 -0.2524 -0.0729 0.2263
545MeOH H3 1635 3.010 0.892 3.373 1.1148 -0.3745 0.2798
546MeOH Me1 1636 2.762 1.525 6.659 0.4375 -0.4485 0.1278
546MeOH O2 1637 2.895 1.448 6.658 0.6536 -0.0694 -0.4137
546MeOH H3 1638 2.876 1.351 6.674 1.2157 0.2193 2.4456
547MeOH Me1 1639 3.642 0.080 1.453 -0.2461 -0.4665 -0.0791
547MeOH O2 1640 3.716 0.053 1.322 0.1112 0.0182 0.0224
547MeOH H3 1641 3.721 0.139 1.271 0.8316 0.3620 0.6437
548MeOH Me1 1642 0.472 4.254 3.853 0.3216 0.9962 -0.4902
548MeOH O2 1643 0.496 4.251 3.702 0.0278 -0.4782 -0.5198
548MeOH H3 1644 0.473 4.340 3.664 2.3629 0.0197 -0.9483
549MeOH Me1 1645 2.857 2.791 8.443 -0.1084 -0.2370 0.1493
549MeOH O2 1646 2.801 2.933 8.457 -0.2065 -0.1836 -0.7443
549MeOH H3 1647 2.771 2.946 8.551 -2.3142 -0.3802 -1.3217
550MeOH Me1 1648 0.943 4.502 8.781 0.2568 -0.2187 0.1136
550MeOH O2 1649 1.046 4.610 8.816 -0.0888 0.2702 -0.3726
550MeOH H3 1650 1.088 4.587 8.903 -0.2479 0.9754 -0.1023
551MeOH Me1 1651 3.146 2.556 2.372 -0.0555 0.1419 0.3210
551MeOH O2 1652 3.066 2.497 2.255 0.0520 0.1355 0.2533
551MeOH H3 1653 3.090 2.400 2.246 -0.7614 -0.1509 1.0035
552MeOH Me1 1654 4.045 3.703 5.593 0.8470 -0.0934 0.0180
552MeOH O2 1655 3.937 3.658 5.494 0.4491 -0.2035 0.4989
552MeOH H3 1656 3.974 3.666 5.401 0.0988 -0.3573 0.3458
553MeOH Me1 1657 0.112 1.443 1.301 -0.1596 -0.1170 -0.0106
553MeOH O2 1658 0.164 1.310 1.249 0.4026 0.2238 -0.3281
553MeOH H3 1659 0.263 1.318 1.235 0.7773 -0.0092 1.8577
554MeOH Me1 1660 3.086 0.839 7.138 0.3341 -0.4409 -0.3665
554MeOH O2 1661 3.164 0.959 7.191 0.0968 -0.1408 -0.6858
554MeOH H3 1662 3.238 0.925 7.250 -1.1767 0.2321 1.2194
555MeOH Me1 1663 0.259 3.686 3.067 -0.5136 0.1033 -0.1486
555MeOH O2 1664 0.261 3.542 3.015 -0.1585 0.1487 -0.2620
555MeOH H3 1665 0.345 3.498 3.048 0.2293 0.4992 -0.7696
556MeOH Me1 1666 2.869 4.143 8.071 0.2225 -0.5252 -0.0257
556MeOH O2 1667 3.018 4.150 8.107 0.1924 0.0678 0.0250
556MeOH H3 1668 3.045 4.062 8.144 0.0041 0.8446 2.1323
557MeOH Me1 1669 1.894 2.641 8.378 0.0368 -0.1996 0.1271
557MeOH O2 1670 1.934 2.651 8.525 -0.7027 0.0720 0.3145
557MeOH H3 1671 2.021 2.604 8.537 -0.7500 0.1164 0.8361
558MeOH Me1 1672 3.693 0.020 7.627 -0.0293 -0.2955 0.6567
558MeOH O2 1673 3.544 0.021 7.664 -0.1784 0.5554 0.0457
558MeOH H3 1674 3.533 0.073 7.749 -0.2567 0.7654 -0.0912
559MeOH Me1 1675 0.192 3.227 10.854 -0.0553 -0.1099 0.4213
559MeOH O2 1676 0.160 3.287 10.716 0.0536 -0.0941 0.4025
559MeOH H3 1677 0.172 3.386 10.722 2.1585 -0.2652 -0.1530
560MeOH Me1 1678 1.828 0.421 0.180 -0.2436 0.6816 0.4200
560MeOH O2 1679 1.677 0.434 0.160 -0.2191 -0.3765 -0.4801
560MeOH H3 1680 1.631 0.396 0.241 -0.3906 0.9189 0.0450
561MeOH Me1 1681 4.429 1.643 2.390 -0.0613 0.3424 -0.3575
561MeOH O2 1682 4.481 1.782 2.427 0.0216 0.0857 0.5518
561MeOH H3 1683 4.581 1.781 2.423 -0.0099 0.6094 -1.6998
562MeOH Me1 1684 1.339 2.849 1.493 -0.2025 0.1805 -0.7892
562MeOH O2 1685 1.231 2.940 1.551 0.0715 0.2019 -0.3081
562MeOH H3 1686 1.242 2.944 1.651 0.0854 -0.3516 -0.2851
563MeOH Me1 1687 4.099 4.011 3.422 0.2772 0.1394 0.2171
563MeOH O2 1688 4.188 3.901 3.364 0.1177 0.0507 0.1415
563MeOH H3 1689 4.183 3.821 3.423 0.4510 0.2289 0.4191
564MeOH Me1 1690 1.491 1.799 7.061 -0.2436 -0.1988 -0.3662
564MeOH O2 1691 1.604 1.754 6.967 0.6000 0.4984 0.2949
564MeOH H3 1692 1.579 1.781 6.874 -0.1036 -1.6163 -0.1777
565MeOH Me1 1693 2.699 2.223 0.528 -0.3245 0.1713 0.2164
565MeOH O2 1694 2.570 2.240 0.609 0.1481 0.4284 0.9215
565MeOH H3 1695 2.538 2.149 0.637 0.3232 0.5177 1.4209
566MeOH Me1 1696 3.966 3.674 3.929 -0.4572 -0.5623 0.3358
566MeOH O2 1697 3.871 3.667 3.810 -0.6025 -0.1180 0.4232
566MeOH H3 1698 3.834 3.574 3.804 0.2985 -0.4342 -0.5561
567MeOH Me1 1699 2.252 4.152 4.848 0.8479 0.4388 1.0567
567MeOH O2 1700 2.194 4.039 4.932 0.0145 -0.1570 -0.2869
567MeOH H3 1701 2.147 3.975 4.872 -1.4387 1.4703 -0.9484
568MeOH Me1 1702 3.987 0.527 7.083 -0.1679 -0.3636 0.1956
568MeOH O2 1703 3.882 0.579 6.985 -0.1570 -0.4655 0.1285
568MeOH H3 1704 3.821 0.504 6.960 1.3032 -1.1329 -1.7102
569MeOH Me1 1705 0.666 2.064 5.050 0.6608 -0.1971 0.1005
569MeOH O2 1706 0.606 2.131 5.174 0.1396 -0.4338 -0.0252
569MeOH H3 1707 0.673 2.127 5.248 -0.8408 -2.3040 0.8594
570MeOH Me1 1708 1.557 4.839 6.131 0.4175 -0.1657 -0.1408
570MeOH O2 1709 1.656 4.731 6.175 0.5602 -0.1411 -0.4007
570MeOH H3 1710 1.723 4.772 6.236 1.1715 0.0478 -1.1752
571MeOH Me1 1711 2.913 1.982 7.177 -0.3069 0.2593 0.6285
571MeOH O2 1712 2.897 1.851 7.255 -0.0487 -0.2430 -0.1563
571MeOH H3 1713 2.980 1.797 7.242 1.2856 1.2042 1.7621
572MeOH Me1 1714 4.483 3.730 10.057 0.4323 0.6266 -0.0250
572MeOH O2 1715 4.500 3.745 10.208 -0.4100 0.3507 0.1009
572MeOH H3 1716 4.409 3.750 10.250 -0.6668 2.4153 -0.6046
573MeOH Me1 1717 1.576 4.591 10.942 -0.2189 0.0337 0.8345
573MeOH O2 1718 1.498 4.463 10.912 -0.0185 0.0539 0.2223
573MeOH H3 1719 1.420 4.486 10.854 0.1868 0.1589 -0.0129
574MeOH Me1 1720 1.742 1.169 5.202 -0.1479 0.4297 0.0667
574MeOH O2 1721 1.794 1.162 5.058 -0.0178 -0.2066 0.1404
574MeOH H3 1722 1.803 1.066 5.032 -1.3909 -0.3202 0.0605
575MeOH Me1 1723 3.697 1.747 3.890 0.4116 0.5239 0.0107
575MeOH O2 1724 3.823 1.813 3.833 0.1760 0.3464 -0.7270
575MeOH H3 1725 3.901 1.786 3.889 0.0008 2.8706 0.8764
576MeOH Me1 1726 0.064 2.205 4.095 0.8986 -0.2854 -0.2331
576MeOH O2 1727 0.016 2.234 3.952 0.2232 0.3246 0.1143
576MeOH H3 1728 -0.004 2.332 3.945 1.7442 0.6541 0.1671
577MeOH Me1 1729 0.176 3.813 2.009 0.3335 0.4870 0.1853
577MeOH O2 1730 0.121 3.776 2.147 -0.6187 1.1191 -0.0176
577MeOH H3 1731 0.025 3.748 2.136 -0.2749 0.1732 -0.6936
578MeOH Me1 1732 2.847 0.029 0.183 -0.0738 -0.5761 0.7096
578MeOH O2 1733 2.715 0.070 0.249 -0.2662 0.0030 -0.0299
578MeOH H3 1734 2.680 0.152 0.202 -0.0083 -0.2572 -0.6905
579MeOH Me1 1735 0.909 0.547 0.446 -0.1049 -0.1256 -0.0161
579MeOH O2 1736 1.017 0.645 0.493 -0.2731 -0.0653 0.2423
579MeOH H3 1737 1.105 0.616 0.456 -0.0991 -0.2542 0.7931
580MeOH Me1 1738 3.653 2.566 5.306 -0.4351 -0.3160 0.5585
580MeOH O2 1739 3.630 2.415 5.294 -0.2528 -0.2851 -0.2284
580MeOH H3 1740 3.713 2.373 5.259 -0.3583 0.0518 -0.9180
581MeOH Me1 1741 2.598 1.160 7.767 1.1226 -0.2516 0.8824
581MeOH O2 1742 2.471 1.122 7.843 -0.0124 0.2357 -0.7214
581MeOH H3 1743 2.494 1.054 7.913 -1.2469 -0.2454 -0.7380
582MeOH Me1 1744 0.502 1.571 0.810 -0.2249 -0.1875 0.4232
582MeOH O2 1745 0.511 1.446 0.898 -0.0254 -0.0964 0.5336
582MeOH H3 1746 0.589 1.391 0.868 1.3942 1.0492 1.9499
583MeOH Me1 1747 2.888 1.420 4.634 -0.3295 -0.0676 -0.8273
583MeOH O2 1748 2.816 1.547 4.588 -0.3800 0.3390 0.3635
583MeOH H3 1749 2.884 1.612 4.555 -0.4612 0.4501 0.4122
584MeOH Me1 1750 4.769 3.725 5.422 -0.4199 0.5784 0.0025
584MeOH O2 1751 4.810 3.848 5.341 -0.2084 0.2674 -0.3649
584MeOH H3 1752 4.855 3.913 5.402 -1.9814 1.2949 -0.0953
585MeOH Me1 1753 0.201 0.857 3.193 0.2161 0.1875 -0.0913
585MeOH O2 1754 0.330 0.782 3.226 0.0643 0.1665 0.4613
585MeOH H3 1755 0.403 0.818 3.168 0.0203 -0.7908 -0.1970
586MeOH Me1 1756 0.935 4.516 0.148 0.3742 -0.3264 0.3033
586MeOH O2 1757 0.954 4.373 0.199 -0.2618 -0.4989 0.0741
586MeOH H3 1758 0.943 4.310 0.123 -0.9476 -0.3555 0.0531
587MeOH Me1 1759 4.510 5.058 5.849 -0.4057 -0.2744 -0.4327
587MeOH O2 1760 4.536 4.989 5.983 -0.0166 0.4465 -0.1319
587MeOH H3 1761 4.631 4.958 5.985 1.2437 3.9234 1.3559
588MeOH Me1 1762 4.969 1.171 3.861 -0.0241 0.2481 -0.4919
588MeOH O2 1763 4.917 1.039 3.803 -0.0781 0.1112 -0.0985
588MeOH H3 1764 4.856 1.060 3.727 -1.1992 -0.0461 0.7284
589MeOH Me1 1765 1.192 4.298 8.056 0.1798 -0.6654 0.0550
589MeOH O2 1766 1.208 4.339 8.203 0.0692 0.3281 -0.1963
589MeOH H3 1767 1.151 4.419 8.220 1.5241 1.6480 -1.2544
590MeOH Me1 1768 0.219 0.728 10.772 -0.2458 0.7682 0.0934
590MeOH O2 1769 0.067 0.713 10.763 -0.1135 -0.1736 -0.7492
590MeOH H3 1770 0.034 0.772 10.690 0.0927 -1.6840 -2.1175
591MeOH Me1 1771 4.888 0.661 5.949 -0.4223 0.8380 -0.3386
591MeOH O2 1772 4.748 0.702 5.901 -0.5124 0.1587 -0.6589
591MeOH H3 1773 4.684 0.694 5.977 -0.5995 0.1027 -0.7360
592MeOH Me1 1774 4.399 2.567 5.166 -0.2092 -0.1123 -0.2159
592MeOH O2 1775 4.343 2.446 5.240 0.1647 -0.1359 0.0270
592MeOH H3 1776 4.249 2.466 5.268 0.2978 -0.1485 0.4985
593MeOH Me1 1777 4.325 3.579 7.040 0.3290 0.3016 -0.2283
593MeOH O2 1778 4.253 3.689 6.961 -0.3926 -0.2199 -0.3062
593MeOH H3 1779 4.184 3.730 7.020 -1.0782 -1.0236 -0.5227
594MeOH Me1 1780 1.182 3.684 9.000 -0.0194 -0.2682 -0.2532
594MeOH O2 1781 1.147 3.776 8.882 -0.0102 0.2020 0.1084
594MeOH H3 1782 1.230 3.790 8.828 0.1046 0.8048 0.4371
595MeOH Me1 1783 0.096 1.194 29.230 0.0673 -0.3132 0.6385
595MeOH O2 1784 0.188 1.315 29.248 0.0877 -0.2196 -0.0765
595MeOH H3 1785 0.131 1.396 29.261 0.0978 -0.4551 1.6370
596MeOH Me1 1786 3.954 0.651 0.488 0.5733 -0.4610 -0.3475
596MeOH O2 1787 4.007 0.793 0.507 0.0824 -0.2359 -0.6473
596MeOH H3 1788 4.104 0.788 0.531 -0.2516 0.0715 0.8683
597MeOH Me1 1789 2.085 0.021 6.683 0.2311 0.0808 -0.2307
597MeOH O2 1790 2.032 0.117 6.577 0.3132 0.1467 -0.2130
597MeOH H3 1791 2.095 0.194 6.569 0.4380 0.0378 -0.2792
598MeOH Me1 1792 2.773 2.679 0.443 0.2514 -0.9075 -0.1354
598MeOH O2 1793 2.762 2.786 0.334 0.2404 -0.1075 0.6408
598MeOH H3 1794 2.702 2.752 0.262 -1.6893 1.3384 1.4590
599MeOH Me1 1795 4.909 2.812 1.892 -0.0832 0.1027 0.5548
599MeOH O2 1796 4.937 2.696 1.796 0.5458 0.5516 0.1909
599MeOH H3 1797 4.948 2.734 1.704 0.4366 0.9104 0.3228
600MeOH Me1 1798 2.396 0.414 8.745 -0.5659 -0.3829 -0.1826
600MeOH O2 1799 2.443 0.531 8.659 0.2573 -0.5876 -0.0177
600MeOH H3 1800 2.371 0.555 8.594 1.2093 -1.3155 -1.3995
601MeOH Me1 1801 3.347 5.049 9.361 -0.1677 0.2820 0.0718
601MeOH O2 1802 3.372 4.936 9.262 0.4982 0.0477 0.5042
601MeOH H3 1803 3.456 4.888 9.289 0.4456 0.2544 1.0410
602MeOH Me1 1804 4.881 0.204 29.944 -0.3513 -0.4745 0.0880
602MeOH O2 1805 4.802 0.321 30.004 0.2107 -0.2559 0.4116
602MeOH H3 1806 4.749 0.364 29.932 -0.9414 -0.8993 0.8557
603MeOH Me1 1807 1.557 4.618 4.318 0.1924 -0.6011 -0.3719
603MeOH O2 1808 1.601 4.492 4.393 0.6053 -0.1976 0.0690
603MeOH H3 1809 1.701 4.485 4.387 0.4785 -1.0129 -1.7355
604MeOH Me1 1810 3.337 1.492 10.346 0.3627 0.1835 0.5002
604MeOH O2 1811 3.473 1.491 10.416 0.4526 -0.1050 0.3225
604MeOH H3 1812 3.537 1.545 10.362 -0.0290 1.5187 1.3096
605MeOH Me1 1813 4.905 0.616 7.621 -0.5311 -0.4026 0.4459
605MeOH O2 1814 5.032 0.535 7.593 -0.2704 0.1041 0.1511
605MeOH H3 1815 5.017 0.481 7.510 0.2399 1.0576 -0.5809
606MeOH Me1 1816 0.965 0.231 3.334 0.5351 0.3976 -0.5190
606MeOH O2 1817 0.898 0.292 3.458 0.4575 -0.2481 -0.2389
606MeOH H3 1818 0.928 0.241 3.538 1.0283 -0.1787 -0.3991
607MeOH Me1 1819 4.949 1.039 0.649 -0.1604 0.3086 -0.1912
607MeOH O2 1820 4.984 0.906 0.581 -0.0786 0.2714 -0.0815
607MeOH H3 1821 5.081 0.906 0.559 0.6707 -0.9799 2.8257
608MeOH Me1 1822 0.149 3.561 4.692 0.3809 0.3901 -0.6307
608MeOH O2 1823 0.301 3.542 4.697 0.3722 0.5011 0.2315
608MeOH H3 1824 0.324 3.459 4.646 0.5931 -0.2920 1.5788
609MeOH Me1 1825 4.634 3.570 6.618 -0.3476 -0.3357 0.2754
609MeOH O2 1826 4.574 3.633 6.744 0.2640 0.8655 -0.0216
609MeOH H3 1827 4.480 3.662 6.724 -0.1820 -0.2372 0.4105
610MeOH Me1 1828 5.099 4.457 7.768 -0.2862 -0.3733 -0.1796
610MeOH O2 1829 4.947 4.450 7.754 -0.3092 -0.0886 -0.0727
610MeOH H3 1830 4.909 4.541 7.774 -0.0361 0.2719 -1.1438
611MeOH Me1 1831 2.114 0.651 1.084 -0.0774 0.3928 0.2766
611MeOH O2 1832 2.223 0.740 1.025 0.1825 -0.0597 0.0707
611MeOH H3 1833 2.312 0.707 1.057 -0.0166 0.8546 1.6198
612MeOH Me1 1834 2.803 1.210 10.048 -0.2762 -0.0667 0.1692
612MeOH O2 1835 2.850 1.170 9.907 0.3077 0.3591 0.2365
612MeOH H3 1836 2.907 1.089 9.915 -1.9173 -1.3322 0.0118
613MeOH Me1 1837 3.494 3.487 7.755 0.2417 -0.1240 0.0494
613MeOH O2 1838 3.557 3.611 7.691 -0.2013 0.2220 0.2770
613MeOH H3 1839 3.544 3.688 7.753 -0.2441 0.0046 0.5427
614MeOH Me1 1840 2.956 3.965 5.160 0.1972 0.1131 0.3305
614MeOH O2 1841 2.816 4.020 5.132 0.4832 0.3522 -0.6675
614MeOH H3 1842 2.801 4.098 5.193 -0.2300 -0.3094 0.0287
615MeOH Me1 1843 1.897 1.056 9.086 -0.3227 0.4494 -0.2177
615MeOH O2 1844 1.941 1.028 8.943 0.1348 0.5753 -0.1017
615MeOH H3 1845 1.881 1.078 8.880 0.6298 1.0170 -0.2357
616MeOH Me1 1846 4.138 3.934 0.564 0.2624 0.5026 0.3486
616MeOH O2 1847 4.044 4.042 0.508 -0.2903 -0.1133 0.0290
616MeOH H3 1848 3.950 4.018 0.534 -0.3392 -1.2502 -1.0837
617MeOH Me1 1849 4.578 4.439 6.178 -0.6530 -0.0351 -0.0443
617MeOH O2 1850 4.582 4.389 6.033 0.5367 0.3643 -0.1583
617MeOH H3 1851 4.610 4.292 6.034 -2.5254 -0.6087 0.1123
618MeOH Me1 1852 3.322 1.186 6.896 0.1807 0.0332 -0.0985
618MeOH O2 1853 3.300 1.335 6.924 -0.1752 0.0228 -0.2383
618MeOH H3 1854 3.211 1.361 6.887 0.0827 -0.0568 -0.9187
619MeOH Me1 1855 4.687 0.465 10.283 0.7250 0.5440 -0.5471
619MeOH O2 1856 4.726 0.325 10.330 0.1363 0.5691 0.0406
619MeOH H3 1857 4.824 0.324 10.350 -0.0417 0.4678 0.9316
620MeOH Me1 1858 4.862 4.542 3.455 0.0274 -0.5925 0.4115
620MeOH O2 1859 4.745 4.493 3.370 0.0026 0.1981 0.0097
620MeOH H3 1860 4.668 4.472 3.430 0.2879 -1.1336 -0.0614
621MeOH Me1 1861 4.746 1.471 4.336 -0.0370 -0.5209 0.4786
621MeOH O2 1862 4.773 1.620 4.357 -0.4433 -0.3838 0.0538
621MeOH H3 1863 4.749 1.669 4.274 0.5703 -0.8362 -0.5305
622MeOH Me1 1864 3.168 0.400 0.735 -0.3714 0.0000 0.3564
622MeOH O2 1865 3.206 0.452 0.874 0.4198 -0.2169 0.2250
622MeOH H3 1866 3.209 0.374 0.937 1.7367 -0.4669 -0.1037
623MeOH Me1 1867 0.064 2.543 5.216 -0.2540 -0.5308 0.6360
623MeOH O2 1868 0.051 2.622 5.346 0.4501 0.2642 0.2332
623MeOH H3 1869 0.010 2.711 5.325 1.0645 0.4528 -0.1946
624MeOH Me1 1870 1.030 0.783 4.071 -0.0753 0.3940 0.1372
624MeOH O2 1871 1.081 0.837 3.937 -0.2520 -0.0906 -0.1267
624MeOH H3 1872 1.010 0.821 3.867 -1.3795 1.8091 0.5032
625MeOH Me1 1873 4.340 4.506 4.226 -0.1549 0.0472 -0.0273
625MeOH O2 1874 4.373 4.653 4.200 -0.6358 0.2039 0.2439
625MeOH H3 1875 4.314 4.710 4.259 -1.9334 -0.0421 -0.7589
626MeOH Me1 1876 4.632 2.165 29.420 0.2929 0.0404 -0.0271
626MeOH O2 1877 4.573 2.282 29.498 -0.3624 -0.3491 0.0678
626MeOH H3 1878 4.571 2.362 29.439 -0.0446 -0.1019 0.3819
627MeOH Me1 1879 4.301 3.520 3.217 -0.4333 0.0002 -0.2311
627MeOH O2 1880 4.223 3.448 3.328 -0.0448 -0.2514 -0.1195
627MeOH H3 1881 4.194 3.359 3.293 1.6937 -1.1074 0.5012
628MeOH Me1 1882 2.813 1.531 0.026 0.5724 0.6418 0.2543
628MeOH O2 1883 2.790 1.589 0.166 -0.3651 0.9155 -0.0054
628MeOH H3 1884 2.860 1.553 0.227 -0.2922 1.6557 0.3578
629MeOH Me1 1885 0.615 3.694 0.726 -0.1023 -0.4846 -0.1699
629MeOH O2 1886 0.751 3.652 0.671 0.2997 -0.1599 0.5630
629MeOH H3 1887 0.736 3.591 0.593 0.8650 -0.6843 0.8569
630MeOH Me1 1888 1.027 5.116 7.447 0.2629 0.1784 0.1624
630MeOH O2 1889 1.077 4.971 7.438 -0.3593 -0.0359 0.1052
630MeOH H3 1890 1.035 4.928 7.359 1.5479 1.0367 -1.5803
631MeOH Me1 1891 0.190 3.496 6.107 -0.9160 0.1975 -0.3789
631MeOH O2 1892 0.126 3.392 6.015 -0.8918 0.0193 -0.2191
631MeOH H3 1893 0.166 3.302 6.035 -0.7903 0.0856 -0.1391
632MeOH Me1 1894 1.497 3.849 5.725 -0.6939 -0.3197 -0.1002
632MeOH O2 1895 1.559 3.717 5.772 -0.3167 0.1034 0.6012
632MeOH H3 1896 1.571 3.658 5.692 -1.3461 -0.7843 1.0798
633MeOH Me1 1897 1.915 2.004 7.585 0.4340 -0.3236 0.0740
633MeOH O2 1898 1.889 2.155 7.588 0.2120 -0.3633 0.2529
633MeOH H3 1899 1.849 2.178 7.676 -0.8804 -0.6937 -0.1486
634MeOH Me1 1900 2.546 1.494 10.634 -0.7955 0.1688 -0.7765
634MeOH O2 1901 2.553 1.646 10.636 -0.0628 0.1309 0.0429
634MeOH H3 1902 2.470 1.683 10.595 0.2735 0.7495 -0.1084
635MeOH Me1 1903 2.660 3.814 8.288 -0.2118 0.2356 -0.5722
635MeOH O2 1904 2.806 3.835 8.329 -0.4360 0.6185 0.0451
635MeOH H3 1905 2.864 3.812 8.251 -0.0762 1.4452 0.0580
636MeOH Me1 1906 3.889 4.967 10.870 -0.5993 -0.4602 -0.3328
636MeOH O2 1907 3.777 4.976 10.765 -0.6200 -0.2208 -0.2903
636MeOH H3 1908 3.701 5.028 10.805 -0.8424 -0.7846 0.0271
637MeOH Me1 1909 2.988 2.682 29.626 0.6225 0.2571 1.1423
637MeOH O2 1910 2.886 2.778 29.562 0.5653 -0.3711 0.2778
637MeOH H3 1911 2.918 2.800 29.470 0.7374 -0.8976 0.2054
638MeOH Me1 1912 2.862 4.696 5.018 0.2247 -0.0542 -0.2601
638MeOH O2 1913 2.881 4.641 5.159 -0.1027 0.3271 -0.0632
638MeOH H3 1914 2.979 4.639 5.180 0.2118 -2.8398 -1.1760
639MeOH Me1 1915 2.809 0.876 4.521 -0.0346 0.2938 -0.7138
639MeOH O2 1916 2.929 0.970 4.499 0.4027 -0.1602 -0.2934
639MeOH H3 1917 2.910 1.027 4.419 -0.0326 1.3905 0.8669
640MeOH Me1 1918 2.922 4.894 3.339 0.0960 -0.1535 0.0692
640MeOH O2 1919 3.032 4.994 3.376 -0.1995 0.1776 0.0421
640MeOH H3 1920 3.018 5.077 3.322 0.8202 -0.6864 -1.6042
641MeOH Me1 1921 1.656 4.685 5.148 -0.3389 0.0634 0.3304
641MeOH O2 1922 1.721 4.800 5.224 0.9672 -0.2317 -0.3074
641MeOH H3 1923 1.695 4.793 5.321 -1.1408 1.9157 -0.6118
642MeOH Me1 1924 3.626 2.489 10.633 0.0902 -0.0201 0.2590
642MeOH O2 1925 3.740 2.395 10.673 0.1778 0.0174 0.0984
642MeOH H3 1926 3.827 2.441 10.654 0.1355 0.0897 0.0790
643MeOH Me1 1927 4.637 0.056 3.221 0.3645 0.1838 -0.2650
643MeOH O2 1928 4.593 0.190 3.280 0.6235 -0.0386 0.4391
643MeOH H3 1929 4.494 0.189 3.292 0.2543 1.0303 -2.0252
644MeOH Me1 1930 1.824 0.703 6.277 -0.3420 -0.6659 -0.1417
644MeOH O2 1931 1.814 0.688 6.126 0.2118 -0.1934 -0.2368
644MeOH H3 1932 1.872 0.613 6.097 0.7610 0.2576 -0.3255
645MeOH Me1 1933 1.517 2.899 6.985 0.2916 -0.6567 0.7577
645MeOH O2 1934 1.662 2.933 6.950 0.0765 -0.5009 0.0034
645MeOH H3 1935 1.668 3.031 6.931 -0.2915 -0.6380 -0.8877
646MeOH Me1 1936 3.178 1.270 8.532 -0.1541 -0.4337 -0.0940
646MeOH O2 1937 3.137 1.125 8.559 0.0258 -0.4970 -0.1642
646MeOH H3 1938 3.046 1.125 8.600 -0.2404 -0.6652 -0.7482
647MeOH Me1 1939 3.173 1.118 10.329 0.1401 0.0394 -0.5026
647MeOH O2 1940 3.038 1.186 10.300 0.4534 0.9608 0.0985
647MeOH H3 1941 2.983 1.184 10.383 -0.5389 -1.8513 -0.5076
648MeOH Me1 1942 0.532 0.971 8.819 -0.3805 -0.4560 0.8881
648MeOH O2 1943 0.473 1.049 8.701 -0.0290 0.2806 1.1951
648MeOH H3 1944 0.425 1.129 8.736 -1.9715 -1.0716 1.7313
649MeOH Me1 1945 1.194 1.210 1.752 0.4789 -0.7423 -0.0974
649MeOH O2 1946 1.288 1.328 1.775 -0.8052 0.2776 0.0473
649MeOH H3 1947 1.377 1.307 1.734 -0.1280 0.7077 1.2279
650MeOH Me1 1948 3.753 0.850 6.343 -0.4743 0.0667 0.0186
650MeOH O2 1949 3.628 0.762 6.333 -0.1230 -0.4223 0.0879
650MeOH H3 1950 3.597 0.741 6.426 -0.9141 0.7872 0.1191
651MeOH Me1 1951 2.045 1.274 11.096 0.3419 0.0283 0.1278
651MeOH O2 1952 1.956 1.155 11.058 0.3473 0.1030 -0.1176
651MeOH H3 1953 2.015 1.075 11.042 0.3645 0.1846 -0.4597
652MeOH Me1 1954 0.893 4.667 9.820 0.1423 0.1921 0.1599
652MeOH O2 1955 0.913 4.807 9.763 -0.1174 0.3998 0.5747
652MeOH H3 1956 0.893 4.874 9.835 -0.3802 0.1539 0.7304
653MeOH Me1 1957 1.054 3.228 9.476 0.5689 -0.0477 -0.2373
653MeOH O2 1958 1.192 3.163 9.487 0.5359 -0.1139 -0.2187
653MeOH H3 1959 1.248 3.217 9.550 0.6185 -0.0296 -0.3655
654MeOH Me1 1960 4.623 4.051 7.671 0.4587 0.4307 -0.8290
654MeOH O2 1961 4.561 3.913 7.647 0.2000 0.4524 -0.3168
654MeOH H3 1962 4.618 3.864 7.580 -0.3952 0.4470 -0.8265
655MeOH Me1 1963 3.328 0.574 1.342 -0.4268 0.1112 -0.3460
655MeOH O2 1964 3.388 0.709 1.300 -0.7639 0.5734 0.6185
655MeOH H3 1965 3.418 0.757 1.382 -0.1980 -0.2836 0.9356
656MeOH Me1 1966 4.647 2.435 1.860 0.2113 -0.0154 -0.0719
656MeOH O2 1967 4.694 2.522 1.743 -0.0229 0.4768 0.1987
656MeOH H3 1968 4.778 2.568 1.770 0.8936 -0.8491 -0.3198
657MeOH Me1 1969 1.281 -0.041 9.947 -0.3995 0.0052 0.3058
657MeOH O2 1970 1.383 0.071 9.925 -0.2568 -0.1762 0.0230
657MeOH H3 1971 1.455 0.062 9.994 -0.5005 0.1644 0.3307
658MeOH Me1 1972 0.828 1.986 0.618 -0.2554 0.7819 0.3733
658MeOH O2 1973 0.847 2.059 0.752 -0.1637 0.3245 0.6115
658MeOH H3 1974 0.867 2.155 0.733 -2.1048 0.8488 0.9433
659MeOH Me1 1975 1.314 2.776 7.263 -0.1255 -0.0965 0.1812
659MeOH O2 1976 1.251 2.847 7.143 0.2365 0.4074 0.2857
659MeOH H3 1977 1.151 2.846 7.154 0.2694 2.1397 0.9825
660MeOH Me1 1978 2.019 4.664 1.591 0.0159 0.2363 0.1915
660MeOH O2 1979 1.980 4.560 1.486 0.1255 0.3996 -0.0135
660MeOH H3 1980 1.950 4.477 1.534 -1.4837 0.8735 -0.1275
661MeOH Me1 1981 1.266 2.482 3.229 -0.2259 -0.2306 -0.2857
661MeOH O2 1982 1.340 2.349 3.247 -0.1434 -0.1190 0.2152
661MeOH H3 1983 1.311 2.309 3.334 -0.1073 0.1803 0.3670
662MeOH Me1 1984 4.395 1.946 2.110 -0.3214 -0.1502 0.6640
662MeOH O2 1985 4.482 2.023 2.011 -0.2134 -1.2558 -0.1135
662MeOH H3 1986 4.424 2.087 1.961 0.1136 -0.6530 0.2682
663MeOH Me1 1987 3.805 3.689 1.275 -0.1053 -0.4564 0.1757
663MeOH O2 1988 3.802 3.614 1.142 -0.1320 -0.2913 0.0834
663MeOH H3 1989 3.709 3.581 1.126 -0.0997 -0.4045 0.1343
664MeOH Me1 1990 4.010 2.364 3.010 0.7529 0.2104 0.7238
664MeOH O2 1991 3.957 2.221 3.030 -0.2359 0.4597 -0.0434
664MeOH H3 1992 3.977 2.168 2.948 -0.4417 0.7063 -0.2575
665MeOH Me1 1993 1.639 3.418 9.911 -0.3818 -0.5525 0.7288
665MeOH O2 1994 1.723 3.361 10.025 0.2883 0.0258 0.5281
665MeOH H3 1995 1.751 3.268 10.001 1.3254 0.3992 0.2307
666MeOH Me1 1996 3.959 3.974 4.309 -0.2186 -0.1465 0.0713
666MeOH O2 1997 3.956 3.863 4.204 -0.3734 -0.0071 -0.0715
666MeOH H3 1998 3.949 3.905 4.114 1.5647 0.2174 -0.1675
667MeOH Me1 1999 4.202 1.489 7.914 0.3911 0.1780 -0.1059
667MeOH O2 2000 4.077 1.577 7.899 0.2484 0.0180 0.1491
667MeOH H3 2001 3.998 1.517 7.885 0.2628 -0.1054 0.5687
668MeOH Me1 2002 1.290 0.510 1.594 -0.4408 0.2529 0.9477
668MeOH O2 2003 1.361 0.645 1.606 0.1625 0.0103 0.1860
668MeOH H3 2004 1.358 0.674 1.701 -1.5226 1.5223 -0.2693
669MeOH Me1 2005 3.121 3.597 10.793 0.2744 -0.5022 -0.2078
669MeOH O2 2006 3.031 3.643 10.678 0.0846 0.0817 0.1740
669MeOH H3 2007 3.058 3.595 10.595 -2.1966 -2.1043 0.5450
670MeOH Me1 2008 3.819 3.185 3.280 -0.0804 0.2510 0.1500
670MeOH O2 2009 3.899 3.275 3.185 -0.5293 0.3390 -0.1511
670MeOH H3 2010 3.996 3.252 3.194 -0.1595 2.2276 1.4763
671MeOH Me1 2011 3.385 2.643 1.535 -0.2631 0.2216 -0.1326
671MeOH O2 2012 3.482 2.566 1.625 -0.0600 0.5475 -0.0690
671MeOH H3 2013 3.575 2.597 1.605 0.3907 -2.2716 -3.3049
672MeOH Me1 2014 0.605 1.646 1.718 -0.0143 0.1165 -0.5918
672MeOH O2 2015 0.747 1.704 1.717 -0.0429 0.2200 0.6795
672MeOH H3 2016 0.767 1.739 1.809 -0.4464 -0.8300 1.1887
673MeOH Me1 2017 2.763 3.572 9.453 0.5359 -0.2991 0.3518
673MeOH O2 2018 2.687 3.526 9.329 0.5256 0.3095 0.1285
673MeOH H3 2019 2.703 3.428 9.316 0.5524 0.3769 -0.3732
674MeOH Me1 2020 0.741 0.414 5.868 -0.4078 0.0404 -0.0078
674MeOH O2 2021 0.815 0.537 5.814 -0.2420 -0.0785 -0.0530
674MeOH H3 2022 0.807 0.610 5.882 -0.2745 0.0056 -0.1478
675MeOH Me1 2023 4.732 3.392 1.658 0.0100 -0.0028 0.4064
675MeOH O2 2024 4.760 3.533 1.607 0.3483 -0.0881 0.3545
675MeOH H3 2025 4.785 3.527 1.511 -1.0296 -0.0603 -0.0304
676MeOH Me1 2026 1.432 1.600 9.128 -0.0665 -0.4985 0.2938
676MeOH O2 2027 1.482 1.578 9.271 0.0044 -0.1910 0.3165
676MeOH H3 2028 1.468 1.663 9.323 -1.6100 -0.6138 0.6310
677MeOH Me1 2029 2.413 4.118 0.654 -0.0046 0.0166 0.3615
677MeOH O2 2030 2.298 4.213 0.688 -0.2038 -0.3257 0.6578
677MeOH H3 2031 2.335 4.307 0.692 -0.5232 -0.1839 0.2965
678MeOH Me1 2032 2.298 1.114 10.801 -0.3654 -0.0812 -0.2320
678MeOH O2 2033 2.330 1.010 10.694 -0.0069 -0.0437 -0.1651
678MeOH H3 2034 2.264 1.020 10.620 0.8890 0.7037 -0.8933
679MeOH Me1 2035 2.346 3.786 0.883 -0.0346 0.0764 0.5127
679MeOH O2 2036 2.366 3.771 0.732 -0.4916 0.1772 0.4431
679MeOH H3 2037 2.283 3.803 0.686 -0.1974 1.2800 0.6633
680MeOH Me1 2038 0.883 4.633 2.290 0.3909 0.2401 0.3322
680MeOH O2 2039 0.944 4.513 2.216 0.3066 0.1842 0.3538
680MeOH H3 2040 0.943 4.532 2.118 -4.7138 -1.9695 -0.3059
681MeOH Me1 2041 1.953 1.504 5.794 0.4287 0.3927 0.3468
681MeOH O2 2042 2.104 1.486 5.777 0.3505 0.8519 -0.9337
681MeOH H3 2043 2.150 1.529 5.854 0.6810 -1.9619 0.5924
682MeOH Me1 2044 4.202 4.956 8.472 0.4382 0.2924 0.1658
682MeOH O2 2045 4.065 4.898 8.436 0.4488 0.1705 0.3193
682MeOH H3 2046 4.062 4.881 8.338 0.9302 -1.3381 0.5447
683MeOH Me1 2047 3.678 4.670 29.551 -0.1662 -0.7509 -0.2805
683MeOH O2 2048 3.789 4.606 29.636 0.1223 -0.0095 -0.0856
683MeOH H3 2049 3.794 4.655 29.723 0.7054 1.0342 -0.6874
684MeOH Me1 2050 1.836 3.485 3.467 -0.4574 -0.2911 -0.0249
684MeOH O2 2051 1.870 3.552 3.601 -0.2214 0.0225 -0.2420
684MeOH H3 2052 1.786 3.559 3.655 -0.3471 1.1470 -0.5548
685MeOH Me1 2053 4.507 0.509 9.073 -0.1672 -0.2851 -0.1800
685MeOH O2 2054 4.504 0.549 8.925 0.8717 0.0931 -0.1082
685MeOH H3 2055 4.485 0.647 8.920 0.1832 -0.0306 -0.0043
686MeOH Me1 2056 0.028 2.549 4.829 -0.1508 0.0987 -0.1898
686MeOH O2 2057 0.175 2.547 4.872 -0.4500 -0.6702 0.8396
686MeOH H3 2058 0.206 2.452 4.871 -0.7804 -0.7810 0.4987
687MeOH Me1 2059 1.844 2.520 2.393 -0.4573 0.3037 0.2226
687MeOH O2 2060 1.915 2.492 2.260 -0.2763 -0.1441 0.4125
687MeOH H3 2061 1.977 2.568 2.240 -0.9181 0.2309 -0.2050
688MeOH Me1 2062 0.048 3.254 4.117 -0.2208 -0.0959 -0.1689
688MeOH O2 2063 0.020 3.404 4.131 -0.7597 -0.2038 -0.0541
688MeOH H3 2064 0.107 3.453 4.125 -0.5800 -0.0582 2.7091
689MeOH Me1 2065 1.248 1.355 8.927 0.6686 0.6011 0.3117
689MeOH O2 2066 1.368 1.368 8.833 0.1874 -0.0820 -0.4152
689MeOH H3 2067 1.375 1.463 8.803 0.4398 -0.1562 -0.5976
690MeOH Me1 2068 0.104 3.245 9.155 0.0851 0.0845 -0.2729
690MeOH O2 2069 0.224 3.282 9.066 0.2645 -0.0010 -0.0664
690MeOH H3 2070 0.191 3.296 8.973 0.5917 -1.0547 -0.3552
691MeOH Me1 2071 4.369 5.120 6.707 -0.7304 0.6368 -0.6406
691MeOH O2 2072 4.361 4.985 6.636 -0.3627 0.3730 -0.1849
691MeOH H3 2073 4.270 4.946 6.651 0.2917 -0.6405 1.4385
692MeOH Me1 2074 1.421 1.348 6.491 -0.0693 0.4791 0.1729
692MeOH O2 2075 1.433 1.376 6.341 0.4162 0.4607 0.2043
692MeOH H3 2076 1.356 1.433 6.313 -1.4225 -2.2283 -0.6678
693MeOH Me1 2077 1.657 0.357 2.179 0.3985 0.2743 -0.5601
693MeOH O2 2078 1.759 0.254 2.131 0.0082 -0.1686 -0.4407
693MeOH H3 2079 1.732 0.164 2.167 -0.1494 0.0268 -0.0593
694MeOH Me1 2080 -0.015 1.219 7.422 0.4810 0.6501 -0.4300
694MeOH O2 2081 0.109 1.217 7.511 0.4153 -0.2223 -0.3510
694MeOH H3 2082 0.176 1.280 7.473 1.0839 -1.0472 -0.5821
695MeOH Me1 2083 0.390 3.770 4.941 -0.0823 0.0938 0.8901
695MeOH O2 2084 0.438 3.877 4.843 -0.0670 -0.5412 0.1982
695MeOH H3 2085 0.437 3.838 4.751 0.6203 -1.3664 0.5278
696MeOH Me1 2086 0.748 2.709 7.706 -0.1232 0.2413 -0.3147
696MeOH O2 2087 0.806 2.570 7.732 -0.4380 0.0573 -0.5962
696MeOH H3 2088 0.732 2.503 7.726 -0.5379 0.2035 -1.0245
697MeOH Me1 2089 0.246 1.682 2.359 -0.3880 -0.1611 -0.1535
697MeOH O2 2090 0.270 1.650 2.212 0.0180 0.3532 -0.2049
697MeOH H3 2091 0.335 1.575 2.206 1.5583 1.6614 -0.3440
698MeOH Me1 2092 3.037 1.309 2.812 -0.4191 -0.1522 0.4363
698MeOH O2 2093 3.165 1.338 2.890 0.1407 0.1419 -0.5760
698MeOH H3 2094 3.235 1.272 2.862 -0.3186 -0.5133 -0.2094
699MeOH Me1 2095 0.456 3.594 5.309 0.4379 -0.1417 -0.3082
699MeOH O2 2096 0.399 3.480 5.226 0.0334 -0.2338 0.0936
699MeOH H3 2097 0.417 3.394 5.274 1.7538 -0.3387 -0.6877
700MeOH Me1 2098 2.001 2.133 2.345 0.6323 -0.1253 0.2093
700MeOH O2 2099 1.990 2.017 2.246 0.1772 -0.0384 0.1549
700MeOH H3 2100 1.902 2.024 2.199 0.3247 0.5015 -0.0567
701MeOH Me1 2101 2.207 0.853 3.860 0.3394 0.3050 -0.4628
701MeOH O2 2102 2.357 0.833 3.885 0.0960 -0.5516 0.3775
701MeOH H3 2103 2.407 0.908 3.841 0.7619 -0.7541 0.7745
702MeOH Me1 2104 4.335 2.702 9.065 0.2215 -0.2490 0.5270
702MeOH O2 2105 4.435 2.602 9.123 0.6063 0.0288 0.3458
702MeOH H3 2106 4.476 2.643 9.205 0.7527 0.2021 0.1876
703MeOH Me1 2107 1.192 1.894 8.270 -0.2451 -0.0590 0.0953
703MeOH O2 2108 1.318 1.941 8.343 -0.3663 0.8753 -0.2768
703MeOH H3 2109 1.291 1.990 8.426 -0.4946 1.4586 -0.6574
704MeOH Me1 2110 3.532 3.025 2.199 -0.3094 0.4473 -0.3508
704MeOH O2 2111 3.629 3.029 2.081 0.5409 0.3174 0.3313
704MeOH H3 2112 3.698 2.958 2.094 -0.9052 -1.2712 -0.2329
705MeOH Me1 2113 0.235 0.162 8.599 -0.0288 -0.8290 0.2019
705MeOH O2 2114 0.277 0.024 8.648 0.1162 -0.6553 0.5714
705MeOH H3 2115 0.291 -0.036 8.569 1.6993 -0.4354 0.6551
706MeOH Me1 2116 1.911 3.274 8.968 0.1512 0.4179 0.0013
706MeOH O2 2117 1.965 3.401 8.903 0.6857 0.2388 0.0858
706MeOH H3 2118 2.046 3.377 8.848 1.7665 0.2555 1.6194
707MeOH Me1 2119 2.136 2.163 9.088 -0.2132 -0.5527 0.5300
707MeOH O2 2120 2.266 2.091 9.051 -0.3871 -0.3653 -0.4935
707MeOH H3 2121 2.342 2.156 9.061 0.0143 -1.1317 2.3186
708MeOH Me1 2122 4.626 3.682 2.470 -0.0268 -0.0108 0.4318
708MeOH O2 2123 4.486 3.664 2.529 -0.3410 -0.3434 -0.3979
708MeOH H3 2124 4.449 3.754 2.553 0.0192 -0.5351 0.9952
709MeOH Me1 2125 2.336 3.409 2.685 -0.1972 -0.0056 -0.2759
709MeOH O2 2126 2.346 3.503 2.806 0.5012 0.4180 -0.6555
709MeOH H3 2127 2.389 3.588 2.776 -0.0976 0.5037 -1.3186
710MeOH Me1 2128 4.923 2.139 0.167 -0.2914 -0.2880 0.2348
710MeOH O2 2129 4.978 2.221 0.284 -0.1558 -0.2491 0.1412
710MeOH H3 2130 4.920 2.301 0.298 -0.5310 -0.5951 0.5971
711MeOH Me1 2131 0.669 0.704 0.926 0.6620 -0.1365 -0.4011
711MeOH O2 2132 0.615 0.569 0.973 0.3617 0.0085 -0.3681
711MeOH H3 2133 0.681 0.498 0.948 -1.2669 -0.6085 -3.2875
712MeOH Me1 2134 1.617 3.785 3.337 -0.4967 -0.1116 -0.4309
712MeOH O2 2135 1.700 3.913 3.325 -0.0220 -0.4083 -0.3367
712MeOH H3 2136 1.767 3.915 3.400 -0.2450 -0.5401 -0.1341
713MeOH Me1 2137 4.838 3.883 9.796 -0.8036 0.4369 0.6327
713MeOH O2 2138 4.766 3.984 9.705 0.4006 0.8183 0.0841
713MeOH H3 2139 4.688 3.938 9.662 0.2709 1.3230 -0.2235
714MeOH Me1 2140 0.556 2.078 0.883 0.4292 -0.6950 0.3962
714MeOH O2 2141 0.625 2.134 1.007 0.0021 0.9518 -0.0776
714MeOH H3 2142 0.591 2.084 1.087 1.1675 0.6394 0.2382
715MeOH Me1 2143 3.585 0.740 9.757 -0.0284 -0.1584 0.0822
715MeOH O2 2144 3.437 0.757 9.793 0.0812 0.8174 0.0896
715MeOH H3 2145 3.383 0.748 9.709 -0.2384 -2.2619 0.5170
716MeOH Me1 2146 2.535 4.006 7.908 -0.5194 -0.4627 0.8512
716MeOH O2 2147 2.465 3.936 7.791 -0.1894 0.5217 0.0556
716MeOH H3 2148 2.392 3.879 7.827 -0.3109 0.2269 -0.6382
717MeOH Me1 2149 3.034 3.607 9.768 0.0675 0.5156 0.7305
717MeOH O2 2150 3.125 3.520 9.855 -0.1152 0.1954 0.6013
717MeOH H3 2151 3.151 3.572 9.936 0.8435 0.4236 0.1625
718MeOH Me1 2152 4.529 1.727 29.625 -0.1117 -0.3783 0.8617
718MeOH O2 2153 4.528 1.615 29.521 0.3520 0.3156 0.0982
718MeOH H3 2154 4.497 1.531 29.565 2.1210 -0.4849 -0.0938
719MeOH Me1 2155 4.816 5.083 5.602 0.4625 -0.3187 -0.2880
719MeOH O2 2156 4.864 4.939 5.617 0.4070 -0.2742 0.3394
719MeOH H3 2157 4.906 4.910 5.531 1.0564 -0.4209 0.7053
720MeOH Me1 2158 0.710 4.391 29.806 0.1190 -0.5280 0.1831
720MeOH O2 2159 0.598 4.295 29.765 -0.0049 -0.3613 0.1317
720MeOH H3 2160 0.550 4.266 29.847 -1.0174 0.8464 -0.0077
721MeOH Me1 2161 2.802 3.877 7.680 -0.8474 -0.0945 0.2483
721MeOH O2 2162 2.763 3.737 7.731 0.3656 -0.2305 0.8254
721MeOH H3 2163 2.845 3.680 7.730 1.2599 0.9271 2.6589
722MeOH Me1 2164 1.391 0.209 4.292 -0.1819 -0.3364 0.5328
722MeOH O2 2165 1.268 0.300 4.289 0.0468 -0.0437 -0.2096
722MeOH H3 2166 1.265 0.352 4.375 -1.6076 -1.7630 0.8483
723MeOH Me1 2167 0.646 3.721 5.708 0.0370 0.2274 1.0096
723MeOH O2 2168 0.502 3.755 5.669 0.2868 0.1319 -0.0223
723MeOH H3 2169 0.495 3.853 5.654 -0.0499 0.3924 1.6461
724MeOH Me1 2170 3.210 1.421 6.443 0.4388 0.2844 -0.8094
724MeOH O2 2171 3.112 1.416 6.326 0.0404 0.2191 -0.4727
724MeOH H3 2172 3.147 1.352 6.257 0.0240 0.5037 -0.7518
725MeOH Me1 2173 3.332 1.468 2.473 0.3150 -0.3943 -0.6151
725MeOH O2 2174 3.428 1.578 2.427 0.0419 0.2597 0.3440
725MeOH H3 2175 3.425 1.653 2.494 -2.0942 0.8326 -0.3133
726MeOH Me1 2176 3.993 3.625 3.505 -0.2458 -0.0386 0.2192
726MeOH O2 2177 4.142 3.657 3.517 -0.1773 -0.2859 0.0490
726MeOH H3 2178 4.193 3.596 3.456 -0.6800 2.3509 -3.3089
727MeOH Me1 2179 1.279 1.650 5.488 0.0551 -0.5081 0.4057
727MeOH O2 2180 1.338 1.739 5.598 -0.1784 0.0004 0.1237
727MeOH H3 2181 1.303 1.832 5.585 -0.2819 -0.0900 -0.2812
728MeOH Me1 2182 2.719 0.973 1.209 -0.0118 0.3437 -0.3351
728MeOH O2 2183 2.630 0.917 1.320 0.2887 0.0923 -0.2181
728MeOH H3 2184 2.534 0.926 1.292 0.2508 -1.3181 -0.6457
729MeOH Me1 2185 0.747 1.312 8.829 -0.3573 0.2022 0.2026
729MeOH O2 2186 0.791 1.435 8.749 0.1198 0.0659 0.2354
729MeOH H3 2187 0.792 1.514 8.810 0.1856 0.0864 0.2073
730MeOH Me1 2188 3.486 0.897 10.425 -0.2256 -0.2571 0.0707
730MeOH O2 2189 3.535 0.975 10.547 0.2665 0.6391 -0.6777
730MeOH H3 2190 3.548 1.070 10.521 0.7526 0.3400 -1.5975
731MeOH Me1 2191 3.899 2.424 8.484 0.5669 0.3618 -0.2610
731MeOH O2 2192 4.009 2.343 8.553 -0.1029 -0.0605 0.3284
731MeOH H3 2193 4.096 2.391 8.540 0.2075 -0.5903 0.4260
732MeOH Me1 2194 0.606 0.655 6.160 0.0202 0.0418 -0.0528
732MeOH O2 2195 0.689 0.703 6.040 -0.1213 0.3063 -0.0449
732MeOH H3 2196 0.635 0.770 5.989 0.3418 1.4921 0.9580
733MeOH Me1 2197 3.331 2.632 6.580 0.0920 0.7829 0.0432
733MeOH O2 2198 3.442 2.528 6.591 -0.1371 0.4577 -0.5641
733MeOH H3 2199 3.450 2.500 6.687 -1.3212 -1.3515 -0.9531
734MeOH Me1 2200 2.353 1.891 10.407 -0.4224 0.2556 0.2287
734MeOH O2 2201 2.368 1.750 10.465 0.7514 0.1663 -0.2569
734MeOH H3 2202 2.339 1.684 10.396 1.9567 0.1148 -0.7298
735MeOH Me1 2203 2.159 1.847 3.675 0.1587 0.2139 0.4805
735MeOH O2 2204 2.301 1.904 3.657 0.0234 0.2047 -0.7113
735MeOH H3 2205 2.312 1.932 3.562 -1.4854 2.1066 -0.3907
736MeOH Me1 2206 1.454 1.549 4.556 0.2583 -0.3516 0.5274
736MeOH O2 2207 1.531 1.679 4.536 -0.1177 -0.2317 -0.1395
736MeOH H3 2208 1.540 1.695 4.437 -1.8516 0.2869 -0.2621
737MeOH Me1 2209 0.931 1.962 10.301 -0.6918 -0.5173 -0.0172
737MeOH O2 2210 0.809 1.950 10.392 -0.2450 -0.1441 0.6367
737MeOH H3 2211 0.781 1.854 10.395 -1.6101 0.1919 -0.6706
738MeOH Me1 2212 0.109 0.497 9.955 0.1466 0.0616 0.7098
738MeOH O2 2213 -0.035 0.537 9.989 -0.0014 -0.0034 0.1704
738MeOH H3 2214 -0.034 0.594 10.071 -0.1753 1.4034 -0.7677
739MeOH Me1 2215 3.863 0.285 0.058 0.3307 -0.3520 -0.1541
739MeOH O2 2216 3.976 0.380 0.019 0.1022 0.2254 0.5751
739MeOH H3 2217 4.030 0.400 0.100 0.4386 -0.7646 0.6027
740MeOH Me1 2218 2.530 0.622 9.394 0.0204 -0.5707 -0.1740
740MeOH O2 2219 2.496 0.664 9.537 0.6947 0.3830 -0.2797
740MeOH H3 2220 2.526 0.758 9.551 1.8233 0.0911 -0.6762
741MeOH Me1 2221 2.539 4.660 10.416 0.3487 -0.2866 0.2836
741MeOH O2 2222 2.483 4.592 10.541 -0.3388 0.4751 0.3963
741MeOH H3 2223 2.512 4.644 10.621 3.6093 -1.7503 0.6653
742MeOH Me1 2224 4.058 0.283 1.263 0.5974 -0.8060 0.6868
742MeOH O2 2225 4.122 0.172 1.180 0.1151 -0.2560 -0.4520
742MeOH H3 2226 4.070 0.087 1.195 -0.1804 -0.2203 -1.2205
743MeOH Me1 2227 3.948 3.126 2.847 -0.4833 -0.2802 0.1076
743MeOH O2 2228 3.868 3.189 2.733 -0.0649 0.1292 0.0375
743MeOH H3 2229 3.932 3.216 2.661 0.2650 0.9257 0.6121
744MeOH Me1 2230 2.852 2.622 7.718 0.5278 -0.4281 -0.2375
744MeOH O2 2231 2.733 2.529 7.696 0.2872 -0.2325 0.2135
744MeOH H3 2232 2.765 2.435 7.701 0.4436 -0.2965 -1.3407
745MeOH Me1 2233 1.508 1.136 6.861 0.2565 -0.1443 0.2167
745MeOH O2 2234 1.596 1.011 6.847 0.1837 -0.1908 0.1568
745MeOH H3 2235 1.677 1.023 6.903 -0.2462 -0.6677 0.9050
746MeOH Me1 2236 3.225 2.775 6.055 0.0704 -0.2350 -0.1222
746MeOH O2 2237 3.313 2.848 6.157 -0.4216 -0.0405 0.1621
746MeOH H3 2238 3.366 2.780 6.208 0.4637 0.1489 -0.4915
747MeOH Me1 2239 2.375 3.195 5.265 -0.4500 -0.2158 -0.4335
747MeOH O2 2240 2.326 3.051 5.278 -0.4229 -0.1810 0.0559
747MeOH H3 2241 2.226 3.051 5.277 -0.4595 -0.0533 1.6308
748MeOH Me1 2242 1.035 3.884 6.709 0.0327 0.4495 -0.1638
748MeOH O2 2243 1.029 3.822 6.848 0.0684 0.1432 -0.2981
748MeOH H3 2244 1.025 3.896 6.916 2.1032 0.0528 -0.0245
749MeOH Me1 2245 1.760 1.652 4.769 0.8633 -0.9514 -0.0581
749MeOH O2 2246 1.866 1.745 4.708 -0.1644 -0.0284 -0.4829
749MeOH H3 2247 1.955 1.722 4.748 0.4067 -0.1197 -1.7548
750MeOH Me1 2248 2.293 1.112 8.341 0.3809 0.1388 0.0285
750MeOH O2 2249 2.270 1.095 8.191 -0.6250 -0.0325 0.1949
750MeOH H3 2250 2.177 1.061 8.177 -0.6759 -0.1844 0.8599
751MeOH Me1 2251 2.649 0.975 10.349 -0.2015 0.0601 0.3964
751MeOH O2 2252 2.660 0.839 10.417 -0.4383 0.0353 0.3839
751MeOH H3 2253 2.586 0.831 10.484 0.7141 0.9659 1.8193
752MeOH Me1 2254 4.083 3.318 7.060 0.3131 0.7522 0.1553
752MeOH O2 2255 4.094 3.309 6.907 0.1542 0.3123 0.1656
752MeOH H3 2256 4.054 3.223 6.877 2.4705 -1.0242 0.6945
753MeOH Me1 2257 2.535 0.353 0.065 -0.3145 0.0369 0.3391
753MeOH O2 2258 2.667 0.277 0.063 -0.6439 -0.5411 0.3208
753MeOH H3 2259 2.695 0.265 -0.033 -0.8514 -0.9157 0.3052
754MeOH Me1 2260 3.386 3.920 6.736 0.0445 0.0627 0.1836
754MeOH O2 2261 3.264 3.843 6.786 0.3545 -0.4579 0.1670
754MeOH H3 2262 3.185 3.904 6.783 0.0398 -0.8789 -0.1348
755MeOH Me1 2263 0.717 3.922 8.644 -0.2670 0.3147 0.4615
755MeOH O2 2264 0.849 3.929 8.722 -0.0386 -0.0019 0.0973
755MeOH H3 2265 0.834 3.985 8.804 0.7307 1.3586 -0.6559
756MeOH Me1 2266 0.503 1.387 6.434 -0.3173 0.4041 -1.1209
756MeOH O2 2267 0.462 1.254 6.370 0.1997 -0.2709 -0.0705
756MeOH H3 2268 0.382 1.219 6.420 -2.0413 1.6888 -2.0422
757MeOH Me1 2269 4.094 1.208 8.189 0.1433 0.0287 -0.4410
757MeOH O2 2270 4.179 1.104 8.261 0.0460 0.2164 -0.0553
757MeOH H3 2271 4.225 1.047 8.193 -2.5567 -2.2372 0.0297
758MeOH Me1 2272 3.083 1.300 1.620 -0.0769 -0.1454 -0.2561
758MeOH O2 2273 3.187 1.371 1.707 -0.3586 -0.2837 0.1954
758MeOH H3 2274 3.212 1.457 1.663 -1.2814 0.4879 1.1220
759MeOH Me1 2275 0.143 1.769 4.103 -0.2851 -0.0449 0.6655
759MeOH O2 2276 0.036 1.698 4.021 -0.0410 -0.0227 0.3257
759MeOH H3 2277 -0.018 1.768 3.972 -0.4775 0.0547 0.9005
760MeOH Me1 2278 3.344 1.755 4.009 -0.3799 -0.2915 -0.1968
760MeOH O2 2279 3.383 1.828 3.880 -0.3187 0.3200 0.1647
760MeOH H3 2280 3.398 1.925 3.902 0.5607 0.0490 0.8003
761MeOH Me1 2281 3.704 4.699 11.145 0.0047 0.1926 0.2234
761MeOH O2 2282 3.778 4.746 11.019 0.0801 -0.1273 0.1473
761MeOH H3 2283 3.864 4.695 11.012 0.2723 0.1374 0.5462
762MeOH Me1 2284 3.967 1.710 3.559 -0.2151 -0.7825 -0.0213
762MeOH O2 2285 3.979 1.729 3.407 -0.2884 -0.6944 -0.0161
762MeOH H3 2286 3.897 1.775 3.374 -0.5430 -1.1539 -0.0275
763MeOH Me1 2287 1.814 1.022 5.900 0.0214 -0.5317 0.8739
763MeOH O2 2288 1.679 0.967 5.851 -0.0437 -0.0358 0.4856
763MeOH H3 2289 1.653 0.891 5.911 -0.4915 0.0547 0.4034
764MeOH Me1 2290 2.441 1.032 4.217 -0.4624 -0.5444 -0.1199
764MeOH O2 2291 2.507 0.906 4.273 0.0440 -0.1456 0.2007
764MeOH H3 2292 2.516 0.840 4.198 1.6961 0.2621 0.0169
765MeOH Me1 2293 1.362 4.182 10.661 -0.6944 -0.7473 -0.2746
765MeOH O2 2294 1.483 4.101 10.615 0.0106 0.0156 0.2206
765MeOH H3 2295 1.555 4.165 10.587 -0.9565 0.4992 -1.2994
766MeOH Me1 2296 1.614 2.724 9.462 0.1783 0.2584 0.2425
766MeOH O2 2297 1.470 2.697 9.506 0.1419 -0.8550 -0.5371
766MeOH H3 2298 1.465 2.605 9.545 1.1219 -0.1507 1.3645
767MeOH Me1 2299 0.471 4.582 5.261 -0.0444 -0.6214 -0.0709
767MeOH O2 2300 0.432 4.617 5.118 -0.4715 -0.6319 0.0427
767MeOH H3 2301 0.346 4.571 5.096 0.8404 -2.8710 -0.6237
768MeOH Me1 2302 3.881 4.443 9.922 0.0294 0.1857 -0.0536
768MeOH O2 2303 3.800 4.554 9.855 -0.4111 -0.0814 0.0301
768MeOH H3 2304 3.776 4.622 9.924 1.8153 1.2633 -0.4021
769MeOH Me1 2305 3.933 2.608 5.670 -0.6159 0.3964 -0.2820
769MeOH O2 2306 3.933 2.691 5.542 0.1450 0.1552 -0.4400
769MeOH H3 2307 4.017 2.745 5.540 -0.1545 0.6624 0.2920
770MeOH Me1 2308 1.123 4.363 9.991 0.1688 0.0576 -0.2419
770MeOH O2 2309 1.248 4.382 10.076 0.0834 -0.2378 -0.0478
770MeOH H3 2310 1.278 4.293 10.110 -0.2989 -0.2808 0.1716
771MeOH Me1 2311 0.745 1.258 7.127 0.0891 -0.4723 0.1351
771MeOH O2 2312 0.755 1.109 7.093 -0.1900 -0.4616 0.0111
771MeOH H3 2313 0.699 1.058 7.158 1.2298 -0.5876 1.1738
772MeOH Me1 2314 4.609 2.271 4.123 -0.5143 0.1630 -0.0652
772MeOH O2 2315 4.570 2.122 4.118 -0.0378 0.0135 0.5809
772MeOH H3 2316 4.498 2.106 4.186 1.0882 -0.2554 1.7535
773MeOH Me1 2317 0.730 0.336 10.317 0.2276 -0.0318 -0.0158
773MeOH O2 2318 0.690 0.268 10.186 -0.0929 -0.0257 0.0785
773MeOH H3 2319 0.594 0.241 10.192 0.0645 -0.5084 0.5213
774MeOH Me1 2320 1.153 4.807 4.764 0.1700 0.4684 -0.1860
774MeOH O2 2321 1.130 4.916 4.870 -0.0533 0.3179 -0.0702
774MeOH H3 2322 1.042 4.960 4.851 -0.5797 -0.4655 0.5160
775MeOH Me1 2323 3.607 0.563 8.166 -0.1739 -0.7211 -0.2264
775MeOH O2 2324 3.750 0.521 8.131 0.0315 -0.0280 -0.2283
775MeOH H3 2325 3.813 0.575 8.188 -0.3229 -2.0136 2.2400
776MeOH Me1 2326 0.246 3.860 0.111 -0.4471 0.0455 0.4926
776MeOH O2 2327 0.237 3.922 -0.028 0.8356 -0.3883 0.2074
776MeOH H3 2328 0.243 4.021 -0.019 -0.8999 -0.2530 0.1311
777MeOH Me1 2329 3.836 4.409 4.932 0.0450 0.2218 0.2417
777MeOH O2 2330 3.865 4.330 5.060 -0.1137 -0.6267 -0.2369
777MeOH H3 2331 3.881 4.234 5.036 -0.9539 -0.6401 -0.7542
778MeOH Me1 2332 1.482 4.650 10.092 0.1808 0.4793 0.2170
778MeOH O2 2333 1.332 4.647 10.120 0.0468 1.0797 -0.3841
778MeOH H3 2334 1.297 4.556 10.097 0.2533 0.3726 1.7877
779MeOH Me1 2335 4.236 1.935 5.428 -0.0459 -0.6495 0.1259
779MeOH O2 2336 4.304 2.060 5.484 0.1991 -0.6740 -0.1124
779MeOH H3 2337 4.356 2.104 5.411 -1.0889 0.0210 -0.6368
780MeOH Me1 2338 2.110 1.480 8.306 0.0848 -0.3145 0.0171
780MeOH O2 2339 2.017 1.583 8.243 -0.0399 -0.4745 -0.0594
780MeOH H3 2340 1.923 1.557 8.261 0.0015 0.4953 1.7309
781MeOH Me1 2341 4.502 4.257 9.877 0.8274 0.1007 0.2764
781MeOH O2 2342 4.453 4.353 9.768 -0.2300 -0.3203 0.3870
781MeOH H3 2343 4.491 4.443 9.787 -0.8277 -0.0242 0.1994
782MeOH Me1 2344 0.595 2.484 6.680 0.1072 0.2280 0.6294
782MeOH O2 2345 0.535 2.513 6.542 0.0704 -0.0851 0.5637
782MeOH H3 2346 0.452 2.568 6.555 -0.7100 -1.2419 0.5666
783MeOH Me1 2347 2.026 4.111 10.339 -0.1402 0.2774 -0.2654
783MeOH O2 2348 1.969 4.068 10.475 -0.1756 0.1525 -0.3198
783MeOH H3 2349 1.900 3.997 10.459 -0.8773 0.8551 -0.4864
784MeOH Me1 2350 1.771 4.929 2.270 -0.5912 0.2488 -0.1938
784MeOH O2 2351 1.655 5.023 2.302 -0.2092 0.7373 -0.2441
784MeOH H3 2352 1.570 4.982 2.269 -0.9120 -0.7167 3.0267
785MeOH Me1 2353 3.813 4.019 29.844 -0.2377 0.3671 -0.2565
785MeOH O2 2354 3.954 4.039 29.789 -0.1144 -0.2062 -0.1548
785MeOH H3 2355 4.019 4.000 29.854 -0.2965 -0.1507 0.0644
786MeOH Me1 2356 3.062 0.541 7.794 -0.1510 0.4881 -0.5831
786MeOH O2 2357 2.960 0.630 7.865 0.2068 0.0099 0.5661
786MeOH H3 2358 2.990 0.726 7.855 -0.4324 0.1653 0.0710
787MeOH Me1 2359 0.588 4.762 8.631 -0.2842 0.0547 0.2194
787MeOH O2 2360 0.640 4.644 8.713 -0.2043 -0.0200 0.0617
787MeOH H3 2361 0.602 4.650 8.805 0.0116 -0.0134 0.1515
788MeOH Me1 2362 3.738 4.676 2.261 -0.4528 -0.1994 -0.1858
788MeOH O2 2363 3.699 4.822 2.283 -0.0378 0.0075 -0.7800
788MeOH H3 2364 3.716 4.845 2.379 0.5281 0.5069 -0.9947
789MeOH Me1 2365 4.978 4.775 2.143 0.0126 -0.1765 0.4330
789MeOH O2 2366 4.971 4.841 2.282 0.3182 -0.3612 0.5220
789MeOH H3 2367 4.915 4.783 2.341 -2.5125 1.2820 -0.3891
790MeOH Me1 2368 2.439 4.718 2.264 0.0319 0.6238 0.4194
790MeOH O2 2369 2.334 4.730 2.373 0.2798 -0.3123 0.7727
790MeOH H3 2370 2.262 4.792 2.342 -1.5673 -2.6427 0.0787
791MeOH Me1 2371 0.743 1.648 9.388 -0.0431 -0.0354 0.3985
791MeOH O2 2372 0.891 1.609 9.397 0.0092 0.0224 -0.1794
791MeOH H3 2373 0.898 1.521 9.443 0.2964 0.7470 1.2428
792MeOH Me1 2374 3.105 0.042 3.670 -0.7115 0.1881 -0.1084
792MeOH O2 2375 3.047 0.182 3.691 0.2985 0.5293 0.4772
792MeOH H3 2376 3.062 0.235 3.608 1.3076 1.0054 0.9501
793MeOH Me1 2377 3.913 4.960 1.061 0.1267 -0.3097 -0.1194
793MeOH O2 2378 3.934 4.971 1.212 0.0511 0.0574 -0.1358
793MeOH H3 2379 3.850 5.007 1.253 0.0384 0.1772 -0.2680
794MeOH Me1 2380 3.426 3.818 9.870 -0.7075 0.3727 -0.4559
794MeOH O2 2381 3.530 3.742 9.788 -0.1530 0.3629 0.2419
794MeOH H3 2382 3.573 3.805 9.724 0.7977 0.5197 1.0056
795MeOH Me1 2383 3.180 1.668 2.966 -0.0360 0.4017 0.3472
795MeOH O2 2384 3.252 1.549 3.030 -0.3023 0.0501 -0.0021
795MeOH H3 2385 3.227 1.466 2.980 -0.2238 0.2999 -0.4578
796MeOH Me1 2386 0.621 3.927 29.844 -0.4322 0.3919 0.3394
796MeOH O2 2387 0.506 3.826 29.843 0.4178 -0.5844 -0.3825
796MeOH H3 2388 0.420 3.875 29.850 -0.1921 -1.1613 -2.8549
797MeOH Me1 2389 2.645 4.045 4.815 0.7255 0.0115 -0.0298
797MeOH O2 2390 2.680 3.942 4.923 0.6071 -0.0489 -0.0485
797MeOH H3 2391 2.729 3.988 4.996 1.2975 -0.2556 -0.3786
798MeOH Me1 2392 1.373 4.171 7.710 0.1971 -0.0786 -0.1372
798MeOH O2 2393 1.427 4.135 7.572 0.0862 0.0713 -0.2208
798MeOH H3 2394 1.518 4.095 7.583 1.7463 3.3681 -0.5513
799MeOH Me1 2395 4.043 2.387 8.855 0.2645 -0.6009 0.1587
799MeOH O2 2396 3.965 2.353 8.982 0.0122 0.0182 0.1714
799MeOH H3 2397 3.880 2.306 8.955 0.1482 -0.2685 0.2384
800MeOH Me1 2398 4.618 2.920 8.500 -0.1462 0.6518 -0.1519
800MeOH O2 2399 4.755 2.889 8.562 -0.3429 0.1097 0.0253
800MeOH H3 2400 4.822 2.953 8.523 -0.6233 2.0763 2.5048
801MeOH Me1 2401 0.177 3.962 10.273 0.2914 0.3624 0.0853
801MeOH O2 2402 0.086 4.073 10.326 0.1040 0.0001 0.5236
801MeOH H3 2403 -0.008 4.049 10.305 0.2170 0.4715 -0.6135
802MeOH Me1 2404 2.834 1.865 0.827 0.2312 -0.1060 0.1614
802MeOH O2 2405 2.859 1.931 0.963 0.2169 0.2447 -0.0048
802MeOH H3 2406 2.956 1.927 0.984 -0.0096 -1.4270 0.8818
803MeOH Me1 2407 1.775 3.477 7.589 0.2961 -0.3623 0.5332
803MeOH O2 2408 1.769 3.324 7.599 0.5253 -0.3349 1.2480
803MeOH H3 2409 1.714 3.290 7.523 0.4723 -0.7596 1.4777
804MeOH Me1 2410 2.130 1.026 10.354 0.5421 0.4062 0.5188
804MeOH O2 2411 2.146 1.035 10.506 0.7606 -0.3927 0.5473
804MeOH H3 2412 2.085 1.106 10.540 -1.4271 -2.4951 1.3640
805MeOH Me1 2413 1.170 4.700 10.844 -0.2878 -0.4880 -0.1142
805MeOH O2 2414 1.280 4.596 10.821 -0.1005 -0.3634 0.2150
805MeOH H3 2415 1.313 4.604 10.727 0.3084 -0.1969 0.3712
806MeOH Me1 2416 2.254 4.541 10.097 0.1057 -0.3469 0.1863
806MeOH O2 2417 2.278 4.464 9.967 0.1392 0.6422 -0.4082
806MeOH H3 2418 2.275 4.528 9.891 1.3249 1.4378 0.1780
807MeOH Me1 2419 3.783 0.628 29.591 -0.5289 -0.3370 -0.2547
807MeOH O2 2420 3.761 0.741 29.692 0.1896 -0.0515 -0.4062
807MeOH H3 2421 3.769 0.704 29.784 1.2238 0.2974 -0.3385
808MeOH Me1 2422 3.087 4.417 1.901 -0.0210 0.7067 0.4973
808MeOH O2 2423 3.185 4.435 2.017 0.4856 0.4418 0.1141
808MeOH H3 2424 3.142 4.401 2.101 1.1447 -0.4928 0.0995
809MeOH Me1 2425 1.144 4.583 2.651 -0.2215 0.0490 -0.2306
809MeOH O2 2426 1.152 4.632 2.796 0.1392 0.1331 -0.2792
809MeOH H3 2427 1.213 4.712 2.799 1.0455 -0.5385 -0.2954
810MeOH Me1 2428 4.670 2.074 5.556 -0.0920 -0.0194 -0.0578
810MeOH O2 2429 4.562 1.966 5.554 0.1928 -0.3108 0.1901
810MeOH H3 2430 4.474 2.010 5.534 0.2936 -0.7707 -1.4108
811MeOH Me1 2431 4.641 1.734 0.702 -0.4642 -0.0082 0.6064
811MeOH O2 2432 4.520 1.812 0.652 -0.0971 0.4823 0.4809
811MeOH H3 2433 4.553 1.887 0.594 0.1953 -0.6684 -0.8948
812MeOH Me1 2434 4.703 3.708 1.357 0.5636 0.7206 -0.1269
812MeOH O2 2435 4.805 3.595 1.344 0.0948 0.3912 -1.0482
812MeOH H3 2436 4.834 3.590 1.249 1.4151 2.2621 -0.8025
813MeOH Me1 2437 3.055 -0.077 29.798 0.1226 0.3237 -0.1284
813MeOH O2 2438 2.964 0.026 29.730 0.2618 0.6061 0.1080
813MeOH H3 2439 3.005 0.052 29.642 1.0094 1.7896 0.7733
814MeOH Me1 2440 0.246 0.471 2.527 0.5834 0.5961 -0.5845
814MeOH O2 2441 0.147 0.451 2.412 -0.0128 0.3836 -0.0456
814MeOH H3 2442 0.174 0.511 2.336 -0.4721 0.3380 -0.2498
815MeOH Me1 2443 3.839 3.152 7.298 0.2074 0.3786 -0.3131
815MeOH O2 2444 3.820 3.084 7.163 0.2298 -0.0738 -0.0892
815MeOH H3 2445 3.902 3.030 7.143 0.3119 0.0098 0.0189
816MeOH Me1 2446 3.712 2.007 3.058 0.0525 0.4355 0.2632
816MeOH O2 2447 3.831 1.934 3.121 -0.3117 -0.2124 0.2040
816MeOH H3 2448 3.830 1.950 3.220 -0.8489 -1.1797 0.3721
817MeOH Me1 2449 3.058 3.595 8.375 -0.3092 -0.5400 0.2778
817MeOH O2 2450 3.189 3.664 8.334 0.1163 -1.2090 0.4934
817MeOH H3 2451 3.221 3.623 8.249 -1.4460 0.4906 -0.9892
818MeOH Me1 2452 3.554 4.161 3.238 0.1774 0.8561 -0.6901
818MeOH O2 2453 3.661 4.122 3.135 0.9508 0.2565 0.3149
818MeOH H3 2454 3.693 4.030 3.156 -2.4210 -1.4928 -1.4779
819MeOH Me1 2455 4.841 4.418 2.941 0.5759 0.2355 0.5957
819MeOH O2 2456 4.929 4.469 2.826 -0.0650 -0.4007 -0.1888
819MeOH H3 2457 4.969 4.557 2.853 1.5490 -1.1146 -0.1703
820MeOH Me1 2458 3.212 3.892 9.526 0.2367 -0.2813 -0.0625
820MeOH O2 2459 3.151 3.960 9.403 0.0573 -0.1586 0.1125
820MeOH H3 2460 3.142 4.058 9.421 -0.1838 -0.2168 0.3310
821MeOH Me1 2461 3.133 0.741 29.592 -0.4391 0.4133 -0.0164
821MeOH O2 2462 3.274 0.797 29.573 0.0442 -0.9397 -0.3988
821MeOH H3 2463 3.296 0.857 29.650 0.5136 -0.4849 -0.8707
822MeOH Me1 2464 4.582 4.705 9.922 0.2806 0.4028 0.0318
822MeOH O2 2465 4.555 4.661 9.778 0.1212 -0.1140 0.2175
822MeOH H3 2466 4.584 4.734 9.717 -1.2861 0.2979 -0.0128
823MeOH Me1 2467 1.348 2.374 1.251 -0.8162 -0.0801 0.0741
823MeOH O2 2468 1.231 2.358 1.349 -0.4598 0.2926 0.5690
823MeOH H3 2469 1.154 2.316 1.300 -1.1410 1.4333 0.6420
824MeOH Me1 2470 1.720 2.968 8.974 0.4331 0.4229 -0.0950
824MeOH O2 2471 1.795 2.841 8.934 0.2519 0.2458 0.1296
824MeOH H3 2472 1.808 2.841 8.835 -1.1263 -0.6889 -0.0985
825MeOH Me1 2473 4.832 3.279 29.826 -0.0402 0.4555 0.1741
825MeOH O2 2474 4.703 3.321 29.755 0.0340 0.0418 -0.2091
825MeOH H3 2475 4.689 3.419 29.770 -0.9281 -0.2132 0.7403
826MeOH Me1 2476 4.841 2.861 5.191 0.1799 0.7079 -0.4301
826MeOH O2 2477 4.947 2.865 5.301 -0.0183 -0.3333 -0.1894
826MeOH H3 2478 4.951 2.958 5.338 -1.0543 -0.9717 1.6649
827MeOH Me1 2479 3.927 0.257 10.508 -0.3804 -0.2876 0.2705
827MeOH O2 2480 3.873 0.353 10.402 0.1142 0.0976 0.3738
827MeOH H3 2481 3.782 0.323 10.375 -0.3438 1.0146 0.8632
828MeOH Me1 2482 4.811 3.112 3.342 0.5424 -0.4514 -0.2294
828MeOH O2 2483 4.898 3.213 3.416 0.1934 -0.1017 -0.2935
828MeOH H3 2484 4.878 3.207 3.514 -0.9674 1.0308 -0.4329
829MeOH Me1 2485 2.575 2.873 1.236 0.4330 -0.1119 0.2976
829MeOH O2 2486 2.614 3.014 1.281 -0.1783 0.0011 0.4870
829MeOH H3 2487 2.672 3.055 1.211 0.4949 -0.0432 1.0149
830MeOH Me1 2488 1.063 2.585 6.449 -0.1395 -0.4643 -0.0932
830MeOH O2 2489 1.107 2.648 6.316 -0.2596 0.1448 0.1599
830MeOH H3 2490 1.158 2.580 6.264 1.9481 1.1538 0.8800
831MeOH Me1 2491 4.595 4.418 1.476 0.3491 -0.3759 0.0626
831MeOH O2 2492 4.584 4.568 1.508 0.3885 -0.2579 -0.4628
831MeOH H3 2493 4.560 4.578 1.605 0.4579 0.0905 -0.4804
832MeOH Me1 2494 0.666 3.687 7.935 0.2376 0.0678 0.0180
832MeOH O2 2495 0.817 3.666 7.934 0.1848 -0.3082 -0.8188
832MeOH H3 2496 0.838 3.579 7.979 0.3397 0.5787 0.8886
833MeOH Me1 2497 2.629 0.381 4.413 0.7423 -0.0005 -0.1121
833MeOH O2 2498 2.690 0.243 4.385 -0.2339 -0.3280 -0.5930
833MeOH H3 2499 2.771 0.255 4.328 1.6359 -0.3608 1.8793
834MeOH Me1 2500 4.739 1.260 10.109 -0.0549 0.1975 0.1347
834MeOH O2 2501 4.700 1.119 10.153 -0.1520 0.4486 0.8648
834MeOH H3 2502 4.782 1.062 10.153 -0.5048 -0.1158 -0.8092
835MeOH Me1 2503 2.064 2.363 9.917 -0.1217 -0.3980 -0.2891
835MeOH O2 2504 1.927 2.411 9.871 -0.3711 -0.8681 -0.0365
835MeOH H3 2505 1.862 2.336 9.881 -0.5888 -0.4483 2.2224
836MeOH Me1 2506 1.513 0.509 5.182 0.3042 -0.0828 0.0311
836MeOH O2 2507 1.473 0.541 5.327 0.2306 -0.2285 0.0273
836MeOH H3 2508 1.380 0.577 5.327 0.7094 1.0917 -0.1462
837MeOH Me1 2509 2.210 4.330 8.164 -0.1001 -0.3122 -0.0767
837MeOH O2 2510 2.316 4.407 8.084 -0.6525 0.3699 -0.1553
837MeOH H3 2511 2.304 4.505 8.102 -1.3299 0.2995 -0.2046
838MeOH Me1 2512 2.930 0.810 9.982 0.0033 -0.3003 0.6065
838MeOH O2 2513 2.998 0.940 9.940 -0.5143 -0.1460 0.2439
838MeOH H3 2514 3.097 0.930 9.951 -0.4443 0.1557 -0.0641
839MeOH Me1 2515 2.833 4.442 6.929 0.4859 -0.5586 0.1242
839MeOH O2 2516 2.705 4.380 6.984 0.1237 -0.3613 -0.4881
839MeOH H3 2517 2.692 4.411 7.077 0.4579 -1.4012 -0.0736
840MeOH Me1 2518 2.589 3.350 29.650 -0.0491 0.1986 0.8347
840MeOH O2 2519 2.638 3.492 29.622 0.4852 -0.1694 -0.1341
840MeOH H3 2520 2.738 3.493 29.628 0.5049 -0.5521 -0.3773
841MeOH Me1 2521 0.065 1.563 6.312 0.3816 0.4311 0.6073
841MeOH O2 2522 0.099 1.652 6.192 -0.4198 0.3366 0.3053
841MeOH H3 2523 0.088 1.748 6.219 0.7846 0.3948 0.6337
842MeOH Me1 2524 3.129 4.732 4.726 0.2144 -0.8886 0.2668
842MeOH O2 2525 2.992 4.686 4.676 0.4409 -0.7695 -0.4785
842MeOH H3 2526 2.924 4.755 4.702 0.0140 -1.7583 1.1228
843MeOH Me1 2527 1.355 2.361 5.578 -0.1543 -0.4221 0.4515
843MeOH O2 2528 1.228 2.281 5.605 -0.1971 -0.1463 1.0720
843MeOH H3 2529 1.151 2.326 5.559 0.1282 -1.4629 -0.8956
844MeOH Me1 2530 4.170 4.560 7.506 0.1782 0.4063 0.2839
844MeOH O2 2531 4.253 4.436 7.540 -0.2013 0.0580 -0.0374
844MeOH H3 2532 4.346 4.450 7.507 0.0740 0.2423 0.7973
845MeOH Me1 2533 3.205 1.545 5.139 -0.2841 0.2466 -0.5894
845MeOH O2 2534 3.297 1.664 5.168 -0.0184 -0.0270 -0.3021
845MeOH H3 2535 3.257 1.746 5.127 -1.0877 0.6385 1.9317
846MeOH Me1 2536 2.163 3.727 6.660 -0.1715 0.0896 -0.3347
846MeOH O2 2537 2.182 3.757 6.511 -0.4424 -0.0183 -0.3927
846MeOH H3 2538 2.097 3.736 6.463 -1.0920 1.5357 0.0291
847MeOH Me1 2539 4.840 1.700 1.011 0.6833 -0.0828 -0.3947
847MeOH O2 2540 4.815 1.848 0.982 0.2909 -0.0824 -0.0676
847MeOH H3 2541 4.826 1.899 1.067 -0.2853 -0.2920 0.1397
848MeOH Me1 2542 4.696 2.781 4.805 -0.1371 0.0313 0.0144
848MeOH O2 2543 4.640 2.724 4.935 0.3454 0.1595 0.2814
848MeOH H3 2544 4.659 2.626 4.938 1.3754 0.3578 0.8476
849MeOH Me1 2545 1.795 2.497 1.932 -0.7679 -0.2425 0.0077
849MeOH O2 2546 1.862 2.382 2.009 -0.7004 0.1602 0.5507
849MeOH H3 2547 1.877 2.413 2.103 -1.5775 0.2903 0.6645
850MeOH Me1 2548 1.304 1.701 6.538 -0.6103 0.3354 0.5685
850MeOH O2 2549 1.191 1.628 6.612 -0.3125 0.0965 0.7905
850MeOH H3 2550 1.172 1.543 6.564 -1.8786 1.1851 -0.6089
851MeOH Me1 2551 5.092 2.839 10.071 0.4152 -0.0066 -0.0743
851MeOH O2 2552 4.948 2.794 10.097 0.4374 -0.1811 -0.2024
851MeOH H3 2553 4.921 2.729 10.026 -0.4920 2.1441 -2.1440
852MeOH Me1 2554 0.916 2.018 4.723 -0.0414 0.2819 0.4315
852MeOH O2 2555 0.829 1.900 4.680 -0.3018 0.6823 -0.1664
852MeOH H3 2556 0.888 1.819 4.672 -0.7107 0.2646 0.8564
853MeOH Me1 2557 0.324 3.761 6.461 -0.3147 0.1732 0.2448
853MeOH O2 2558 0.326 3.907 6.417 -0.5673 0.3205 0.7172
853MeOH H3 2559 0.348 3.911 6.320 0.8207 0.7445 1.0337
854MeOH Me1 2560 2.032 3.441 10.006 0.1608 0.4239 -0.7523
854MeOH O2 2561 2.174 3.398 10.042 -0.1129 -0.2773 -0.4854
854MeOH H3 2562 2.216 3.471 10.097 -0.5625 -1.3706 1.3881
855MeOH Me1 2563 3.284 2.935 6.863 -0.4913 0.5108 0.6134
855MeOH O2 2564 3.166 2.863 6.797 -0.2713 0.1273 0.6384
855MeOH H3 2565 3.087 2.867 6.859 -0.1307 -0.5678 0.8762
856MeOH Me1 2566 0.907 4.797 9.131 0.1594 -0.0627 0.2557
856MeOH O2 2567 0.945 4.932 9.194 0.4819 -0.0027 -0.0606
856MeOH H3 2568 0.935 4.924 9.293 -0.9519 0.6782 -0.1193
857MeOH Me1 2569 1.723 1.604 6.422 0.5352 -0.2195 -0.3394
857MeOH O2 2570 1.764 1.723 6.509 -0.8552 -0.2125 0.3355
857MeOH H3 2571 1.861 1.742 6.493 -0.4107 -0.5741 2.3207
858MeOH Me1 2572 3.268 2.585 7.225 0.2239 -0.3519 -0.0516
858MeOH O2 2573 3.354 2.711 7.224 -0.1784 -0.0674 0.4258
858MeOH H3 2574 3.434 2.695 7.166 0.2016 0.1918 0.8658
859MeOH Me1 2575 1.539 4.639 4.765 -0.1067 -0.4008 0.4184
859MeOH O2 2576 1.629 4.516 4.751 -0.1045 -0.4986 1.1565
859MeOH H3 2577 1.574 4.435 4.768 -0.7360 -0.5360 -0.8192
860MeOH Me1 2578 2.735 1.833 6.825 0.0959 0.0676 -0.1099
860MeOH O2 2579 2.866 1.835 6.746 -0.0533 0.1298 -0.3519
860MeOH H3 2580 2.923 1.909 6.781 -0.6155 1.1006 -1.3949
861MeOH Me1 2581 1.430 1.227 3.336 0.1356 -0.4143 0.6421
861MeOH O2 2582 1.508 1.172 3.216 -0.0038 0.0010 0.3586
861MeOH H3 2583 1.442 1.139 3.149 -0.1586 1.9873 -0.5430
862MeOH Me1 2584 1.292 1.392 9.888 -0.9284 -0.2537 0.0021
862MeOH O2 2585 1.259 1.254 9.832 -0.8081 -0.2857 0.0095
862MeOH H3 2586 1.221 1.265 9.740 -2.0242 -0.2311 0.4981
863MeOH Me1 2587 4.602 2.143 0.939 0.7339 -0.0864 0.2273
863MeOH O2 2588 4.703 2.081 0.843 0.1068 -0.3937 -0.2447
863MeOH H3 2589 4.717 1.985 0.869 -0.4201 -0.5715 -0.6109
864MeOH Me1 2590 4.830 2.289 3.037 0.1490 0.6073 -0.0705
864MeOH O2 2591 4.927 2.314 2.922 0.0050 -0.1119 -0.3515
864MeOH H3 2592 4.943 2.412 2.914 0.9664 -0.2421 -0.1852
865MeOH Me1 2593 2.059 0.722 10.781 -0.1471 0.1348 0.2849
865MeOH O2 2594 1.972 0.758 10.902 0.0654 -0.7021 0.6899
865MeOH H3 2595 1.893 0.696 10.903 -0.0481 -0.5670 0.2895
866MeOH Me1 2596 4.140 4.770 10.149 -0.1199 -0.4013 -0.2477
866MeOH O2 2597 4.233 4.755 10.029 -0.7115 -0.3116 -0.7224
866MeOH H3 2598 4.299 4.682 10.048 -0.9471 -0.6867 -1.3192
867MeOH Me1 2599 1.318 0.533 29.824 -0.6552 0.0466 -0.0770
867MeOH O2 2600 1.286 0.398 29.760 0.3560 -0.2236 -0.0321
867MeOH H3 2601 1.279 0.329 29.833 1.3353 -0.3577 -0.0469
868MeOH Me1 2602 3.621 2.269 2.761 0.5385 -0.6585 -0.6887
868MeOH O2 2603 3.545 2.305 2.634 -0.6268 -0.0351 0.1579
868MeOH H3 2604 3.610 2.312 2.559 -1.2083 0.9605 -0.2750
869MeOH Me1 2605 3.625 3.327 11.201 0.0178 -0.0990 -0.2113
869MeOH O2 2606 3.548 3.327 11.069 -0.3817 0.6909 0.0152
869MeOH H3 2607 3.583 3.253 11.011 -2.1876 -0.5590 0.4225
870MeOH Me1 2608 3.275 1.985 2.394 0.6606 -0.3744 0.2041
870MeOH O2 2609 3.245 1.979 2.244 -0.0850 0.1619 0.3252
870MeOH H3 2610 3.292 1.900 2.205 -1.7368 -0.7922 0.1435
871MeOH Me1 2611 2.480 3.360 2.282 0.4156 -0.3932 -0.3513
871MeOH O2 2612 2.572 3.399 2.399 0.6090 -0.3399 -0.5207
871MeOH H3 2613 2.636 3.323 2.415 -1.3262 -1.6658 1.3873
872MeOH Me1 2614 4.334 0.195 29.870 0.3551 0.1294 0.0935
872MeOH O2 2615 4.426 0.315 29.845 -0.4868 0.5904 -0.8739
872MeOH H3 2616 4.397 0.361 29.761 -2.6302 1.4274 0.2480
873MeOH Me1 2617 1.895 3.688 8.361 -0.3781 0.1717 -0.1624
873MeOH O2 2618 1.914 3.675 8.210 0.0318 0.0755 -0.1056
873MeOH H3 2619 1.943 3.581 8.190 -0.6228 -0.1549 -0.0289
874MeOH Me1 2620 4.430 3.405 29.578 -0.0208 0.0325 0.4454
874MeOH O2 2621 4.426 3.384 29.426 0.2685 0.2075 0.4053
874MeOH H3 2622 4.481 3.304 29.404 -1.2205 -0.9100 0.6310
875MeOH Me1 2623 1.730 1.692 9.734 -0.1660 0.1247 -0.0590
875MeOH O2 2624 1.697 1.793 9.624 0.1186 0.1725 -0.1036
875MeOH H3 2625 1.779 1.844 9.601 0.3162 -0.2227 -0.2827
876MeOH Me1 2626 4.007 4.677 7.030 0.3456 -0.5188 -0.1398
876MeOH O2 2627 3.958 4.813 6.980 0.5376 -0.1637 0.6221
876MeOH H3 2628 3.903 4.798 6.898 1.3726 0.4683 -0.0637
877MeOH Me1 2629 0.051 3.749 29.656 -0.4604 -0.0461 0.2552
877MeOH O2 2630 0.189 3.767 29.721 -0.4955 0.5872 0.1551
877MeOH H3 2631 0.177 3.818 29.806 -0.8007 -0.3606 0.6880
878MeOH Me1 2632 3.576 4.040 6.348 -0.3992 -0.1843 0.0824
878MeOH O2 2633 3.630 3.937 6.248 0.2051 0.2793 -0.0791
878MeOH H3 2634 3.661 3.857 6.300 0.5394 0.3220 -0.2151
879MeOH Me1 2635 3.720 4.301 8.605 -0.2449 0.1964 -0.4217
879MeOH O2 2636 3.578 4.356 8.623 -0.1997 0.2178 -0.1458
879MeOH H3 2637 3.513 4.282 8.605 -0.2408 -0.3637 2.0718
880MeOH Me1 2638 4.697 4.671 5.783 0.3376 -0.7149 1.0616
880MeOH O2 2639 4.781 4.789 5.834 0.2743 -0.2090 0.0274
880MeOH H3 2640 4.803 4.848 5.756 1.2803 -1.5212 -0.7323
881MeOH Me1 2641 0.616 3.881 3.572 -0.4766 0.0422 0.1038
881MeOH O2 2642 0.560 3.779 3.472 -0.5357 0.1807 -0.0041
881MeOH H3 2643 0.637 3.726 3.435 -0.3540 1.2649 -1.2860
882MeOH Me1 2644 1.790 4.916 0.924 0.1200 0.2802 -0.1784
882MeOH O2 2645 1.750 5.030 0.829 -0.1724 -0.0083 -0.4037
882MeOH H3 2646 1.834 5.073 0.795 -0.2421 -0.7322 -1.5594
883MeOH Me1 2647 0.260 3.445 2.324 -0.2124 0.2608 0.3737
883MeOH O2 2648 0.296 3.297 2.315 -0.4414 0.2025 0.3987
883MeOH H3 2649 0.307 3.261 2.407 -1.1452 0.0371 0.4194
884MeOH Me1 2650 1.875 1.961 10.528 0.4902 0.6554 0.1931
884MeOH O2 2651 1.863 2.102 10.471 -0.1719 0.3892 -0.3387
884MeOH H3 2652 1.955 2.140 10.460 -0.3776 1.1458 0.4569
885MeOH Me1 2653 4.167 0.925 7.441 0.4252 0.5238 -0.8116
885MeOH O2 2654 4.114 0.960 7.580 -0.4321 -0.7988 -0.7863
885MeOH H3 2655 4.128 1.058 7.596 0.9004 -1.2041 0.8350
886MeOH Me1 2656 0.825 2.198 1.333 -0.1726 -0.4259 0.0426
886MeOH O2 2657 0.973 2.236 1.319 -0.3262 0.2038 0.1063
886MeOH H3 2658 1.027 2.177 1.379 -0.1884 1.0779 0.8699
887MeOH Me1 2659 4.080 3.743 3.071 -0.3353 0.2048 -0.5169
887MeOH O2 2660 4.183 3.804 2.976 0.3366 0.3064 0.2591
887MeOH H3 2661 4.251 3.853 3.030 -1.0718 1.8597 0.7159
888MeOH Me1 2662 4.040 4.567 5.282 0.2767 0.2382 0.5911
888MeOH O2 2663 3.895 4.584 5.236 0.4371 -0.1717 -0.0829
888MeOH H3 2664 3.865 4.500 5.191 0.4714 -0.7629 0.9610
889MeOH Me1 2665 0.844 0.115 5.093 0.2613 0.1207 0.2745
889MeOH O2 2666 0.935 -0.002 5.054 0.2255 0.0683 0.3184
889MeOH H3 2667 0.987 -0.029 5.134 0.6185 0.4519 0.1990
890MeOH Me1 2668 4.689 4.890 9.286 -0.3876 0.1893 0.4256
890MeOH O2 2669 4.576 4.985 9.326 -0.3680 0.4757 -0.1795
890MeOH H3 2670 4.523 5.008 9.244 1.2628 2.1339 -0.8609
891MeOH Me1 2671 5.114 3.815 1.330 -0.1864 -0.3391 0.0714
891MeOH O2 2672 4.987 3.806 1.415 -0.2727 -0.6063 -0.0848
891MeOH H3 2673 4.936 3.724 1.388 -0.3541 -0.4085 -0.5449
892MeOH Me1 2674 4.031 4.620 6.253 -0.0100 -0.0692 0.2719
892MeOH O2 2675 4.108 4.489 6.234 -0.3843 -0.1368 -0.7958
892MeOH H3 2676 4.076 4.423 6.301 -0.2650 -0.4591 -1.0516
893MeOH Me1 2677 2.964 0.698 2.599 -0.0302 -0.2212 -0.1969
893MeOH O2 2678 3.103 0.633 2.598 0.0096 -0.1374 -0.6685
893MeOH H3 2679 3.171 0.705 2.610 0.0353 -0.0418 -1.3505
894MeOH Me1 2680 3.008 4.368 10.052 -0.5419 -0.0251 0.4209
894MeOH O2 2681 2.879 4.444 10.020 -0.4936 -0.2469 -0.3065
894MeOH H3 2682 2.815 4.381 9.977 -0.8169 -0.8253 0.9831
895MeOH Me1 2683 0.409 0.605 5.433 0.0674 -0.0872 -0.0124
895MeOH O2 2684 0.359 0.732 5.502 -0.1930 0.0822 -0.5069
895MeOH H3 2685 0.309 0.787 5.436 0.6504 0.2518 -1.0136
896MeOH Me1 2686 0.465 0.604 1.459 0.1324 -0.4661 -0.4001
896MeOH O2 2687 0.313 0.625 1.467 0.1383 -0.5429 -0.0693
896MeOH H3 2688 0.296 0.718 1.499 0.1781 0.6305 -3.1363
897MeOH Me1 2689 1.890 1.901 7.146 -0.4911 -0.0295 0.2884
897MeOH O2 2690 1.985 1.899 7.266 -0.0261 0.5297 -0.0700
897MeOH H3 2691 2.010 1.994 7.288 0.4366 0.6138 -0.9155
898MeOH Me1 2692 2.229 0.783 8.989 0.0283 -0.5854 -0.2757
898MeOH O2 2693 2.077 0.777 8.973 0.0257 0.0518 -0.5329
898MeOH H3 2694 2.044 0.868 8.948 0.3878 0.3205 -0.0566
899MeOH Me1 2695 4.919 3.847 1.775 0.0811 -0.5850 0.4924
899MeOH O2 2696 5.038 3.891 1.690 -0.4140 -0.5497 -0.1960
899MeOH H3 2697 5.022 3.863 1.595 -0.4373 -1.5875 0.1009
900MeOH Me1 2698 4.187 0.509 2.670 -0.4408 0.3755 0.3884
900MeOH O2 2699 4.332 0.556 2.659 -0.7603 1.2452 -0.1026
900MeOH H3 2700 4.389 0.497 2.717 -0.6175 3.4984 2.2432
901MeOH Me1 2701 0.983 3.134 1.530 0.4675 0.0493 -0.1784
901MeOH O2 2702 1.057 3.095 1.401 0.4060 0.2131 -0.2640
901MeOH H3 2703 1.118 3.018 1.422 0.7668 0.4902 -0.2811
902MeOH Me1 2704 3.669 3.152 9.124 0.1725 0.6495 0.0578
902MeOH O2 2705 3.783 3.159 9.226 -0.2156 -0.0929 0.5493
902MeOH H3 2706 3.765 3.091 9.298 0.5191 -2.0793 -1.0474
903MeOH Me1 2707 3.151 0.027 10.260 -0.4410 0.1525 -0.5380
903MeOH O2 2708 3.118 0.071 10.403 -0.1929 0.5222 -0.5949
903MeOH H3 2709 3.133 -0.007 10.464 -1.3645 0.2862 -0.5946
904MeOH Me1 2710 0.930 1.410 6.661 0.1150 0.0346 0.3954
904MeOH O2 2711 1.071 1.377 6.612 -0.1598 -0.0313 -0.3620
904MeOH H3 2712 1.069 1.288 6.566 -0.5634 0.2121 -0.8191
905MeOH Me1 2713 3.215 2.914 9.861 0.8602 -0.1554 0.3387
905MeOH O2 2714 3.280 2.797 9.935 0.2827 -0.6196 0.1211
905MeOH H3 2715 3.253 2.712 9.889 0.2091 -0.3743 -0.2978
906MeOH Me1 2716 0.803 4.386 9.460 0.1760 0.2350 -0.5425
906MeOH O2 2717 0.892 4.283 9.530 0.0005 0.4839 0.0504
906MeOH H3 2718 0.854 4.264 9.621 0.9962 2.4898 0.9495
907MeOH Me1 2719 4.613 3.213 1.316 -0.1942 0.3425 0.1279
907MeOH O2 2720 4.593 3.072 1.261 0.0493 0.2210 0.3471
907MeOH H3 2721 4.647 3.063 1.177 -0.0163 0.2178 0.3048
908MeOH Me1 2722 2.526 1.516 8.630 -0.0569 0.1999 0.1294
908MeOH O2 2723 2.375 1.525 8.608 -0.0738 0.1705 0.2359
908MeOH H3 2724 2.334 1.436 8.627 0.2768 -0.6147 -2.2723
909MeOH Me1 2725 4.293 1.371 0.416 0.1809 0.2811 -0.0695
909MeOH O2 2726 4.367 1.347 0.285 -0.4059 -0.0290 -0.3459
909MeOH H3 2727 4.455 1.305 0.305 0.5322 1.7677 -0.4678
910MeOH Me1 2728 4.116 3.416 2.870 0.7418 0.1056 -0.1522
910MeOH O2 2729 4.242 3.388 2.952 0.3059 -0.1651 0.4231
910MeOH H3 2730 4.302 3.468 2.947 -0.3357 0.5092 2.3005
911MeOH Me1 2731 2.773 0.248 8.908 0.0713 0.1874 -0.2252
911MeOH O2 2732 2.767 0.101 8.950 -1.0233 0.1254 -0.5810
911MeOH H3 2733 2.791 0.045 8.871 0.2698 0.2122 -0.2655
912MeOH Me1 2734 4.437 1.091 8.683 -0.1623 -0.1286 -0.0452
912MeOH O2 2735 4.309 1.020 8.729 -0.2141 -0.0301 -0.0371
912MeOH H3 2736 4.244 1.020 8.653 0.5320 -1.7788 -0.7496
913MeOH Me1 2737 3.582 2.243 4.660 -0.0394 -0.3713 -0.1436
913MeOH O2 2738 3.506 2.115 4.624 -0.4965 -0.2341 0.3188
913MeOH H3 2739 3.414 2.120 4.662 -0.9498 0.8561 -0.8705
914MeOH Me1 2740 0.762 1.529 29.498 -0.4715 -0.3353 -0.0618
914MeOH O2 2741 0.632 1.600 29.461 -0.1683 0.1994 -0.1090
914MeOH H3 2742 0.566 1.531 29.432 -0.8342 0.3147 1.0386
915MeOH Me1 2743 3.285 4.451 8.478 0.1637 0.2635 -0.6455
915MeOH O2 2744 3.176 4.533 8.407 -0.3093 0.6204 0.4692
915MeOH H3 2745 3.139 4.478 8.333 -0.1493 1.3316 -0.1443
916MeOH Me1 2746 3.406 4.216 7.947 0.2191 0.3065 -0.0452
916MeOH O2 2747 3.482 4.115 7.860 -0.3701 -0.2370 0.0822
916MeOH H3 2748 3.580 4.128 7.875 -0.2933 -1.1122 0.4171
917MeOH Me1 2749 0.573 3.154 5.308 0.1800 0.2651 -0.0079
917MeOH O2 2750 0.461 3.252 5.344 0.1038 0.1796 -0.0176
917MeOH H3 2751 0.418 3.222 5.429 0.1780 0.1769 0.0224
918MeOH Me1 2752 1.661 3.796 6.115 -0.1745 -0.7549 -0.5129
918MeOH O2 2753 1.663 3.722 6.249 -0.1087 -0.1681 -0.1687
918MeOH H3 2754 1.594 3.763 6.309 0.1446 0.3121 -0.2059
919MeOH Me1 2755 1.070 2.806 9.407 -0.2227 -0.8801 0.3478
919MeOH O2 2756 0.974 2.844 9.520 -0.3350 0.7973 -0.2795
919MeOH H3 2757 0.887 2.872 9.480 -0.9257 -1.5634 -0.7745
920MeOH Me1 2758 1.520 2.534 4.513 -0.0004 0.0495 0.5689
920MeOH O2 2759 1.671 2.545 4.494 -0.0387 0.0387 0.2470
920MeOH H3 2760 1.705 2.458 4.458 -0.0945 -0.0251 0.3498
921MeOH Me1 2761 0.421 4.449 0.812 0.1692 -0.2824 -0.3788
921MeOH O2 2762 0.485 4.535 0.923 -0.3366 0.2501 -0.4980
921MeOH H3 2763 0.477 4.631 0.897 -0.1680 0.1226 -1.0424
922MeOH Me1 2764 0.294 2.894 1.888 -0.1400 0.1121 -0.2554
922MeOH O2 2765 0.394 2.961 1.795 0.2620 -0.1216 0.0021
922MeOH H3 2766 0.486 2.932 1.820 0.1139 -0.5089 0.0998
923MeOH Me1 2767 1.406 4.533 5.992 -0.3307 -0.0340 -0.3619
923MeOH O2 2768 1.430 4.389 5.944 -0.0017 0.0689 -0.5088
923MeOH H3 2769 1.405 4.384 5.847 1.6923 0.5435 -0.9972
924MeOH Me1 2770 3.942 3.749 7.562 0.4722 0.4149 -0.2087
924MeOH O2 2771 4.051 3.846 7.609 0.0308 0.6901 0.2751
924MeOH H3 2772 4.136 3.825 7.560 0.0236 1.5825 -0.1478
925MeOH Me1 2773 4.787 1.208 8.212 0.1128 -0.1095 -0.4382
925MeOH O2 2774 4.781 1.084 8.301 0.5514 0.0330 -0.2064
925MeOH H3 2775 4.831 1.010 8.256 1.2053 0.2586 0.1454
926MeOH Me1 2776 0.438 1.065 9.622 -0.4193 -0.5115 -0.3027
926MeOH O2 2777 0.314 1.155 9.618 -0.2892 -0.3316 -0.2892
926MeOH H3 2778 0.234 1.099 9.637 -0.0311 0.4745 4.3147
927MeOH Me1 2779 1.721 1.740 3.852 -0.2420 0.6850 -0.9165
927MeOH O2 2780 1.815 1.861 3.846 0.0021 0.5800 0.3521
927MeOH H3 2781 1.785 1.920 3.771 -0.5779 2.0251 1.6670
928MeOH Me1 2782 4.984 2.003 3.269 -0.1800 -0.3199 0.6192
928MeOH O2 2783 4.882 2.103 3.324 -0.2123 -0.0984 0.1655
928MeOH H3 2784 4.793 2.058 3.330 -0.6242 0.4627 -1.4044
929MeOH Me1 2785 2.232 4.532 0.013 0.1833 0.2452 0.2967
929MeOH O2 2786 2.227 4.677 0.064 -0.0199 0.1850 0.4520
929MeOH H3 2787 2.286 4.733 0.005 0.6557 0.1523 1.0901
930MeOH Me1 2788 1.701 2.085 9.875 0.0511 -0.2014 -0.0263
930MeOH O2 2789 1.734 2.216 9.947 -0.3461 0.0072 -0.2201
930MeOH H3 2790 1.769 2.195 10.038 1.4121 0.1501 -0.8162
931MeOH Me1 2791 0.644 4.480 2.602 0.0232 0.2675 -0.0234
931MeOH O2 2792 0.771 4.417 2.658 -0.0181 -0.3476 -0.5973
931MeOH H3 2793 0.826 4.382 2.582 -1.2218 -1.9754 -0.7558
932MeOH Me1 2794 4.396 3.423 5.362 -0.2453 -0.4224 0.5619
932MeOH O2 2795 4.519 3.507 5.399 0.1728 -0.7807 -0.0098
932MeOH H3 2796 4.580 3.510 5.319 0.6064 -2.3454 0.2296
933MeOH Me1 2797 3.585 1.124 9.357 0.5432 0.2641 -0.2799
933MeOH O2 2798 3.708 1.047 9.405 0.0745 -0.1349 0.3039
933MeOH H3 2799 3.702 0.953 9.371 1.0977 0.4967 -1.8480
934MeOH Me1 2800 4.694 2.797 7.794 -0.6939 0.1592 0.1940
934MeOH O2 2801 4.675 2.700 7.911 0.0142 -0.1402 0.0638
934MeOH H3 2802 4.628 2.618 7.878 0.0026 -0.1470 0.0972
935MeOH Me1 2803 3.002 4.899 6.080 0.0612 -0.6330 -0.5658
935MeOH O2 2804 3.073 4.972 5.966 -0.0291 -0.1777 -0.3348
935MeOH H3 2805 3.063 4.918 5.883 -1.1395 0.7539 -0.8185
936MeOH Me1 2806 4.992 2.012 6.978 0.3329 -0.1068 0.2053
936MeOH O2 2807 4.984 2.158 6.934 -0.4565 -0.1397 0.2331
936MeOH H3 2808 5.040 2.213 6.996 -1.5339 0.2930 0.8457
937MeOH Me1 2809 0.926 2.704 0.084 0.2237 0.4025 -0.0963
937MeOH O2 2810 0.781 2.654 0.080 0.2814 0.2234 0.0810
937MeOH H3 2811 0.782 2.556 0.060 0.3234 0.4691 -1.1610
938MeOH Me1 2812 0.332 2.149 6.794 0.3519 0.0592 -0.2187
938MeOH O2 2813 0.456 2.123 6.879 0.5108 0.6174 -0.2488
938MeOH H3 2814 0.491 2.211 6.912 -0.7625 0.6819 0.9895
939MeOH Me1 2815 4.795 3.431 10.660 -0.2216 -0.7432 0.4140
939MeOH O2 2816 4.717 3.355 10.552 0.4194 -0.1173 -0.5112
939MeOH H3 2817 4.770 3.275 10.526 0.2086 -0.4131 -0.0551
940MeOH Me1 2818 0.997 4.506 8.438 0.3477 0.1390 0.3274
940MeOH O2 2819 1.022 4.537 8.290 0.0336 -0.3904 0.1620
940MeOH H3 2820 0.964 4.615 8.263 0.7946 0.2363 0.3033
941MeOH Me1 2821 1.760 3.271 6.809 0.1631 0.0974 0.3187
941MeOH O2 2822 1.642 3.206 6.881 0.3104 -0.2949 0.2070
941MeOH H3 2823 1.569 3.191 6.815 0.2268 -0.0610 0.2451
942MeOH Me1 2824 3.495 3.012 7.139 -0.1945 -0.4422 0.0033
942MeOH O2 2825 3.585 3.073 7.032 -0.6309 0.0652 -0.0803
942MeOH H3 2826 3.672 3.098 7.074 0.0265 -1.3122 -0.5651
943MeOH Me1 2827 0.194 3.622 0.879 0.2760 0.5448 0.6192
943MeOH O2 2828 0.147 3.582 1.019 -0.4505 -0.4795 0.0957
943MeOH H3 2829 0.227 3.577 1.079 -0.6604 -1.6855 0.2974
944MeOH Me1 2830 0.160 1.687 0.226 0.0140 0.3726 -0.0526
944MeOH O2 2831 0.294 1.761 0.230 0.2173 -0.0260 0.4980
944MeOH H3 2832 0.317 1.777 0.326 -1.0141 1.4621 0.5837
945MeOH Me1 2833 4.872 4.199 10.030 0.2644 -0.1683 -0.0125
945MeOH O2 2834 4.868 4.235 9.882 -0.5578 -0.5831 -0.1028
945MeOH H3 2835 4.863 4.150 9.829 0.1572 -0.7801 0.1340
946MeOH Me1 2836 1.006 0.217 6.108 -0.1114 0.7159 0.1436
946MeOH O2 2837 1.139 0.245 6.037 -0.0962 -0.5320 -0.3383
946MeOH H3 2838 1.197 0.299 6.098 0.4122 -0.6199 -0.7428
947MeOH Me1 2839 3.824 0.472 6.244 -0.5855 0.4590 0.6236
947MeOH O2 2840 3.754 0.513 6.114 -0.2887 0.5996 0.5059
947MeOH H3 2841 3.711 0.602 6.128 0.5460 1.0563 0.1815
948MeOH Me1 2842 2.189 1.343 7.877 0.4508 0.2494 -0.1430
948MeOH O2 2843 2.239 1.253 7.763 0.1150 0.3565 -0.3738
948MeOH H3 2844 2.328 1.216 7.788 1.2759 2.1123 -1.5965
949MeOH Me1 2845 4.392 4.210 3.956 -0.7105 0.4760 -0.1224
949MeOH O2 2846 4.399 4.269 3.814 -0.9000 -0.1033 -0.3722
949MeOH H3 2847 4.417 4.194 3.750 1.2682 -0.0864 0.1419
950MeOH Me1 2848 2.710 1.909 2.506 0.3376 -0.3523 -0.0563
950MeOH O2 2849 2.709 1.758 2.531 0.1805 -0.3403 0.0137
950MeOH H3 2850 2.625 1.720 2.493 -0.4674 -0.0843 1.1520
951MeOH Me1 2851 1.259 4.715 0.397 0.0594 -0.0827 0.2070
951MeOH O2 2852 1.360 4.600 0.399 0.4468 0.2477 -0.0087
951MeOH H3 2853 1.435 4.622 0.338 0.7682 0.9690 0.6275
952MeOH Me1 2854 2.476 2.116 1.430 -0.0524 -0.2339 -0.0667
952MeOH O2 2855 2.340 2.143 1.497 0.1901 0.3263 0.2040
952MeOH H3 2856 2.298 2.056 1.520 0.0199 0.5059 0.5895
953MeOH Me1 2857 0.198 0.432 3.356 -0.1738 0.2981 0.2272
953MeOH O2 2858 0.229 0.478 3.498 -1.2640 0.2496 0.4904
953MeOH H3 2859 0.308 0.539 3.495 -0.0061 -1.2698 1.3315
954MeOH Me1 2860 2.552 3.021 8.683 0.4126 -0.0446 -0.1687
954MeOH O2 2861 2.684 2.957 8.730 0.2465 0.1756 0.6201
954MeOH H3 2862 2.663 2.875 8.781 0.0414 0.6818 1.3661
955MeOH Me1 2863 4.898 1.838 10.086 0.2774 -0.8685 0.1709
955MeOH O2 2864 4.773 1.831 9.998 0.4466 0.2678 -0.1794
955MeOH H3 2865 4.798 1.857 9.905 1.3553 -1.5824 -0.5064
956MeOH Me1 2866 2.190 -0.062 8.650 -0.0929 -0.6044 0.1070
956MeOH O2 2867 2.234 0.068 8.719 -0.3856 -0.1758 -0.5003
956MeOH H3 2868 2.154 0.127 8.730 -0.7324 -0.7426 0.1524
957MeOH Me1 2869 4.538 4.114 9.080 -0.3677 0.3558 -0.1089
957MeOH O2 2870 4.414 4.027 9.103 -0.0286 -0.0299 0.2949
957MeOH H3 2871 4.373 4.053 9.190 1.2646 -1.5054 1.4106
958MeOH Me1 2872 4.012 0.746 8.290 1.0128 -0.2844 -0.3848
958MeOH O2 2873 3.924 0.623 8.313 -0.0467 0.6959 0.9744
958MeOH H3 2874 3.983 0.545 8.333 -0.6261 0.0847 0.3353
959MeOH Me1 2875 4.289 4.091 6.828 -0.1490 -0.0735 -0.1444
959MeOH O2 2876 4.404 4.184 6.868 0.1158 -0.2544 -0.4235
959MeOH H3 2877 4.485 4.159 6.815 0.0212 -0.5876 -0.4110
960MeOH Me1 2878 5.034 0.443 7.243 0.7842 0.1173 0.6762
960MeOH O2 2879 4.948 0.412 7.366 0.3872 0.2198 0.4267
960MeOH H3 2880 4.875 0.349 7.338 0.5822 0.0540 0.2817
961MeOH Me1 2881 3.146 3.250 7.607 0.0669 0.3028 0.1454
961MeOH O2 2882 3.058 3.333 7.700 0.5419 0.4323 0.4852
961MeOH H3 2883 2.987 3.274 7.738 -0.6663 0.9754 -0.8385
962MeOH Me1 2884 1.806 3.391 29.878 -0.2411 -0.2726 0.4011
962MeOH O2 2885 1.837 3.464 30.009 0.0123 -0.0898 0.2583
962MeOH H3 2886 1.921 3.426 30.047 -0.0669 -0.2344 0.2825
963MeOH Me1 2887 5.071 1.594 7.128 -0.1117 -0.3833 -0.0967
963MeOH O2 2888 5.025 1.728 7.071 0.4361 0.1915 0.7921
963MeOH H3 2889 4.929 1.742 7.095 0.0151 -0.3564 -0.5098
964MeOH Me1 2890 3.337 4.217 9.769 -0.1037 0.7042 0.1954
964MeOH O2 2891 3.193 4.266 9.787 -0.1375 0.6143 0.1713
964MeOH H3 2892 3.193 4.366 9.784 -0.0484 0.6558 1.2566
965MeOH Me1 2893 4.126 2.497 10.503 -0.0613 -0.0049 -0.4236
965MeOH O2 2894 3.979 2.453 10.500 -0.2086 0.4486 0.0760
965MeOH H3 2895 3.928 2.516 10.442 0.1507 -0.4706 -1.2687
966MeOH Me1 2896 0.092 1.180 7.917 -0.4778 -0.4548 0.8283
966MeOH O2 2897 0.203 1.088 7.969 0.6043 0.4345 0.1462
966MeOH H3 2898 0.290 1.118 7.930 -0.0367 0.4086 -1.3602
967MeOH Me1 2899 2.142 3.202 2.463 -0.3376 0.1879 -0.3393
967MeOH O2 2900 2.259 3.128 2.399 -0.0009 0.3748 0.0613
967MeOH H3 2901 2.254 3.139 2.300 1.2537 1.7720 0.1049
968MeOH Me1 2902 1.092 3.339 4.096 0.0326 0.3441 -0.6079
968MeOH O2 2903 1.039 3.233 4.000 -0.4106 0.2319 -0.2431
968MeOH H3 2904 0.993 3.279 3.924 1.1085 0.2504 -1.1869
969MeOH Me1 2905 2.185 4.023 4.061 -0.5283 0.6278 0.0289
969MeOH O2 2906 2.036 3.999 4.034 -0.3836 0.1404 -0.3412
969MeOH H3 2907 2.023 3.901 4.015 0.0367 0.1571 -0.7428
970MeOH Me1 2908 1.293 1.124 6.130 -0.1141 -0.0886 0.0498
970MeOH O2 2909 1.378 1.123 6.257 -0.2384 -0.2788 0.1327
970MeOH H3 2910 1.387 1.217 6.290 0.0239 -0.2848 0.0841
971MeOH Me1 2911 1.607 2.817 7.585 -0.2464 0.3453 0.0091
971MeOH O2 2912 1.684 2.766 7.707 0.3090 0.4608 -0.2847
971MeOH H3 2913 1.764 2.716 7.676 -0.9055 -1.3528 -0.6939
972MeOH Me1 2914 4.500 2.934 8.155 -0.2682 0.2289 0.5630
972MeOH O2 2915 4.396 2.824 8.133 -0.1801 0.0489 1.0251
972MeOH H3 2916 4.315 2.846 8.188 -1.6742 2.1869 -1.7426
973MeOH Me1 2917 1.426 3.531 8.755 -0.1622 -0.0766 0.1500
973MeOH O2 2918 1.430 3.486 8.610 0.0655 0.6371 -0.0721
973MeOH H3 2919 1.364 3.540 8.558 -1.9812 -1.0206 0.6599
974MeOH Me1 2920 0.782 1.017 0.173 0.0883 -0.3797 0.1161
974MeOH O2 2921 0.892 1.092 0.249 -0.2200 0.2409 -0.0449
974MeOH H3 2922 0.920 1.037 0.328 0.4841 0.2030 -0.3081
975MeOH Me1 2923 5.090 1.573 4.456 0.5567 0.9775 0.3038
975MeOH O2 2924 4.976 1.603 4.553 -0.2952 -0.2990 -0.2696
975MeOH H3 2925 4.895 1.626 4.501 0.1864 0.4844 -0.6887
976MeOH Me1 2926 0.140 1.981 0.479 0.0664 0.1917 -0.5503
976MeOH O2 2927 0.155 2.129 0.443 -0.2730 0.3228 -0.1619
976MeOH H3 2928 0.089 2.152 0.372 -0.2992 0.3490 -0.1292
977MeOH Me1 2929 2.726 3.394 9.009 -0.2827 -0.1085 0.3137
977MeOH O2 2930 2.766 3.272 9.093 -0.4544 -0.0854 0.4282
977MeOH H3 2931 2.832 3.218 9.041 -0.1301 0.0513 0.6951
978MeOH Me1 2932 0.856 0.455 6.996 0.3068 -0.5294 -0.6415
978MeOH O2 2933 0.756 0.428 7.109 -0.0056 0.1527 -0.7551
978MeOH H3 2934 0.663 0.428 7.071 0.1074 -0.2590 -1.0639
979MeOH Me1 2935 4.919 2.916 7.382 0.4877 0.1119 -0.3574
979MeOH O2 2936 4.980 2.957 7.516 -0.0104 0.0744 -0.1177
979MeOH H3 2937 4.915 3.017 7.564 0.5673 1.6333 -1.1791
980MeOH Me1 2938 4.071 3.206 9.652 -0.2404 0.4365 0.1243
980MeOH O2 2939 4.040 3.352 9.685 -0.6580 0.5446 -0.7057
980MeOH H3 2940 3.955 3.378 9.639 -1.5847 -0.4368 0.3839
981MeOH Me1 2941 1.106 0.144 4.054 0.7456 -0.2525 -0.2222
981MeOH O2 2942 1.125 0.294 4.077 -0.6486 -0.1562 0.4708
981MeOH H3 2943 1.174 0.307 4.163 2.4823 -0.3470 -1.1127
982MeOH Me1 2944 0.168 1.746 0.742 0.0894 0.3217 0.5812
982MeOH O2 2945 0.299 1.825 0.739 0.3906 -0.1990 -0.5701
982MeOH H3 2946 0.327 1.844 0.833 0.3138 1.2923 -0.8187
983MeOH Me1 2947 4.548 2.830 0.145 -0.0563 -0.0970 -0.0358
983MeOH O2 2948 4.654 2.751 0.222 0.1956 0.1070 -0.1732
983MeOH H3 2949 4.689 2.808 0.296 0.3639 0.2668 -0.3721
984MeOH Me1 2950 4.999 1.003 4.763 0.3985 -0.0478 -0.1094
984MeOH O2 2951 5.012 0.999 4.915 0.1413 0.2478 -0.0809
984MeOH H3 2952 5.031 1.092 4.948 1.2467 0.1146 -0.3281
985MeOH Me1 2953 2.298 0.142 0.464 0.4285 -0.0438 -0.1561
985MeOH O2 2954 2.158 0.169 0.409 0.1632 -0.6990 0.1975
985MeOH H3 2955 2.160 0.254 0.356 -0.5861 -0.1639 1.0046
986MeOH Me1 2956 2.985 3.544 2.115 -0.4083 -0.8044 0.5081
986MeOH O2 2957 2.951 3.645 2.225 0.8301 0.1962 0.0006
986MeOH H3 2958 2.883 3.709 2.189 1.6688 0.8971 -0.3439
987MeOH Me1 2959 2.369 3.921 0.366 0.5810 -0.2174 -0.1623
987MeOH O2 2960 2.278 3.805 0.323 0.0793 0.0025 0.2913
987MeOH H3 2961 2.294 3.786 0.226 0.4004 -0.8027 0.4910
988MeOH Me1 2962 2.664 3.618 -0.051 0.4015 0.1238 -0.1257
988MeOH O2 2963 2.685 3.639 0.100 0.6495 -0.2133 -0.1111
988MeOH H3 2964 2.681 3.738 0.119 -1.0759 -0.3454 0.3695
989MeOH Me1 2965 0.776 0.758 7.815 -0.3514 -0.1690 -0.4718
989MeOH O2 2966 0.694 0.682 7.710 -0.4005 -0.5241 -0.1763
989MeOH H3 2967 0.618 0.636 7.757 0.6189 -1.8172 0.2788
990MeOH Me1 2968 0.856 2.978 0.818 0.0713 0.0105 0.3560
990MeOH O2 2969 0.789 2.865 0.739 0.2988 0.2446 -0.1753
990MeOH H3 2970 0.861 2.808 0.699 0.4807 -1.4081 2.3420
991MeOH Me1 2971 3.596 0.079 0.735 -0.3774 0.2843 -0.1039
991MeOH O2 2972 3.465 0.095 0.813 -0.2653 0.0916 0.1284
991MeOH H3 2973 3.394 0.040 0.767 -0.4888 0.7070 -0.2854
992MeOH Me1 2974 3.086 2.059 9.793 0.2212 -0.0762 -0.6309
992MeOH O2 2975 3.125 1.916 9.832 -0.5114 -0.0881 0.0956
992MeOH H3 2976 3.043 1.869 9.863 -0.6084 0.7426 1.1563
993MeOH Me1 2977 2.294 1.009 9.666 0.7056 -0.1524 -0.3451
993MeOH O2 2978 2.387 1.055 9.554 0.7065 -0.2206 -0.3736
993MeOH H3 2979 2.334 1.061 9.469 0.3748 1.0395 -0.1056
994MeOH Me1 2980 4.260 1.309 10.052 -0.3967 0.2443 0.4114
994MeOH O2 2981 4.354 1.210 10.120 -0.2917 0.1576 0.1397
994MeOH H3 2982 4.409 1.165 10.050 -0.6708 -0.0348 -0.0385
995MeOH Me1 2983 2.473 4.825 1.735 0.3083 0.3613 0.1649
995MeOH O2 2984 2.331 4.770 1.751 0.2502 0.4341 -0.0823
995MeOH H3 2985 2.337 4.673 1.775 0.1735 -0.9139 -4.5795
996MeOH Me1 2986 1.502 1.642 0.415 0.1420 -0.4161 0.1332
996MeOH O2 2987 1.426 1.673 0.286 0.3191 0.4255 0.2275
996MeOH H3 2988 1.472 1.627 0.210 0.0984 0.4571 0.0732
997MeOH Me1 2989 4.125 3.575 2.166 0.6554 0.3479 0.0435
997MeOH O2 2990 4.061 3.713 2.183 -0.4039 -0.1126 -0.1471
997MeOH H3 2991 4.089 3.771 2.107 1.9390 1.0350 1.4795
998MeOH Me1 2992 0.592 1.614 10.781 0.6866 -0.1402 -0.5497
998MeOH O2 2993 0.543 1.597 10.637 -0.1829 -0.0766 -0.2697
998MeOH H3 2994 0.524 1.500 10.622 1.5017 -0.3730 -0.7371
999MeOH Me1 2995 2.497 2.604 3.593 -0.7933 -0.4977 0.2046
999MeOH O2 2996 2.603 2.500 3.632 -0.4979 -0.2797 0.0054
999MeOH H3 2997 2.630 2.516 3.727 -0.8895 -0.6783 0.1865
1000MeOH Me1 2998 2.590 0.500 2.243 0.4681 0.1729 0.2121
1000MeOH O2 2999 2.483 0.445 2.149 0.5819 0.0524 0.1397
1000MeOH H3 3000 2.496 0.347 2.140 -0.9864 -0.4360 2.3579
1001MeOH Me1 3001 1.529 0.193 2.815 -0.8615 0.3042 0.4074
1001MeOH O2 3002 1.520 0.317 2.904 0.3064 0.6261 0.0944
1001MeOH H3 3003 1.442 0.372 2.874 0.4987 1.0144 0.2983
1002MeOH Me1 3004 2.835 4.877 9.539 0.2536 0.4017 0.1046
1002MeOH O2 3005 2.984 4.912 9.533 0.4446 -0.3100 0.6062
1002MeOH H3 3006 3.013 4.913 9.438 0.4453 0.8152 0.5999
1003MeOH Me1 3007 0.049 2.409 8.947 -0.0535 0.2015 -0.4311
1003MeOH O2 3008 0.176 2.425 9.031 -0.5272 -0.1383 0.3605
1003MeOH H3 3009 0.159 2.386 9.121 -0.6820 -1.5389 -0.2439
1004MeOH Me1 3010 2.734 2.764 5.510 0.6078 0.8631 0.3062
1004MeOH O2 3011 2.600 2.752 5.437 0.7497 -0.1762 0.2088
1004MeOH H3 3012 2.595 2.824 5.368 0.1225 -0.0396 0.3937
1005MeOH Me1 3013 4.024 3.262 2.424 0.3607 -0.1713 -0.1706
1005MeOH O2 3014 4.069 3.215 2.563 0.7077 -0.1414 -0.2703
1005MeOH H3 3015 4.160 3.175 2.555 0.9578 0.4402 -0.3782
1006MeOH Me1 3016 3.989 0.311 9.162 -0.6146 -0.4044 1.3535
1006MeOH O2 3017 4.119 0.326 9.242 0.4110 0.0398 -0.3328
1006MeOH H3 3018 4.162 0.412 9.217 -1.2169 1.1460 0.4642
1007MeOH Me1 3019 4.171 1.705 1.928 -0.7464 0.1576 -0.0290
1007MeOH O2 3020 4.096 1.837 1.951 -0.2743 0.3586 0.3844
1007MeOH H3 3021 4.027 1.847 1.879 0.2269 1.1688 0.0115
1008MeOH Me1 3022 3.414 3.785 7.991 0.0569 0.0809 -0.0150
1008MeOH O2 3023 3.506 3.822 7.875 0.0707 -0.1550 -0.0820
1008MeOH H3 3024 3.481 3.913 7.842 1.0328 0.4335 0.7174
1009MeOH Me1 3025 1.429 1.414 1.320 0.4598 -0.7539 0.0985
1009MeOH O2 3026 1.347 1.309 1.245 -0.2538 -0.1536 0.0185
1009MeOH H3 3027 1.360 1.221 1.290 0.7973 -0.6768 -1.2180
1010MeOH Me1 3028 0.300 1.765 9.171 0.1779 0.0352 0.0118
1010MeOH O2 3029 0.256 1.817 9.308 0.6661 -0.0617 0.2067
1010MeOH H3 3030 0.166 1.778 9.329 0.1673 0.9082 -0.0650
1011MeOH Me1 3031 3.803 1.926 1.772 -0.2225 0.2396 -0.4676
1011MeOH O2 3032 3.921 1.842 1.723 -0.1452 0.0332 0.0729
1011MeOH H3 3033 3.961 1.887 1.643 0.1056 -0.1996 0.0668
1012MeOH Me1 3034 4.714 1.800 4.004 0.0809 0.2855 -0.0048
1012MeOH O2 3035 4.651 1.707 4.107 0.0019 0.2665 -0.0707
1012MeOH H3 3036 4.597 1.638 4.059 0.4642 -0.0424 -0.1540
1013MeOH Me1 3037 0.702 4.374 5.927 0.4599 -0.1205 0.2115
1013MeOH O2 3038 0.674 4.227 5.963 -0.3841 0.1650 0.6898
1013MeOH H3 3039 0.757 4.174 5.944 -0.4210 -0.2458 1.6406
1014MeOH Me1 3040 2.378 2.291 10.621 -0.0295 -0.3549 0.2135
1014MeOH O2 3041 2.306 2.347 10.499 0.3343 -0.5839 -0.1079
1014MeOH H3 3042 2.361 2.422 10.461 0.2340 -0.3664 0.1749
1015MeOH Me1 3043 1.071 0.816 9.292 0.0429 -0.1401 -0.0677
1015MeOH O2 3044 0.924 0.814 9.249 0.2154 -0.2200 -0.6850
1015MeOH H3 3045 0.878 0.739 9.297 -0.1175 0.2425 -0.2833
1016MeOH Me1 3046 3.122 4.188 4.776 -0.0587 -0.5230 0.1167
1016MeOH O2 3047 3.264 4.241 4.757 -0.3976 0.2729 -0.2447
1016MeOH H3 3048 3.292 4.288 4.841 -0.6386 0.8957 -0.5067
1017MeOH Me1 3049 3.244 0.189 5.689 0.5116 -0.1561 -0.0445
1017MeOH O2 3050 3.196 0.090 5.583 -0.6862 0.1334 0.2170
1017MeOH H3 3051 3.183 0.139 5.497 3.1990 -0.4222 -0.8765
1018MeOH Me1 3052 4.343 2.558 7.906 0.2046 -0.3512 0.4223
1018MeOH O2 3053 4.237 2.642 7.978 0.1180 0.0728 -0.1901
1018MeOH H3 3054 4.283 2.719 8.022 0.0493 0.4456 -0.7629
1019MeOH Me1 3055 1.385 1.910 9.454 -0.0719 -0.1879 -0.5328
1019MeOH O2 3056 1.496 1.808 9.425 0.2282 -0.0854 0.2471
1019MeOH H3 3057 1.568 1.820 9.493 0.0487 0.4343 0.3483
1020MeOH Me1 3058 2.308 2.412 0.381 -0.6398 -0.0698 0.3761
1020MeOH O2 3059 2.407 2.455 0.489 -0.5797 0.0261 0.2830
1020MeOH H3 3060 2.477 2.384 0.497 -0.4650 0.1257 0.1723
1021MeOH Me1 3061 1.451 2.467 7.510 0.3728 -0.1962 0.1515
1021MeOH O2 3062 1.456 2.427 7.362 0.0076 0.2019 0.0304
1021MeOH H3 3063 1.532 2.475 7.319 -2.1442 3.1023 -0.8767
1022MeOH Me1 3064 2.347 4.447 1.705 0.0493 -0.2931 0.3347
1022MeOH O2 3065 2.329 4.532 1.831 0.3097 -0.1567 0.2797
1022MeOH H3 3066 2.334 4.472 1.911 -0.2146 -0.1734 0.3039
1023MeOH Me1 3067 2.389 2.256 5.680 0.1295 -0.3343 0.0467
1023MeOH O2 3068 2.406 2.257 5.528 -0.1091 -0.1395 0.0206
1023MeOH H3 3069 2.434 2.349 5.500 -1.5091 0.2879 -0.0608
1024MeOH Me1 3070 4.811 4.126 6.075 0.5204 0.7330 -0.0554
1024MeOH O2 3071 4.670 4.126 6.016 0.4228 0.0925 0.1725
1024MeOH H3 3072 4.651 4.035 5.980 0.6863 -0.0457 0.3847
1025MeOH Me1 3073 1.662 0.703 11.206 0.7391 -0.2806 0.5655
1025MeOH O2 3074 1.627 0.587 11.114 -0.2585 0.3940 0.0777
1025MeOH H3 3075 1.574 0.622 11.037 -0.7819 1.0180 0.7109
1026MeOH Me1 3076 2.345 4.617 2.684 -0.0933 0.4738 0.3522
1026MeOH O2 3077 2.439 4.724 2.628 -0.3490 0.1045 -0.8088
1026MeOH H3 3078 2.423 4.732 2.530 -0.1851 -1.1802 -0.9475
1027MeOH Me1 3079 0.873 -0.023 10.065 0.2009 -0.4567 -0.2219
1027MeOH O2 3080 0.825 0.006 9.923 -0.1390 -0.1616 -0.0476
1027MeOH H3 3081 0.827 0.104 9.908 0.0018 -0.1429 0.0914
1028MeOH Me1 3082 3.427 1.170 5.376 -0.8597 -0.0145 -0.6825
1028MeOH O2 3083 3.342 1.086 5.472 -0.2979 -0.0690 -0.2302
1028MeOH H3 3084 3.251 1.075 5.433 0.3213 -2.5729 -1.1596
1029MeOH Me1 3085 4.439 1.049 29.674 -0.0398 0.1358 0.2179
1029MeOH O2 3086 4.549 1.152 29.700 -0.7010 0.7671 0.5238
1029MeOH H3 3087 4.638 1.109 29.685 -0.3886 1.1229 1.2866
1030MeOH Me1 3088 3.118 3.689 7.006 0.0048 0.0511 0.1490
1030MeOH O2 3089 3.108 3.712 7.157 0.0657 -0.1395 0.1860
1030MeOH H3 3090 3.032 3.774 7.174 -0.3639 -0.7002 0.3486
1031MeOH Me1 3091 1.497 2.498 3.965 -0.4062 -0.4561 -0.1498
1031MeOH O2 3092 1.402 2.403 4.037 -0.0382 -0.2160 0.6719
1031MeOH H3 3093 1.454 2.325 4.070 0.4086 0.6406 2.0553
1032MeOH Me1 3094 0.310 3.953 4.283 0.2496 0.1348 -0.1856
1032MeOH O2 3095 0.350 4.097 4.252 0.1161 0.2581 0.2070
1032MeOH H3 3096 0.292 4.131 4.178 1.8567 -0.5204 -1.6299
1033MeOH Me1 3097 1.714 0.977 10.726 0.3663 0.2655 0.0892
1033MeOH O2 3098 1.592 0.990 10.818 -0.1012 -0.1447 -0.4657
1033MeOH H3 3099 1.618 1.045 10.897 -0.6277 -0.1248 -0.3060
1034MeOH Me1 3100 1.960 0.600 2.974 -0.3263 0.3857 0.1249
1034MeOH O2 3101 2.096 0.564 3.035 -0.4080 -0.0852 0.0388
1034MeOH H3 3102 2.165 0.571 2.963 -0.6553 -1.9541 -0.4212
1035MeOH Me1 3103 0.352 1.687 2.767 -0.2365 -0.1981 -0.4180
1035MeOH O2 3104 0.472 1.593 2.756 0.0464 0.1741 -0.5478
1035MeOH H3 3105 0.448 1.506 2.800 0.2712 0.0081 -0.7526
1036MeOH Me1 3106 3.723 3.475 2.935 -0.2987 0.2731 -0.2236
1036MeOH O2 3107 3.696 3.408 3.071 0.3314 0.0384 -0.2132
1036MeOH H3 3108 3.779 3.359 3.098 -0.2288 -1.8338 -1.7052
1037MeOH Me1 3109 0.254 4.744 3.459 -0.0476 0.3919 -0.1093
1037MeOH O2 3110 0.358 4.809 3.368 0.1598 0.1515 -0.0475
1037MeOH H3 3111 0.409 4.877 3.421 -1.0827 1.4975 -0.5056
1038MeOH Me1 3112 4.106 2.790 8.329 -0.2919 0.5265 -0.1875
1038MeOH O2 3113 4.179 2.915 8.280 0.2984 0.2633 0.0076
1038MeOH H3 3114 4.126 2.995 8.306 -0.1589 0.3989 -1.2795
1039MeOH Me1 3115 3.192 2.908 3.131 -0.3031 0.3690 -0.0957
1039MeOH O2 3116 3.159 2.814 3.015 0.3125 0.2844 -0.2053
1039MeOH H3 3117 3.084 2.754 3.042 0.1086 0.3600 -0.5916
1040MeOH Me1 3118 4.842 0.065 8.330 0.0748 0.3147 0.6824
1040MeOH O2 3119 4.928 0.008 8.217 -0.9528 -0.4141 0.2577
1040MeOH H3 3120 4.979 0.083 8.175 -0.5629 -0.8354 -0.0303
1041MeOH Me1 3121 1.266 1.796 6.069 -1.0239 -0.6631 0.1651
1041MeOH O2 3122 1.303 1.647 6.068 0.6777 -0.2517 -0.0694
1041MeOH H3 3123 1.303 1.615 5.973 1.0994 -0.0977 -0.1250
1042MeOH Me1 3124 3.504 4.734 8.004 -0.4565 0.5753 0.1439
1042MeOH O2 3125 3.542 4.739 8.152 -0.1050 0.3527 0.0613
1042MeOH H3 3126 3.486 4.809 8.197 -1.5013 -1.1150 0.7276
1043MeOH Me1 3127 2.601 4.383 7.585 0.5145 0.0055 -0.1573
1043MeOH O2 3128 2.537 4.356 7.448 0.1750 -0.4683 0.0884
1043MeOH H3 3129 2.443 4.328 7.462 -0.1330 0.6558 0.3755
1044MeOH Me1 3130 4.718 2.874 6.035 -0.2779 -0.1620 -0.6631
1044MeOH O2 3131 4.664 3.016 6.013 0.0568 0.0143 -0.3874
1044MeOH H3 3132 4.690 3.073 6.090 0.7367 -0.0346 -0.5744
1045MeOH Me1 3133 2.974 0.063 5.037 -0.2191 0.2947 0.0127
1045MeOH O2 3134 2.967 0.047 4.885 0.4089 -0.0032 0.0117
1045MeOH H3 3135 2.989 0.134 4.842 -1.5231 0.5118 -0.0148
1046MeOH Me1 3136 1.132 1.595 0.168 -0.0518 -0.0543 -0.6248
1046MeOH O2 3137 1.167 1.697 0.276 0.4972 -0.6135 -0.2712
1046MeOH H3 3138 1.265 1.692 0.294 0.2036 -2.6608 1.1935
1047MeOH Me1 3139 3.105 4.469 2.359 0.0591 0.6635 0.2898
1047MeOH O2 3140 3.106 4.347 2.268 0.0202 0.6839 0.2621
1047MeOH H3 3141 3.085 4.266 2.323 -0.9603 0.7949 0.0667
1048MeOH Me1 3142 3.557 2.142 8.268 0.9102 0.2722 -0.4860
1048MeOH O2 3143 3.592 2.028 8.364 -0.1050 0.5129 0.1789
1048MeOH H3 3144 3.633 1.953 8.312 0.3268 0.3209 0.7744
1049MeOH Me1 3145 1.044 2.409 6.012 -0.4087 -0.4336 -0.1509
1049MeOH O2 3146 1.152 2.447 6.113 -0.1140 -0.0800 -0.5936
1049MeOH H3 3147 1.159 2.375 6.182 -0.5698 0.5856 0.1716
1050MeOH Me1 3148 3.927 0.651 4.988 0.4755 -0.3904 0.1827
1050MeOH O2 3149 3.787 0.681 4.932 0.5382 -0.6440 -0.1131
1050MeOH H3 3150 3.757 0.602 4.878 0.8638 -0.6304 -0.3139
1051MeOH Me1 3151 4.168 1.496 5.583 -0.3430 0.1249 -0.5212
1051MeOH O2 3152 4.293 1.463 5.666 -0.3359 0.4361 -0.4092
1051MeOH H3 3153 4.277 1.378 5.715 0.6216 -0.7750 -2.0846
1052MeOH Me1 3154 4.641 3.436 5.730 -0.2637 -0.0327 -0.9396
1052MeOH O2 3155 4.575 3.308 5.783 0.4200 -0.1283 -0.2939
1052MeOH H3 3156 4.639 3.232 5.772 1.0666 0.2540 0.6590
1053MeOH Me1 3157 1.590 0.303 6.689 0.0136 -0.0629 -0.0724
1053MeOH O2 3158 1.677 0.404 6.614 0.6246 -0.2265 0.3975
1053MeOH H3 3159 1.751 0.354 6.569 0.1849 -0.4946 -0.0354
1054MeOH Me1 3160 2.166 0.432 7.939 -0.1102 -0.1412 -0.0193
1054MeOH O2 3161 2.304 0.481 7.981 0.1696 -0.8534 -0.0988
1054MeOH H3 3162 2.344 0.534 7.905 -0.2840 0.3282 0.4558
1055MeOH Me1 3163 1.399 1.338 4.127 -0.2892 -0.3416 -0.5479
1055MeOH O2 3164 1.288 1.247 4.182 -0.1019 -0.2795 -0.0639
1055MeOH H3 3165 1.277 1.170 4.120 -0.2905 -0.3693 0.0825
1056MeOH Me1 3166 0.632 2.732 8.357 -0.0860 0.0884 -0.1109
1056MeOH O2 3167 0.511 2.826 8.355 -0.6378 -0.5999 0.5638
1056MeOH H3 3168 0.441 2.788 8.416 0.5734 -0.1250 2.3119
1057MeOH Me1 3169 1.658 2.991 6.006 0.4114 -0.0572 0.3360
1057MeOH O2 3170 1.606 3.135 6.002 0.1158 -0.1720 0.0506
1057MeOH H3 3171 1.680 3.196 6.027 -0.4457 -0.0793 1.6024
1058MeOH Me1 3172 2.292 2.952 1.493 -0.3179 0.3694 0.4653
1058MeOH O2 3173 2.269 2.869 1.620 -0.1980 -0.5654 -0.1243
1058MeOH H3 3174 2.358 2.849 1.661 -0.2446 2.1716 1.5592
1059MeOH Me1 3175 1.955 4.761 6.399 0.0411 -0.1852 -0.0406
1059MeOH O2 3176 1.825 4.824 6.350 -0.0917 -0.6321 -0.3117
1059MeOH H3 3177 1.837 4.923 6.345 0.1613 -0.7175 -2.0130
1060MeOH Me1 3178 0.476 2.734 4.749 -0.1820 -0.2531 0.1373
1060MeOH O2 3179 0.619 2.695 4.788 0.0056 -0.1935 -0.4787
1060MeOH H3 3180 0.659 2.642 4.713 0.2934 1.2332 -1.3709
1061MeOH Me1 3181 3.477 4.646 6.946 0.0365 0.0546 -0.5744
1061MeOH O2 3182 3.325 4.655 6.938 -0.0083 -0.2725 -0.0980
1061MeOH H3 3183 3.291 4.580 6.881 0.0506 0.2144 -0.7773
1062MeOH Me1 3184 3.656 1.753 5.957 -0.0160 -0.0464 0.0528
1062MeOH O2 3185 3.774 1.830 5.897 -0.3554 -0.2040 -0.8262
1062MeOH H3 3186 3.753 1.849 5.801 -1.0759 -0.1186 -0.6641
1063MeOH Me1 3187 1.352 4.943 11.060 0.5542 0.2018 0.0360
1063MeOH O2 3188 1.441 4.970 10.938 0.0488 0.7497 -0.2181
1063MeOH H3 3189 1.386 4.956 10.855 0.0530 -0.2046 -0.0758
1064MeOH Me1 3190 3.776 1.242 7.556 0.1780 0.2330 0.2173
1064MeOH O2 3191 3.917 1.227 7.500 0.0768 -0.5817 0.1707
1064MeOH H3 3192 3.919 1.263 7.407 0.4794 0.3094 0.5188
1065MeOH Me1 3193 2.702 2.025 10.432 -0.1267 0.0846 0.0842
1065MeOH O2 3194 2.815 2.124 10.406 -0.3666 0.2802 -0.2161
1065MeOH H3 3195 2.900 2.073 10.393 -0.2632 0.4397 -0.1752
1066MeOH Me1 3196 3.671 3.306 10.545 -0.1042 -0.1274 -0.4360
1066MeOH O2 3197 3.680 3.399 10.424 -0.3765 0.1665 -0.2337
1066MeOH H3 3198 3.774 3.398 10.390 -0.4806 0.1620 -0.5280
1067MeOH Me1 3199 4.723 3.663 30.021 -0.5327 0.4143 -0.2558
1067MeOH O2 3200 4.637 3.581 29.924 -0.1078 0.1005 -0.3670
1067MeOH H3 3201 4.587 3.644 29.864 -0.8688 -0.0529 0.0924
1068MeOH Me1 3202 1.261 2.682 2.518 -0.3920 -0.4977 0.0867
1068MeOH O2 3203 1.213 2.694 2.373 -0.3027 -0.0278 0.0929
1068MeOH H3 3204 1.148 2.620 2.356 -0.2615 0.0058 -0.2016
1069MeOH Me1 3205 4.842 2.852 9.013 0.4421 -0.5900 -0.1422
1069MeOH O2 3206 4.825 2.867 9.164 0.4038 -0.5494 -0.1501
1069MeOH H3 3207 4.783 2.956 9.183 1.9766 0.2256 -0.0824
1070MeOH Me1 3208 2.651 3.748 0.555 -0.3485 -0.4751 -0.3042
1070MeOH O2 3209 2.613 3.698 0.694 -0.5941 0.0374 -0.1842
1070MeOH H3 3210 2.516 3.718 0.709 -1.0227 -1.2778 -1.0448
1071MeOH Me1 3211 1.356 0.730 10.096 -0.1103 0.5521 0.3514
1071MeOH O2 3212 1.291 0.858 10.043 0.0422 0.4118 -0.1419
1071MeOH H3 3213 1.338 0.885 9.959 1.7801 1.4646 1.0871
1072MeOH Me1 3214 4.244 0.694 5.577 0.2260 -0.5566 0.4141
1072MeOH O2 3215 4.176 0.563 5.617 0.1460 -0.4664 0.5770
1072MeOH H3 3216 4.079 0.568 5.591 0.8484 -1.8208 -2.8368
1073MeOH Me1 3217 3.280 3.645 3.794 0.8284 0.7496 0.1841
1073MeOH O2 3218 3.271 3.768 3.884 -0.3383 0.8780 -0.0819
1073MeOH H3 3219 3.210 3.835 3.841 -0.4486 0.4784 -0.5542
1074MeOH Me1 3220 1.395 3.619 0.760 0.2762 -0.4591 0.1436
1074MeOH O2 3221 1.533 3.601 0.697 -0.0266 -0.1927 -0.6134
1074MeOH H3 3222 1.544 3.668 0.624 -0.8458 -0.6685 -1.1904
1075MeOH Me1 3223 1.669 3.856 6.570 0.4458 0.4137 -0.0139
1075MeOH O2 3224 1.591 3.901 6.446 0.9028 0.1967 -0.3845
1075MeOH H3 3225 1.559 3.995 6.461 1.9373 0.6956 -1.1925
1076MeOH Me1 3226 2.632 3.844 9.771 -0.3718 0.0941 -0.2628
1076MeOH O2 3227 2.684 3.700 9.777 0.3571 0.3448 -0.4379
1076MeOH H3 3228 2.606 3.638 9.772 0.7279 -0.0630 -1.2490
1077MeOH Me1 3229 0.292 4.957 10.393 -0.5703 0.3006 0.2785
1077MeOH O2 3230 0.352 4.996 10.258 0.0168 0.2668 0.5270
1077MeOH H3 3231 0.330 4.925 10.191 -3.1318 2.0183 -0.5357
1078MeOH Me1 3232 2.921 0.642 1.384 0.3451 0.4891 0.4555
1078MeOH O2 3233 2.954 0.506 1.446 0.0877 0.4982 0.6136
1078MeOH H3 3234 2.881 0.481 1.509 0.7968 1.4479 1.8593
1079MeOH Me1 3235 2.020 2.675 6.887 -0.4886 0.0741 0.3073
1079MeOH O2 3236 2.065 2.545 6.820 -0.1035 0.1581 0.4050
1079MeOH H3 3237 1.997 2.474 6.840 0.3066 -0.1272 0.8152
1080MeOH Me1 3238 0.376 1.224 9.238 0.4289 -0.0149 0.3815
1080MeOH O2 3239 0.295 1.133 9.331 -0.0216 0.0551 0.0558
1080MeOH H3 3240 0.296 1.172 9.423 0.8940 -0.7145 0.3887
1081MeOH Me1 3241 4.247 0.899 2.504 0.3334 0.4851 0.4115
1081MeOH O2 3242 4.153 1.016 2.534 -0.2201 0.1441 0.0304
1081MeOH H3 3243 4.104 0.996 2.619 -1.2832 -0.5130 -0.7070
1082MeOH Me1 3244 0.820 2.334 6.396 0.0593 0.2242 0.1458
1082MeOH O2 3245 0.748 2.459 6.342 0.2401 0.1526 -0.2678
1082MeOH H3 3246 0.679 2.487 6.409 -1.3707 -0.9247 -1.4057
1083MeOH Me1 3247 1.121 1.191 2.703 -0.2233 -0.4275 0.0914
1083MeOH O2 3248 1.002 1.096 2.713 -0.3228 -0.3497 -0.3096
1083MeOH H3 3249 1.029 1.017 2.769 -0.4606 -0.5251 -0.4877
1084MeOH Me1 3250 0.283 2.041 3.851 0.2827 -0.4208 -0.2163
1084MeOH O2 3251 0.429 2.068 3.814 0.2043 0.1568 -0.1458
1084MeOH H3 3252 0.435 2.157 3.769 0.0512 0.7411 0.9667
1085MeOH Me1 3253 3.202 0.208 10.983 0.2351 0.0943 0.0261
1085MeOH O2 3254 3.305 0.225 10.871 0.2569 -0.0418 0.0275
1085MeOH H3 3255 3.257 0.242 10.786 0.1897 -1.8261 -0.3356
1086MeOH Me1 3256 0.649 3.416 10.390 0.4882 -0.4463 -0.2967
1086MeOH O2 3257 0.550 3.313 10.335 -0.4979 0.5293 -0.3941
1086MeOH H3 3258 0.602 3.234 10.301 -1.3027 -1.5053 2.6740
1087MeOH Me1 3259 4.741 0.820 7.841 -0.0582 0.2032 0.4796
1087MeOH O2 3260 4.592 0.847 7.865 -0.2427 0.4001 -0.7747
1087MeOH H3 3261 4.545 0.759 7.875 -0.4196 0.4653 -1.0233
1088MeOH Me1 3262 4.159 3.641 2.542 0.6552 0.1703 -0.0239
1088MeOH O2 3263 4.081 3.739 2.454 0.3130 -0.5714 -0.5549
1088MeOH H3 3264 4.081 3.704 2.360 0.5042 -1.0343 -0.3873
1089MeOH Me1 3265 1.562 1.026 9.795 0.1057 -0.3837 0.2006
1089MeOH O2 3266 1.421 1.012 9.853 0.2679 -0.1960 0.6438
1089MeOH H3 3267 1.378 1.103 9.855 0.3539 -0.1567 0.6714
1090MeOH Me1 3268 2.407 3.806 4.805 0.2275 0.7405 0.3966
1090MeOH O2 3269 2.448 3.731 4.931 0.3268 0.0721 -0.0301
1090MeOH H3 3270 2.533 3.772 4.966 0.0452 0.2599 0.4369
1091MeOH Me1 3271 0.831 4.796 2.700 -0.6670 -0.1417 0.3971
1091MeOH O2 3272 0.738 4.873 2.605 0.1574 0.0558 -0.2633
1091MeOH H3 3273 0.643 4.850 2.628 -0.0583 -2.0642 -2.8166
1092MeOH Me1 3274 1.356 3.695 4.854 0.1592 -0.0943 -0.0942
1092MeOH O2 3275 1.377 3.767 4.987 0.1078 -0.4324 0.0902
1092MeOH H3 3276 1.312 3.843 4.994 0.6442 0.0619 -0.1064
1093MeOH Me1 3277 4.609 3.452 4.676 -0.1818 -0.3270 -0.0731
1093MeOH O2 3278 4.603 3.587 4.747 0.3619 -0.2940 -0.0870
1093MeOH H3 3279 4.669 3.649 4.704 -0.6833 0.0144 -1.2981
1094MeOH Me1 3280 2.930 1.221 7.208 0.5057 0.2985 0.0016
1094MeOH O2 3281 2.970 1.114 7.310 -0.6535 -0.2008 -0.0430
1094MeOH H3 3282 3.030 1.048 7.265 -0.9200 -0.5238 0.0713
1095MeOH Me1 3283 4.857 0.131 10.023 -0.3809 -0.2870 0.3610
1095MeOH O2 3284 4.768 0.015 10.069 0.1127 -0.5166 0.7573
1095MeOH H3 3285 4.679 0.053 10.096 0.6798 -0.5364 2.7702
1096MeOH Me1 3286 2.739 0.958 9.587 -0.0943 -0.4028 -0.3232
1096MeOH O2 3287 2.597 0.907 9.611 -0.1139 -0.2351 -0.0623
1096MeOH H3 3288 2.534 0.985 9.607 -0.2877 -0.4256 -2.0533
1097MeOH Me1 3289 3.838 0.568 6.606 -0.2294 0.3148 -0.3608
1097MeOH O2 3290 3.980 0.601 6.562 0.1289 -0.0024 0.5403
1097MeOH H3 3291 4.014 0.525 6.507 0.7575 -0.6244 1.7384
1098MeOH Me1 3292 3.771 0.665 9.372 -0.0399 0.3418 0.3466
1098MeOH O2 3293 3.684 0.790 9.353 -0.1901 0.1367 -0.3481
1098MeOH H3 3294 3.588 0.763 9.358 -0.1555 0.0985 0.1485
1099MeOH Me1 3295 2.180 0.364 5.635 -0.1067 0.6439 0.2525
1099MeOH O2 3296 2.305 0.365 5.547 -0.2891 0.2824 -0.0154
1099MeOH H3 3297 2.386 0.370 5.606 -0.0781 -1.3077 -0.1269
1100MeOH Me1 3298 2.585 0.638 8.962 0.6755 -0.0695 0.0749
1100MeOH O2 3299 2.632 0.665 8.819 1.0708 -0.2689 0.1675
1100MeOH H3 3300 2.563 0.629 8.755 0.8510 0.3460 0.0473
1101MeOH Me1 3301 3.755 2.143 3.718 0.3239 0.1189 -0.2202
1101MeOH O2 3302 3.746 2.000 3.664 0.5810 -0.3326 0.9054
1101MeOH H3 3303 3.758 1.937 3.740 0.1623 0.2888 1.5050
1102MeOH Me1 3304 3.993 0.258 4.267 -0.4119 -0.0154 0.3665
1102MeOH O2 3305 3.993 0.116 4.324 0.1013 -0.2183 -0.1394
1102MeOH H3 3306 4.086 0.079 4.315 0.0595 -0.1521 -1.0035
1103MeOH Me1 3307 4.004 0.929 4.677 -0.2199 0.0623 0.5049
1103MeOH O2 3308 4.015 1.082 4.678 -0.1539 0.0612 0.1298
1103MeOH H3 3309 4.093 1.108 4.736 -0.0792 0.1657 -0.0156
1104MeOH Me1 3310 1.664 3.946 2.757 0.6688 0.2865 0.6219
1104MeOH O2 3311 1.631 4.089 2.801 -0.1718 0.4121 -0.3713
1104MeOH H3 3312 1.616 4.089 2.900 -0.8419 0.9005 -0.4606
1105MeOH Me1 3313 1.111 2.538 8.707 0.6655 0.1717 -0.3871
1105MeOH O2 3314 1.084 2.431 8.601 0.0434 0.1869 -0.2491
1105MeOH H3 3315 1.156 2.436 8.532 0.1723 -0.4471 -0.1584
1106MeOH Me1 3316 3.525 1.023 2.113 -0.1420 0.2231 -0.3669
1106MeOH O2 3317 3.674 1.022 2.079 -0.0493 -0.3410 0.0900
1106MeOH H3 3318 3.687 1.061 1.988 0.4553 0.3508 0.4423
1107MeOH Me1 3319 4.514 1.121 30.005 0.6087 -0.1688 0.4077
1107MeOH O2 3320 4.634 1.211 29.973 -0.2254 0.8528 0.0483
1107MeOH H3 3321 4.624 1.245 29.880 -0.6487 0.5258 -0.0298
1108MeOH Me1 3322 4.016 2.462 0.962 -0.2888 0.2523 -0.9067
1108MeOH O2 3323 3.975 2.335 1.037 0.1663 0.7403 0.1987
1108MeOH H3 3324 3.879 2.315 1.015 -0.8772 2.1183 3.0897
1109MeOH Me1 3325 1.889 4.756 7.498 0.0627 0.5427 -0.5778
1109MeOH O2 3326 1.999 4.860 7.521 0.1172 0.4998 -0.6458
1109MeOH H3 3327 2.087 4.813 7.522 0.0132 0.3046 0.4449
1110MeOH Me1 3328 1.910 2.510 0.995 0.5612 -0.2531 0.4563
1110MeOH O2 3329 2.052 2.554 1.033 0.5098 0.2056 0.1197
1110MeOH H3 3330 2.083 2.497 1.109 0.9206 0.2264 -0.0338
1111MeOH Me1 3331 1.339 3.835 1.388 0.0059 -0.1865 0.1614
1111MeOH O2 3332 1.346 3.961 1.475 0.0284 0.5243 -0.8442
1111MeOH H3 3333 1.386 4.035 1.421 0.6767 -0.0986 -1.2354
1112MeOH Me1 3334 4.301 3.647 8.544 0.4495 -0.1315 -0.3211
1112MeOH O2 3335 4.336 3.734 8.423 -0.0905 0.4925 -0.0329
1112MeOH H3 3336 4.429 3.771 8.436 0.3370 -0.3295 -0.6825
1113MeOH Me1 3337 2.480 4.652 8.711 -0.1461 0.2910 0.1342
1113MeOH O2 3338 2.587 4.761 8.708 -0.2984 0.4310 -0.2903
1113MeOH H3 3339 2.542 4.850 8.706 -0.4249 0.3758 -0.0175
1114MeOH Me1 3340 3.731 1.578 1.417 -0.3767 -0.2890 -0.5041
1114MeOH O2 3341 3.602 1.502 1.385 -0.5833 -0.1117 -0.0928
1114MeOH H3 3342 3.558 1.544 1.306 -0.6716 -0.1755 -0.0786
1115MeOH Me1 3343 0.174 2.267 6.458 -0.0130 -0.2563 -0.3525
1115MeOH O2 3344 0.218 2.186 6.336 0.3239 -0.0842 -0.3452
1115MeOH H3 3345 0.272 2.108 6.368 0.7332 0.1956 -0.3448
1116MeOH Me1 3346 0.145 3.184 0.667 0.3437 0.8775 0.3301
1116MeOH O2 3347 0.261 3.112 0.737 0.0129 -0.2874 -0.2930
1116MeOH H3 3348 0.226 3.067 0.819 0.1518 0.8716 0.4276
1117MeOH Me1 3349 2.630 0.524 10.079 -0.0723 0.2412 0.1144
1117MeOH O2 3350 2.673 0.378 10.098 0.0160 0.2056 -0.3598
1117MeOH H3 3351 2.750 0.376 10.162 2.1625 0.3584 -2.7575
1118MeOH Me1 3352 0.328 1.697 1.103 -0.0995 -0.4545 -0.0190
1118MeOH O2 3353 0.364 1.830 1.036 0.4165 -0.4015 0.3568
1118MeOH H3 3354 0.387 1.896 1.107 0.2097 -0.5567 0.5714
1119MeOH Me1 3355 0.094 3.016 6.427 -0.1706 -0.2496 0.2954
1119MeOH O2 3356 0.101 3.152 6.358 0.1375 -0.1697 0.4790
1119MeOH H3 3357 0.074 3.223 6.423 0.7292 -0.1480 0.7045
1120MeOH Me1 3358 0.236 3.048 29.894 -0.5271 -0.3301 -0.4395
1120MeOH O2 3359 0.120 3.131 29.948 -0.0109 0.1703 -0.0933
1120MeOH H3 3360 0.138 3.228 29.929 0.0956 0.0442 -0.6591
1121MeOH Me1 3361 0.501 0.401 2.164 -0.0132 -0.7340 0.2807
1121MeOH O2 3362 0.620 0.489 2.125 -0.7112 -0.1218 -0.4503
1121MeOH H3 3363 0.640 0.474 2.028 0.0490 -1.5671 -0.0962
1122MeOH Me1 3364 2.048 1.554 7.355 -0.1069 -0.3901 0.2883
1122MeOH O2 3365 2.134 1.672 7.308 -0.4411 -0.3346 -0.1799
1122MeOH H3 3366 2.075 1.752 7.298 -0.5454 -0.3670 0.1625
1123MeOH Me1 3367 1.818 0.236 10.648 -0.6558 0.5555 0.2640
1123MeOH O2 3368 1.782 0.262 10.502 -0.5828 -0.4296 0.0609
1123MeOH H3 3369 1.865 0.284 10.451 -0.6066 -0.3867 0.0401
1124MeOH Me1 3370 2.636 0.090 5.132 -0.1499 0.0774 -0.2396
1124MeOH O2 3371 2.636 0.208 5.034 -0.0595 0.2597 -0.0205
1124MeOH H3 3372 2.574 0.187 4.959 1.2115 -0.3112 -0.9605
1125MeOH Me1 3373 3.521 2.069 2.081 0.2342 0.0704 0.1250
1125MeOH O2 3374 3.564 2.149 1.958 -0.0548 -0.2657 -0.1905
1125MeOH H3 3375 3.608 2.234 1.989 1.1373 -0.7464 -0.4947
1126MeOH Me1 3376 1.224 0.331 6.767 0.4958 0.1242 0.0224
1126MeOH O2 3377 1.154 0.196 6.784 0.0102 0.3501 -0.0327
1126MeOH H3 3378 1.223 0.128 6.808 -0.1707 0.0151 -0.4804
1127MeOH Me1 3379 2.553 0.484 5.253 0.0945 0.3546 0.1976
1127MeOH O2 3380 2.600 0.472 5.107 -0.1785 -0.5664 0.1817
1127MeOH H3 3381 2.612 0.375 5.086 0.5436 -0.6793 1.0210
1128MeOH Me1 3382 2.638 1.998 9.726 0.4411 -0.1046 -0.0840
1128MeOH O2 3383 2.527 1.915 9.792 0.4517 -0.3109 -0.3312
1128MeOH H3 3384 2.440 1.961 9.777 0.1315 -1.4245 -2.1924
1129MeOH Me1 3385 3.084 2.171 0.482 -0.5679 -0.5921 -0.5215
1129MeOH O2 3386 3.121 2.228 0.345 0.5182 -0.3063 -0.1210
1129MeOH H3 3387 3.079 2.170 0.274 1.1777 -0.2480 -0.5696
1130MeOH Me1 3388 4.509 4.545 7.281 -0.8201 -0.0414 0.3717
1130MeOH O2 3389 4.519 4.534 7.433 0.3308 0.0732 0.3091
1130MeOH H3 3390 4.614 4.513 7.457 0.3852 -0.5291 -0.4258
1131MeOH Me1 3391 1.319 2.184 29.647 -0.4899 0.2592 -0.0240
1131MeOH O2 3392 1.339 2.101 29.774 0.2521 -0.1896 -0.4268
1131MeOH H3 3393 1.249 2.072 29.808 0.3594 0.6512 0.6227
1132MeOH Me1 3394 2.895 1.177 8.988 -0.0602 -0.2505 -0.6651
1132MeOH O2 3395 2.987 1.085 9.070 -0.3478 0.1975 0.1712
1132MeOH H3 3396 3.080 1.122 9.067 -0.4480 0.5206 0.8229
1133MeOH Me1 3397 2.030 0.433 6.180 -0.2960 -0.2585 -0.0914
1133MeOH O2 3398 2.017 0.505 6.046 -0.2128 0.1506 0.1203
1133MeOH H3 3399 1.965 0.447 5.984 0.8634 -0.1842 -0.4762
1134MeOH Me1 3400 0.740 3.731 1.424 0.4263 0.2109 -0.5637
1134MeOH O2 3401 0.773 3.590 1.374 -0.4063 -0.0448 -0.3669
1134MeOH H3 3402 0.853 3.596 1.315 -1.0878 -0.4343 -1.3553
1135MeOH Me1 3403 3.890 1.187 6.296 0.8720 0.1910 0.8149
1135MeOH O2 3404 3.910 1.315 6.214 0.6020 -0.0761 0.3255
1135MeOH H3 3405 3.999 1.310 6.169 0.1190 -0.5807 -0.6094
1136MeOH Me1 3406 3.604 4.797 10.107 0.0913 0.4365 -0.2090
1136MeOH O2 3407 3.741 4.729 10.100 0.2111 0.6253 0.3288
1136MeOH H3 3408 3.808 4.797 10.070 -0.0221 0.3527 -0.8549
1137MeOH Me1 3409 4.234 1.124 3.844 -0.4439 0.5665 0.3822
1137MeOH O2 3410 4.131 1.060 3.938 -0.3458 0.1306 0.1987
1137MeOH H3 3411 4.042 1.100 3.918 -0.3852 0.1457 0.4017
1138MeOH Me1 3412 0.420 4.030 0.721 -0.5956 0.0714 0.0932
1138MeOH O2 3413 0.430 4.165 0.650 -0.0563 -0.2901 -0.5297
1138MeOH H3 3414 0.527 4.188 0.638 0.1259 0.8480 2.4295
1139MeOH Me1 3415 0.024 0.167 9.715 0.5770 -0.3089 0.5546
1139MeOH O2 3416 0.148 0.255 9.734 0.5013 -0.0451 -0.1331
1139MeOH H3 3417 0.169 0.299 9.647 -1.4914 1.8943 0.2577
1140MeOH Me1 3418 0.605 4.385 1.437 -0.3203 -0.5081 -0.2744
1140MeOH O2 3419 0.727 4.293 1.439 0.2129 0.2011 -0.0926
1140MeOH H3 3420 0.710 4.219 1.504 0.9988 0.7056 0.7183
1141MeOH Me1 3421 1.300 3.632 6.417 0.4681 0.0258 0.0698
1141MeOH O2 3422 1.304 3.782 6.387 0.4238 0.1147 0.4824
1141MeOH H3 3423 1.379 3.823 6.439 0.0535 0.0807 1.0505
1142MeOH Me1 3424 0.076 2.722 4.483 -0.2065 -0.1405 0.4204
1142MeOH O2 3425 -0.023 2.834 4.454 0.1604 -0.1188 -0.8024
1142MeOH H3 3426 0.007 2.917 4.501 -2.3078 -1.0389 2.8448
1143MeOH Me1 3427 2.095 1.292 4.130 -0.5614 0.1559 -0.2556
1143MeOH O2 3428 2.211 1.382 4.085 -0.3005 0.2889 0.6664
1143MeOH H3 3429 2.178 1.443 4.013 0.7320 -1.2793 -1.2408
1144MeOH Me1 3430 0.446 2.938 8.043 0.1396 1.1176 -0.3086
1144MeOH O2 3431 0.445 3.015 8.175 -0.2534 0.5078 0.0538
1144MeOH H3 3432 0.475 2.954 8.248 -0.9741 0.0225 -0.0485
1145MeOH Me1 3433 1.190 3.429 8.020 -0.3516 0.0304 -0.0269
1145MeOH O2 3434 1.125 3.557 8.073 -0.4336 0.1777 -0.4764
1145MeOH H3 3435 1.031 3.536 8.101 -0.3473 0.1670 -0.1967
1146MeOH Me1 3436 1.001 2.797 4.541 0.0254 -0.1470 -0.5654
1146MeOH O2 3437 1.149 2.762 4.533 0.1948 0.2912 0.4922
1146MeOH H3 3438 1.160 2.664 4.547 0.4464 0.4139 1.1794
1147MeOH Me1 3439 1.772 4.819 8.807 -0.1285 -0.1833 -0.1917
1147MeOH O2 3440 1.911 4.854 8.755 -0.0590 0.0029 0.1192
1147MeOH H3 3441 1.973 4.862 8.833 0.0245 -1.1025 0.1837
1148MeOH Me1 3442 0.706 3.364 8.068 -0.1188 0.5303 -0.5965
1148MeOH O2 3443 0.842 3.406 8.012 0.1583 -0.0961 -0.3995
1148MeOH H3 3444 0.870 3.340 7.943 0.0624 -0.3743 -0.1733
1149MeOH Me1 3445 1.638 3.597 2.796 -0.1080 -0.0088 0.0319
1149MeOH O2 3446 1.777 3.545 2.837 0.1272 0.3221 -0.3358
1149MeOH H3 3447 1.846 3.606 2.800 -0.0517 -0.2492 -1.6719
1150MeOH Me1 3448 2.641 1.926 7.515 -0.1468 0.3934 -0.1640
1150MeOH O2 3449 2.792 1.901 7.506 -0.1264 0.2369 0.4885
1150MeOH H3 3450 2.814 1.878 7.411 0.2907 0.4321 0.5369
1151MeOH Me1 3451 2.509 1.369 5.174 -0.8537 -0.1344 0.6658
1151MeOH O2 3452 2.533 1.426 5.314 -0.0930 -0.2145 0.5752
1151MeOH H3 3453 2.549 1.350 5.377 -0.7357 -0.3117 0.6266
1152MeOH Me1 3454 4.633 3.219 9.162 -0.4271 0.0796 0.5262
1152MeOH O2 3455 4.691 3.093 9.227 0.0313 -0.2443 -0.4988
1152MeOH H3 3456 4.628 3.061 9.297 0.8273 -0.2329 0.2357
1153MeOH Me1 3457 2.621 2.934 10.121 0.2021 -0.3935 -0.1665
1153MeOH O2 3458 2.762 2.977 10.079 0.1371 0.1273 0.1449
1153MeOH H3 3459 2.771 3.075 10.097 -0.4683 0.2881 -0.3720
1154MeOH Me1 3460 0.163 4.414 29.700 0.5899 0.2151 -0.3449
1154MeOH O2 3461 0.259 4.334 29.789 -0.3138 -0.5735 -0.0635
1154MeOH H3 3462 0.317 4.278 29.730 -0.9830 -1.4883 0.1385
1155MeOH Me1 3463 2.060 0.495 5.276 -0.0634 0.4244 0.6055
1155MeOH O2 3464 1.914 0.449 5.277 -0.0088 0.1893 -0.3696
1155MeOH H3 3465 1.856 0.530 5.281 -0.1359 0.0611 0.5349
1156MeOH Me1 3466 0.566 2.339 9.156 -0.6626 0.0346 0.4312
1156MeOH O2 3467 0.526 2.417 9.281 -0.1464 0.9801 0.0200
1156MeOH H3 3468 0.588 2.391 9.355 -0.5629 0.6519 0.2608
1157MeOH Me1 3469 1.964 0.738 8.610 0.7401 -0.2494 -0.1527
1157MeOH O2 3470 2.016 0.819 8.491 0.5549 0.1366 0.0241
1157MeOH H3 3471 1.952 0.893 8.472 -1.4653 -1.9177 -1.9198
1158MeOH Me1 3472 0.997 0.393 1.933 -0.3550 0.6651 0.2057
1158MeOH O2 3473 1.110 0.365 1.834 0.0849 0.2876 0.8151
1158MeOH H3 3474 1.074 0.371 1.741 0.1276 -1.6509 0.6309
1159MeOH Me1 3475 2.274 1.849 8.769 -0.4311 -0.2661 0.0748
1159MeOH O2 3476 2.318 1.787 8.636 -0.3340 -0.2889 0.1167
1159MeOH H3 3477 2.336 1.690 8.650 -0.3796 -0.2944 0.1390
1160MeOH Me1 3478 2.095 2.894 3.059 -0.2541 -0.4030 0.2448
1160MeOH O2 3479 2.129 2.838 3.197 0.1299 0.0395 0.3427
1160MeOH H3 3480 2.155 2.914 3.257 -1.2748 0.4424 0.4762
1161MeOH Me1 3481 3.104 0.503 10.034 -0.0571 -1.0063 -0.2520
1161MeOH O2 3482 3.140 0.562 9.898 -0.1914 0.6030 0.3890
1161MeOH H3 3483 3.194 0.645 9.914 1.5064 -0.6130 1.3359
1162MeOH Me1 3484 4.621 1.189 0.563 0.5005 -0.4066 0.2439
1162MeOH O2 3485 4.588 1.127 0.427 -0.0038 -0.2008 0.2737
1162MeOH H3 3486 4.661 1.064 0.401 0.4247 0.6204 -0.5782
1163MeOH Me1 3487 3.132 2.760 8.184 -0.7919 0.1985 -0.2967
1163MeOH O2 3488 3.078 2.790 8.044 -0.1796 0.0352 -0.5670
1163MeOH H3 3489 2.979 2.797 8.049 -0.2057 0.0099 -1.0170
1164MeOH Me1 3490 1.259 0.345 9.449 -0.2286 -0.4989 0.1386
1164MeOH O2 3491 1.155 0.453 9.482 0.0450 -0.3183 0.4096
1164MeOH H3 3492 1.105 0.475 9.399 1.1995 1.2012 0.0832
1165MeOH Me1 3493 3.432 2.671 9.208 -0.0632 0.8391 -0.4207
1165MeOH O2 3494 3.369 2.605 9.085 0.3094 -0.4698 0.0694
1165MeOH H3 3495 3.296 2.544 9.115 -1.6302 1.8581 0.4330
1166MeOH Me1 3496 2.506 2.889 10.497 0.2899 0.3151 0.6036
1166MeOH O2 3497 2.458 2.796 10.385 0.3091 0.2288 0.6677
1166MeOH H3 3498 2.369 2.828 10.353 0.3462 0.2443 0.5793
1167MeOH Me1 3499 0.190 0.797 3.750 -0.3275 0.4910 -0.2957
1167MeOH O2 3500 0.245 0.682 3.834 0.3974 0.5736 -0.6496
1167MeOH H3 3501 0.193 0.677 3.919 0.8079 0.3496 -0.4083
1168MeOH Me1 3502 1.688 3.625 5.078 -0.4833 -0.3023 -0.2131
1168MeOH O2 3503 1.656 3.766 5.027 -0.2767 -0.2374 -0.1640
1168MeOH H3 3504 1.559 3.769 5.003 -0.5466 0.2340 0.9169
1169MeOH Me1 3505 3.838 1.117 1.779 -0.0782 -0.0442 0.7156
1169MeOH O2 3506 3.698 1.056 1.784 0.0969 -0.5690 -0.4599
1169MeOH H3 3507 3.649 1.083 1.701 0.7226 -0.8548 -0.9364
1170MeOH Me1 3508 2.641 1.562 5.579 -0.0201 0.0689 0.2466
1170MeOH O2 3509 2.552 1.578 5.702 -0.2442 -0.4937 0.1713
1170MeOH H3 3510 2.459 1.548 5.679 -0.2785 -0.0909 -0.2392
1171MeOH Me1 3511 5.057 4.675 8.658 0.0411 0.0453 0.6559
1171MeOH O2 3512 4.943 4.599 8.590 0.3703 0.3111 -0.1931
1171MeOH H3 3513 4.856 4.634 8.624 0.2069 -0.3165 0.0421
1172MeOH Me1 3514 1.340 4.962 1.665 -0.4215 -0.0688 0.4196
1172MeOH O2 3515 1.461 4.911 1.587 -0.6178 0.2239 -0.0882
1172MeOH H3 3516 1.529 4.984 1.582 -0.3100 0.0062 0.6924
1173MeOH Me1 3517 4.524 4.990 2.857 -0.2851 0.0157 0.5911
1173MeOH O2 3518 4.436 4.892 2.779 -0.2413 0.6410 -0.2689
1173MeOH H3 3519 4.416 4.931 2.689 -0.4072 1.4904 0.1300
1174MeOH Me1 3520 4.294 2.795 29.511 -0.0105 -0.1874 0.0849
1174MeOH O2 3521 4.421 2.738 29.447 0.0425 0.2125 -0.1677
1174MeOH H3 3522 4.500 2.788 29.483 0.0072 0.0429 0.1494
1175MeOH Me1 3523 4.253 1.142 5.746 0.0876 -0.2301 0.0419
1175MeOH O2 3524 4.177 1.249 5.825 -0.1746 -0.7004 0.4364
1175MeOH H3 3525 4.082 1.249 5.795 -0.1071 -0.6191 0.2152
1176MeOH Me1 3526 2.307 4.834 1.031 0.0488 -0.2047 -0.6795
1176MeOH O2 3527 2.154 4.829 1.030 0.0507 -0.4382 -0.2449
1176MeOH H3 3528 2.125 4.769 0.955 -0.0558 -1.2340 0.4244
1177MeOH Me1 3529 1.341 0.670 7.449 -0.1420 -0.4833 1.1423
1177MeOH O2 3530 1.224 0.694 7.545 -0.9332 -0.2507 0.1454
1177MeOH H3 3531 1.139 0.691 7.493 -0.5343 -0.6431 -0.4985
1178MeOH Me1 3532 2.829 2.352 5.191 -0.2267 0.8000 0.4424
1178MeOH O2 3533 2.832 2.423 5.056 0.1319 0.1545 0.1037
1178MeOH H3 3534 2.846 2.355 4.984 -1.6206 -0.4459 0.2872
1179MeOH Me1 3535 0.347 2.371 0.570 0.0847 -0.3008 0.2025
1179MeOH O2 3536 0.212 2.320 0.623 -0.1788 0.1596 -0.0238
1179MeOH H3 3537 0.182 2.245 0.564 0.9309 -1.5031 1.4277
1180MeOH Me1 3538 1.030 4.668 10.287 -0.1106 0.3495 -0.0794
1180MeOH O2 3539 0.883 4.663 10.332 0.0208 0.5109 0.3687
1180MeOH H3 3540 0.880 4.682 10.430 0.3164 0.7780 0.3288
1181MeOH Me1 3541 0.625 1.682 5.164 -0.2078 1.0561 -0.0808
1181MeOH O2 3542 0.734 1.638 5.066 -0.4854 0.3064 -0.0528
1181MeOH H3 3543 0.705 1.663 4.974 0.0421 1.1736 0.0134
1182MeOH Me1 3544 1.669 3.542 1.477 0.3275 0.3677 0.0193
1182MeOH O2 3545 1.669 3.607 1.339 -0.2554 0.4547 0.0583
1182MeOH H3 3546 1.650 3.537 1.271 0.5757 0.2741 -0.0020
1183MeOH Me1 3547 3.469 3.824 1.193 0.0055 -0.4161 0.1223
1183MeOH O2 3548 3.447 3.957 1.120 0.0822 -0.2405 0.4147
1183MeOH H3 3549 3.437 3.938 1.022 -0.1333 -0.0401 0.3970
1184MeOH Me1 3550 5.000 3.743 6.882 0.3345 -0.4317 -0.0549
1184MeOH O2 3551 4.896 3.835 6.816 -0.0537 -0.8259 0.0033
1184MeOH H3 3552 4.807 3.816 6.858 -0.4298 -2.7854 -1.5028
1185MeOH Me1 3553 0.155 2.845 3.557 -0.0913 -0.0514 -0.0142
1185MeOH O2 3554 0.069 2.722 3.585 -0.4971 0.1977 -0.1586
1185MeOH H3 3555 0.032 2.688 3.499 -0.9929 0.6967 -0.1474
1186MeOH Me1 3556 3.737 0.732 3.039 0.3893 0.2374 0.4758
1186MeOH O2 3557 3.678 0.865 3.085 -0.2967 0.1812 -0.2426
1186MeOH H3 3558 3.597 0.846 3.141 0.2018 0.0456 0.4336
1187MeOH Me1 3559 2.552 0.926 9.979 0.0442 0.3600 -0.8760
1187MeOH O2 3560 2.477 0.817 9.902 -0.5165 -0.4009 0.6860
1187MeOH H3 3561 2.510 0.817 9.807 -1.2819 -1.2112 0.4042
1188MeOH Me1 3562 4.445 3.251 10.761 0.0356 0.0121 0.2987
1188MeOH O2 3563 4.359 3.130 10.800 0.0733 -0.0747 0.1129
1188MeOH H3 3564 4.417 3.064 10.847 -0.4668 1.1052 2.5757
1189MeOH Me1 3565 2.800 4.283 8.821 0.5285 0.5508 0.1620
1189MeOH O2 3566 2.786 4.249 8.673 0.0466 0.1178 0.3040
1189MeOH H3 3567 2.800 4.151 8.661 1.0838 0.2375 0.4276
1190MeOH Me1 3568 2.034 2.165 -0.006 -0.1867 0.0760 -0.2790
1190MeOH O2 3569 2.021 2.096 0.130 -0.1734 0.0085 -0.3119
1190MeOH H3 3570 1.975 2.159 0.193 1.0824 0.5066 0.1205
1191MeOH Me1 3571 1.155 3.934 5.503 0.3349 0.4514 -0.0632
1191MeOH O2 3572 1.259 4.047 5.500 0.6750 0.1381 -0.5900
1191MeOH H3 3573 1.236 4.113 5.572 0.2745 1.0580 -1.5396
1192MeOH Me1 3574 3.419 3.508 6.474 -0.2865 0.5891 0.6533
1192MeOH O2 3575 3.516 3.519 6.592 0.4208 0.1639 0.1178
1192MeOH H3 3576 3.463 3.521 6.677 0.8453 1.3706 0.3632
1193MeOH Me1 3577 2.070 2.075 8.550 -0.4080 -0.6705 -0.0204
1193MeOH O2 3578 1.939 2.151 8.570 -0.0057 0.1503 -0.4660
1193MeOH H3 3579 1.868 2.108 8.515 -0.4125 -0.2698 0.3632
1194MeOH Me1 3580 2.623 3.016 6.805 0.5200 -0.0986 0.0354
1194MeOH O2 3581 2.677 2.903 6.892 0.6820 0.0958 0.1882
1194MeOH H3 3582 2.600 2.857 6.937 0.8299 0.9584 1.3882
1195MeOH Me1 3583 3.657 2.674 6.998 0.5730 -0.4011 -0.6899
1195MeOH O2 3584 3.598 2.572 7.096 -0.1950 0.2791 -0.4383
1195MeOH H3 3585 3.644 2.584 7.184 1.5630 -1.3379 -1.0572
1196MeOH Me1 3586 3.591 2.537 6.252 0.0839 0.1397 -0.0868
1196MeOH O2 3587 3.443 2.568 6.270 -0.0162 -0.3540 -0.0473
1196MeOH H3 3588 3.417 2.547 6.364 0.1328 -0.1623 0.0363
1197MeOH Me1 3589 2.355 2.180 9.395 -0.2627 -0.0141 -0.1830
1197MeOH O2 3590 2.338 2.239 9.535 -0.1740 -0.1395 -0.1191
1197MeOH H3 3591 2.374 2.332 9.534 -1.9084 0.5596 -0.5595
1198MeOH Me1 3592 2.609 3.716 29.381 0.1448 0.1403 -0.3360
1198MeOH O2 3593 2.524 3.590 29.403 0.3584 -0.0271 -0.4757
1198MeOH H3 3594 2.543 3.555 29.494 -0.4929 0.5991 -0.0474
1199MeOH Me1 3595 0.781 1.668 2.072 0.3224 0.2535 0.1144
1199MeOH O2 3596 0.704 1.769 1.987 -0.2415 0.2822 0.6568
1199MeOH H3 3597 0.613 1.782 2.028 0.3838 1.0570 1.8823
1200MeOH Me1 3598 4.307 2.108 4.407 0.3842 -0.2558 0.4186
1200MeOH O2 3599 4.302 2.178 4.272 0.5771 0.2625 0.6802
1200MeOH H3 3600 4.278 2.274 4.287 0.7478 0.2516 1.0285
1201MeOH Me1 3601 0.390 0.527 5.856 0.1458 -0.0869 -0.0567
1201MeOH O2 3602 0.418 0.377 5.842 0.3249 -0.0048 -0.6121
1201MeOH H3 3603 0.384 0.347 5.753 -1.1386 -0.0473 -0.0672
1202MeOH Me1 3604 2.986 4.511 8.091 -0.0818 -0.0693 0.1037
1202MeOH O2 3605 3.088 4.420 8.160 -0.4449 -0.3183 0.3139
1202MeOH H3 3606 3.066 4.325 8.138 -0.3171 -0.2384 -0.1653
1203MeOH Me1 3607 3.099 2.476 4.204 0.3498 0.0142 -0.2361
1203MeOH O2 3608 2.982 2.470 4.105 0.2383 0.7646 -0.1628
1203MeOH H3 3609 2.996 2.540 4.035 1.8109 -0.7169 -1.4166
1204MeOH Me1 3610 1.357 0.519 2.135 0.7857 0.1081 -0.3651
1204MeOH O2 3611 1.363 0.650 2.213 -0.2003 -0.1086 0.0936
1204MeOH H3 3612 1.430 0.710 2.169 -0.0568 0.2380 0.7661
1205MeOH Me1 3613 2.688 3.448 7.571 -0.1080 0.4349 0.1626
1205MeOH O2 3614 2.600 3.567 7.608 -0.0533 0.4098 0.3716
1205MeOH H3 3615 2.655 3.632 7.661 -0.3023 -0.2064 1.4341
1206MeOH Me1 3616 0.181 3.924 8.988 0.3404 -0.3739 -0.1607
1206MeOH O2 3617 0.068 3.837 9.045 0.1254 0.1030 0.1525
1206MeOH H3 3618 0.060 3.755 8.988 0.4863 -0.4832 0.9371
1207MeOH Me1 3619 0.806 2.722 6.933 -0.2778 0.3501 -0.5087
1207MeOH O2 3620 0.734 2.710 7.068 0.3579 0.0292 -0.1952
1207MeOH H3 3621 0.654 2.770 7.066 -0.0366 -0.4829 0.0745
1208MeOH Me1 3622 3.227 3.841 10.331 -0.5484 -0.5105 -0.3491
1208MeOH O2 3623 3.352 3.813 10.247 -0.1559 -0.2855 0.1561
1208MeOH H3 3624 3.422 3.879 10.273 -0.8970 0.8546 -0.6307
1209MeOH Me1 3625 0.512 4.773 7.002 -0.0094 -0.2853 -0.4247
1209MeOH O2 3626 0.427 4.770 7.129 0.0702 0.2636 -0.3560
1209MeOH H3 3627 0.347 4.713 7.112 0.8411 -1.1127 0.4467
1210MeOH Me1 3628 4.587 3.933 8.807 -0.5013 -0.2628 -0.5777
1210MeOH O2 3629 4.614 4.011 8.678 0.6447 -0.2922 -0.3677
1210MeOH H3 3630 4.675 4.087 8.699 1.6304 -1.1339 -0.1249
1211MeOH Me1 3631 3.779 4.393 3.480 0.3517 0.8877 0.3496
1211MeOH O2 3632 3.833 4.258 3.529 0.4912 0.6058 -0.5739
1211MeOH H3 3633 3.778 4.185 3.489 0.5722 0.8167 -1.0847
1212MeOH Me1 3634 3.450 4.683 4.168 0.4258 0.6241 0.1515
1212MeOH O2 3635 3.550 4.567 4.170 -0.0798 0.1848 0.2854
1212MeOH H3 3636 3.524 4.503 4.242 -1.9815 -1.0665 -1.4217
1213MeOH Me1 3637 0.727 3.720 6.990 -0.4004 -0.0020 0.1502
1213MeOH O2 3638 0.606 3.703 6.897 0.3137 -0.5041 -0.7086
1213MeOH H3 3639 0.618 3.764 6.818 -0.2227 0.9241 0.2701
1214MeOH Me1 3640 4.271 1.251 2.701 0.2836 0.3416 0.4574
1214MeOH O2 3641 4.224 1.233 2.845 -0.0058 -0.3777 0.2797
1214MeOH H3 3642 4.221 1.135 2.866 0.4445 -0.4644 -0.0515
1215MeOH Me1 3643 3.546 0.576 0.932 -0.5238 -0.1374 -0.2420
1215MeOH O2 3644 3.611 0.679 0.840 0.6407 -0.4062 0.2542
1215MeOH H3 3645 3.673 0.736 0.894 -0.0085 -0.2612 0.8592
1216MeOH Me1 3646 1.419 4.469 5.542 0.1683 0.3193 -0.1202
1216MeOH O2 3647 1.412 4.353 5.641 -0.7116 -0.1565 -0.7282
1216MeOH H3 3648 1.486 4.290 5.622 -0.5963 -0.1168 -0.4218
1217MeOH Me1 3649 2.229 0.807 11.158 0.1381 0.4064 -0.0903
1217MeOH O2 3650 2.106 0.886 11.114 -0.0092 0.6348 0.7176
1217MeOH H3 3651 2.060 0.836 11.040 0.3997 1.5539 -0.1934
1218MeOH Me1 3652 4.612 1.077 6.183 0.6609 -0.2093 -0.3136
1218MeOH O2 3653 4.591 1.139 6.045 -0.2003 0.5825 0.1573
1218MeOH H3 3654 4.544 1.072 5.987 1.2673 0.0976 -0.5331
1219MeOH Me1 3655 3.194 0.568 29.874 1.0492 0.1255 -0.0357
1219MeOH O2 3656 3.203 0.437 29.795 -0.4759 -0.1836 0.2799
1219MeOH H3 3657 3.174 0.362 29.855 -0.2863 0.1641 0.8107
1220MeOH Me1 3658 1.726 4.832 2.825 -0.4622 0.5532 0.6210
1220MeOH O2 3659 1.675 4.688 2.842 0.5114 0.1511 0.2031
1220MeOH H3 3660 1.578 4.686 2.818 -0.2827 0.2051 3.0298
1221MeOH Me1 3661 2.975 4.658 10.279 0.3923 -0.1970 -0.3224
1221MeOH O2 3662 2.942 4.691 10.425 -0.0371 -0.2102 -0.4163
1221MeOH H3 3663 2.948 4.607 10.478 0.9117 -0.0211 -0.2054
1222MeOH Me1 3664 1.533 2.041 7.368 0.2162 -0.1645 -0.1623
1222MeOH O2 3665 1.506 1.893 7.397 -0.3960 -0.0531 -0.1673
1222MeOH H3 3666 1.417 1.886 7.444 -0.2768 0.3414 0.1217
1223MeOH Me1 3667 0.466 3.037 9.963 0.5237 -0.2407 -0.5007
1223MeOH O2 3668 0.541 3.085 9.839 1.0500 0.8024 0.2018
1223MeOH H3 3669 0.474 3.119 9.773 1.2636 0.6872 -0.0781
1224MeOH Me1 3670 2.534 1.196 6.343 0.0640 0.2115 -0.3722
1224MeOH O2 3671 2.651 1.116 6.286 0.0179 -0.1755 0.0661
1224MeOH H3 3672 2.734 1.172 6.294 0.1162 -0.3260 0.0953
1225MeOH Me1 3673 1.716 0.203 2.537 -0.1701 0.4095 0.0323
1225MeOH O2 3674 1.816 0.274 2.629 0.0719 -0.3406 0.3549
1225MeOH H3 3675 1.775 0.360 2.659 0.0794 -0.6477 1.2983
1226MeOH Me1 3676 0.707 0.844 10.563 0.0206 -0.4975 -0.4434
1226MeOH O2 3677 0.794 0.725 10.522 0.5956 0.0501 -0.8158
1226MeOH H3 3678 0.795 0.720 10.422 0.2673 0.1099 -0.8241
1227MeOH Me1 3679 5.015 3.166 8.480 0.9221 -0.0144 0.2281
1227MeOH O2 3680 4.946 3.033 8.449 0.4395 0.2004 0.3743
1227MeOH H3 3681 4.970 3.006 8.356 -1.2935 1.0205 -0.3426
1228MeOH Me1 3682 2.501 3.628 3.057 0.3751 -0.2307 0.3306
1228MeOH O2 3683 2.349 3.626 3.072 0.3614 -0.0992 0.1975
1228MeOH H3 3684 2.308 3.610 2.982 0.4151 0.6563 0.0253
1229MeOH Me1 3685 4.640 2.522 29.690 0.1397 -0.0356 0.2222
1229MeOH O2 3686 4.712 2.608 29.795 0.2372 0.1577 -0.0022
1229MeOH H3 3687 4.753 2.548 29.863 -1.0059 0.3314 0.9254
1230MeOH Me1 3688 4.240 0.719 3.621 -0.0743 0.3535 0.3161
1230MeOH O2 3689 4.119 0.693 3.531 -0.0366 0.3139 0.2767
1230MeOH H3 3690 4.055 0.769 3.541 1.5849 2.2351 -2.5384
1231MeOH Me1 3691 3.551 4.802 4.716 -1.0371 -0.4899 0.4459
1231MeOH O2 3692 3.591 4.818 4.863 0.2490 0.1941 0.0303
1231MeOH H3 3693 3.659 4.749 4.885 0.9272 0.7042 -0.4027
1232MeOH Me1 3694 3.461 1.301 4.098 0.6661 -0.2376 0.5436
1232MeOH O2 3695 3.547 1.188 4.039 0.1298 -0.4417 0.1509
1232MeOH H3 3696 3.486 1.121 3.997 -0.1628 0.3214 -0.6715
1233MeOH Me1 3697 1.023 1.939 9.574 0.4324 -0.2967 0.1205
1233MeOH O2 3698 1.077 2.074 9.527 0.1684 -0.4086 -0.5192
1233MeOH H3 3699 1.016 2.110 9.457 -2.7212 1.3907 2.6386
1234MeOH Me1 3700 3.257 0.165 9.788 -0.2777 0.2965 -0.5719
1234MeOH O2 3701 3.138 0.070 9.802 -0.4995 0.6337 -0.1053
1234MeOH H3 3702 3.109 0.042 9.710 -0.5169 0.2007 0.0277
1235MeOH Me1 3703 0.206 0.332 0.368 -0.7959 -0.0089 -0.3363
1235MeOH O2 3704 0.305 0.448 0.356 -0.5586 -0.1425 0.2849
1235MeOH H3 3705 0.266 0.516 0.294 -1.2066 1.0818 1.9353
1236MeOH Me1 3706 1.809 2.501 29.823 -0.4921 0.1525 -0.5639
1236MeOH O2 3707 1.926 2.428 29.758 -0.1757 -0.1329 0.3030
1236MeOH H3 3708 1.903 2.412 29.661 0.3470 -0.4018 0.2212
1237MeOH Me1 3709 3.014 3.938 1.867 0.0270 0.0652 -0.0886
1237MeOH O2 3710 2.988 3.977 1.722 -0.3725 -0.1213 -0.0698
1237MeOH H3 3711 3.070 3.956 1.668 -0.1053 0.8291 -0.0598
1238MeOH Me1 3712 2.591 0.566 1.467 -0.3030 -0.2437 -0.2162
1238MeOH O2 3713 2.685 0.492 1.562 0.4629 0.2462 -0.5866
1238MeOH H3 3714 2.636 0.414 1.600 0.7976 0.3922 0.1440
1239MeOH Me1 3715 2.387 4.753 1.376 0.2868 0.4257 -0.3548
1239MeOH O2 3716 2.526 4.816 1.378 0.2857 0.4200 0.4792
1239MeOH H3 3717 2.593 4.746 1.355 0.4205 0.4221 0.8585
1240MeOH Me1 3718 4.797 4.086 0.825 0.1863 -0.2622 0.4137
1240MeOH O2 3719 4.895 4.175 0.747 -0.0274 -0.0431 0.3964
1240MeOH H3 3720 4.843 4.226 0.679 -0.2763 0.4347 0.9326
1241MeOH Me1 3721 1.694 3.889 10.464 -0.0893 -1.1395 0.0589
1241MeOH O2 3722 1.826 3.835 10.406 0.4328 -0.0977 0.2219
1241MeOH H3 3723 1.804 3.762 10.342 1.0754 0.0280 -0.1415
1242MeOH Me1 3724 2.421 0.193 10.481 -0.4236 0.2077 0.4787
1242MeOH O2 3725 2.372 0.105 10.366 -0.0992 0.2823 0.2819
1242MeOH H3 3726 2.326 0.163 10.298 -1.1185 0.1578 0.8443
1243MeOH Me1 3727 4.209 1.708 6.622 -0.2978 0.4599 0.0605
1243MeOH O2 3728 4.171 1.618 6.504 -0.1204 -0.1992 0.5022
1243MeOH H3 3729 4.099 1.663 6.451 0.5235 -0.1180 -0.3219
1244MeOH Me1 3730 3.887 3.323 6.049 0.3473 0.4025 0.0850
1244MeOH O2 3731 3.913 3.376 5.908 0.1768 -0.1860 -0.1690
1244MeOH H3 3732 4.006 3.414 5.905 0.3126 -0.5407 -0.5437
1245MeOH Me1 3733 0.488 0.471 10.675 -0.0071 -0.2657 -0.1866
1245MeOH O2 3734 0.405 0.436 10.551 -0.0435 0.2851 -0.3196
1245MeOH H3 3735 0.367 0.344 10.562 0.6038 -0.0880 -1.0523
1246MeOH Me1 3736 1.550 1.580 3.509 0.1236 0.2185 -0.3800
1246MeOH O2 3737 1.656 1.510 3.593 0.2087 0.5813 -0.1847
1246MeOH H3 3738 1.746 1.529 3.553 0.0414 -1.0411 -1.4570
1247MeOH Me1 3739 1.770 2.204 4.370 -0.5472 -0.2176 0.1741
1247MeOH O2 3740 1.630 2.264 4.353 -0.2569 0.4055 -0.0417
1247MeOH H3 3741 1.587 2.221 4.274 -0.6713 -0.0983 0.4545
1248MeOH Me1 3742 1.517 3.174 2.648 -0.0083 0.2611 -0.4815
1248MeOH O2 3743 1.652 3.140 2.584 0.0105 -0.1852 -0.2080
1248MeOH H3 3744 1.725 3.181 2.638 0.0165 -0.1315 -0.2562
1249MeOH Me1 3745 3.924 1.140 7.899 -0.4854 -0.2315 -0.3686
1249MeOH O2 3746 3.964 1.276 7.843 0.3995 -0.3636 -0.0715
1249MeOH H3 3747 4.038 1.262 7.777 0.1869 -0.7210 -0.2384
1250MeOH Me1 3748 3.514 4.297 1.253 0.3727 -0.2108 0.2913
1250MeOH O2 3749 3.409 4.189 1.282 0.6272 -0.4733 0.2023
1250MeOH H3 3750 3.440 4.103 1.242 0.4215 -0.1800 -0.6139
1251MeOH Me1 3751 3.638 2.728 9.850 -0.1028 0.2364 -0.4621
1251MeOH O2 3752 3.566 2.800 9.964 0.0902 -0.1138 -0.1194
1251MeOH H3 3753 3.469 2.807 9.941 0.0295 -0.1537 0.1223
1252MeOH Me1 3754 2.864 2.275 29.688 0.3123 0.7576 -0.4777
1252MeOH O2 3755 2.925 2.225 29.819 -0.8713 0.1114 -0.1670
1252MeOH H3 3756 2.856 2.169 29.866 -1.3517 -0.0098 -0.9891
1253MeOH Me1 3757 4.458 3.717 0.364 -0.2697 -0.3617 0.0513
1253MeOH O2 3758 4.554 3.742 0.481 0.2690 -0.3677 -0.3867
1253MeOH H3 3759 4.533 3.677 0.553 -0.7987 0.9665 0.5551
1254MeOH Me1 3760 2.767 1.792 1.362 0.7030 -0.3886 -0.3500
1254MeOH O2 3761 2.697 1.725 1.481 -0.3507 0.6082 -0.4003
1254MeOH H3 3762 2.701 1.787 1.559 2.0033 -0.0782 0.1061
1255MeOH Me1 3763 4.416 1.073 7.662 -0.6035 -0.0281 -1.1244
1255MeOH O2 3764 4.539 0.985 7.640 -0.3296 0.0615 -0.0315
1255MeOH H3 3765 4.562 0.939 7.726 -1.4412 -0.4036 0.0308
1256MeOH Me1 3766 1.646 0.195 3.406 0.3262 0.1597 -0.5817
1256MeOH O2 3767 1.655 0.302 3.516 -0.4455 -0.1498 -0.2141
1256MeOH H3 3768 1.580 0.367 3.503 0.5871 0.8321 -1.5760
1257MeOH Me1 3769 0.665 4.800 4.863 0.4538 0.5652 0.4564
1257MeOH O2 3770 0.772 4.744 4.769 -0.1283 0.4467 -0.1486
1257MeOH H3 3771 0.788 4.648 4.793 0.3844 0.6169 0.2188
1258MeOH Me1 3772 0.130 4.321 6.837 -0.1259 0.5035 -0.1910
1258MeOH O2 3773 0.005 4.333 6.749 -0.0306 -0.1982 -0.4276
1258MeOH H3 3774 -0.073 4.296 6.800 -0.1326 0.4422 -0.1091
1259MeOH Me1 3775 2.628 3.131 4.585 0.2312 0.7644 -0.2220
1259MeOH O2 3776 2.573 3.189 4.455 -0.3737 0.3503 -0.1563
1259MeOH H3 3777 2.518 3.119 4.410 -1.1184 0.4172 0.6341
1260MeOH Me1 3778 3.713 1.046 29.924 0.1687 -0.3423 -0.6445
1260MeOH O2 3779 3.797 1.140 29.838 0.0126 0.4692 0.0711
1260MeOH H3 3780 3.754 1.148 29.748 -0.1854 1.3624 0.2380
1261MeOH Me1 3781 2.933 2.245 4.761 -0.1037 0.0553 -0.1127
1261MeOH O2 3782 2.875 2.190 4.891 0.1991 -0.2381 -0.0995
1261MeOH H3 3783 2.939 2.123 4.929 1.1938 1.0227 0.5558
1262MeOH Me1 3784 3.887 1.398 5.359 -0.3404 -0.2799 0.1170
1262MeOH O2 3785 3.968 1.292 5.284 -0.0698 -0.0346 0.0581
1262MeOH H3 3786 4.022 1.337 5.214 0.7264 0.2833 0.8572
1263MeOH Me1 3787 3.140 4.400 4.481 0.0660 0.2150 -0.6623
1263MeOH O2 3788 3.284 4.358 4.511 0.0345 0.1195 -0.6426
1263MeOH H3 3789 3.285 4.304 4.595 -0.0437 -0.0831 -0.7719
1264MeOH Me1 3790 4.196 2.945 9.942 0.3210 -0.5065 -0.0560
1264MeOH O2 3791 4.229 3.073 10.020 -0.2851 -0.2796 -0.1675
1264MeOH H3 3792 4.309 3.055 10.078 -0.3792 0.0613 0.0696
1265MeOH Me1 3793 1.618 3.474 7.067 -0.1614 -0.2772 -0.2617
1265MeOH O2 3794 1.706 3.489 7.191 -0.0031 0.4963 -0.4599
1265MeOH H3 3795 1.763 3.570 7.179 1.2619 -0.5308 -1.8456
1266MeOH Me1 3796 3.573 0.309 5.589 0.3125 -0.2142 0.4019
1266MeOH O2 3797 3.585 0.441 5.666 0.0591 -0.0602 0.1814
1266MeOH H3 3798 3.675 0.444 5.709 0.0522 0.2026 0.1703
1267MeOH Me1 3799 2.813 2.994 2.640 -0.0423 -0.4453 -0.0080
1267MeOH O2 3800 2.832 2.989 2.791 -0.0719 -0.3014 0.0014
1267MeOH H3 3801 2.776 3.061 2.833 -2.0488 -1.8322 0.1237
1268MeOH Me1 3802 4.160 3.887 3.787 0.0772 0.0204 0.0060
1268MeOH O2 3803 4.311 3.886 3.810 0.1255 0.5571 -0.2721
1268MeOH H3 3804 4.347 3.797 3.784 0.2652 0.3871 0.4797
1269MeOH Me1 3805 3.420 2.485 7.546 -0.0598 0.1979 0.2064
1269MeOH O2 3806 3.547 2.409 7.508 0.0625 0.6825 -0.3653
1269MeOH H3 3807 3.541 2.316 7.545 1.1089 1.0147 0.7175
1270MeOH Me1 3808 2.333 3.502 3.443 -0.4399 -0.0012 0.0540
1270MeOH O2 3809 2.242 3.550 3.330 -0.1456 0.9082 0.1982
1270MeOH H3 3810 2.300 3.574 3.251 -0.0299 -0.0332 -0.0201
1271MeOH Me1 3811 3.914 0.793 2.080 -0.1435 -0.3848 -0.2581
1271MeOH O2 3812 3.872 0.647 2.102 -0.3714 -0.2445 0.2657
1271MeOH H3 3813 3.898 0.594 2.021 0.6017 -0.8116 0.9274
1272MeOH Me1 3814 3.354 0.736 29.238 0.1805 0.8431 -0.6504
1272MeOH O2 3815 3.299 0.859 29.310 -0.0200 0.3443 0.0580
1272MeOH H3 3816 3.285 0.836 29.407 -2.4046 -1.0106 -0.5488
1273MeOH Me1 3817 4.524 2.160 8.794 -0.3248 0.0865 0.5880
1273MeOH O2 3818 4.456 2.035 8.850 -0.0442 -0.3562 -0.0449
1273MeOH H3 3819 4.358 2.040 8.831 -0.2003 -0.0225 0.7931
1274MeOH Me1 3820 1.073 3.606 3.784 -0.1537 0.2976 -0.8214
1274MeOH O2 3821 1.219 3.604 3.739 -0.0404 -0.3039 -0.4420
1274MeOH H3 3822 1.226 3.551 3.655 -0.2738 0.7079 -1.1241
1275MeOH Me1 3823 3.028 0.535 10.906 -0.2680 0.1468 -0.2281
1275MeOH O2 3824 3.028 0.687 10.889 -0.4201 0.2035 0.2756
1275MeOH H3 3825 3.122 0.718 10.875 -0.5272 0.2597 -0.3484
1276MeOH Me1 3826 3.404 1.167 6.206 -0.0186 0.0451 -0.5940
1276MeOH O2 3827 3.296 1.268 6.170 -0.2017 -0.0602 -0.3453
1276MeOH H3 3828 3.315 1.304 6.078 -1.2009 -1.0592 -0.9775
1277MeOH Me1 3829 2.950 1.738 4.926 -0.4244 -0.4655 -0.5205
1277MeOH O2 3830 3.031 1.719 4.798 -0.4973 -0.4612 -0.5715
1277MeOH H3 3831 3.021 1.801 4.741 1.7989 0.8420 0.7569
1278MeOH Me1 3832 0.504 4.825 9.043 0.2116 0.0060 0.1708
1278MeOH O2 3833 0.490 4.677 9.005 -0.6766 0.2985 -0.6908
1278MeOH H3 3834 0.450 4.628 9.083 1.3757 -0.3599 0.0087
1279MeOH Me1 3835 0.098 1.265 10.373 -0.3549 -0.6539 -0.1162
1279MeOH O2 3836 0.086 1.113 10.365 0.1603 -0.6975 -0.0228
1279MeOH H3 3837 0.058 1.088 10.273 -1.8045 -0.7095 0.5443
1280MeOH Me1 3838 0.779 1.093 1.668 0.1227 0.3472 0.7574
1280MeOH O2 3839 0.765 0.955 1.732 0.5705 0.1314 0.3917
1280MeOH H3 3840 0.820 0.890 1.679 -1.3822 -0.1229 -1.4615
1281MeOH Me1 3841 4.533 1.044 4.535 0.1642 0.2634 -0.1324
1281MeOH O2 3842 4.472 1.144 4.633 -0.1214 0.1886 -0.2315
1281MeOH H3 3843 4.489 1.236 4.599 0.9965 0.2588 0.4634
1282MeOH Me1 3844 1.225 2.310 10.684 0.0015 -0.2879 0.1348
1282MeOH O2 3845 1.220 2.392 10.555 0.2506 0.4279 0.5748
1282MeOH H3 3846 1.261 2.339 10.481 1.8448 1.4485 0.6720
1283MeOH Me1 3847 0.562 0.098 8.846 0.0934 -0.4746 -0.7661
1283MeOH O2 3848 0.414 0.098 8.881 0.3912 -0.0636 0.5728
1283MeOH H3 3849 0.362 0.074 8.799 -0.2130 -3.2744 1.7464
1284MeOH Me1 3850 3.624 2.250 6.528 -0.1180 -0.2622 0.0433
1284MeOH O2 3851 3.680 2.391 6.543 -0.3140 -0.2244 0.3962
1284MeOH H3 3852 3.612 2.457 6.510 0.3977 -0.3482 -1.4084
1285MeOH Me1 3853 0.122 2.808 9.563 0.4454 0.4058 -0.2449
1285MeOH O2 3854 0.263 2.854 9.599 0.3392 0.2241 0.4278
1285MeOH H3 3855 0.323 2.774 9.599 0.3958 0.2665 -0.0445
1286MeOH Me1 3856 1.458 3.066 6.644 0.3745 -0.8065 0.0789
1286MeOH O2 3857 1.409 3.179 6.736 -0.1591 -0.6529 -0.3884
1286MeOH H3 3858 1.316 3.204 6.709 -0.1524 -0.9711 -0.7127
1287MeOH Me1 3859 0.456 1.981 1.702 -0.0969 -0.2608 0.0339
1287MeOH O2 3860 0.392 2.114 1.662 0.1958 0.0390 0.5636
1287MeOH H3 3861 0.423 2.185 1.726 1.1558 -0.0780 0.2436
1288MeOH Me1 3862 3.459 3.495 1.088 0.0754 -0.4848 0.4252
1288MeOH O2 3863 3.590 3.470 1.012 0.2671 0.0353 0.5824
1288MeOH H3 3864 3.580 3.387 0.958 -0.0115 0.9955 -0.9197
1289MeOH Me1 3865 3.968 2.140 9.229 0.0220 0.0004 0.3265
1289MeOH O2 3866 3.960 2.009 9.151 0.5824 0.1503 0.0202
1289MeOH H3 3867 3.865 1.991 9.128 0.7740 0.4000 -1.0521
1290MeOH Me1 3868 0.047 0.572 29.833 0.2789 -0.0573 0.0117
1290MeOH O2 3869 0.015 0.577 29.983 -0.2256 -0.2791 -0.0869
1290MeOH H3 3870 -0.044 0.500 30.006 -0.2720 -0.3342 -0.3917
1291MeOH Me1 3871 1.832 0.344 4.976 0.3705 -0.1442 -0.4356
1291MeOH O2 3872 1.776 0.351 4.834 0.3369 -0.3654 -0.4340
1291MeOH H3 3873 1.684 0.312 4.835 0.5249 -0.8160 -0.4505
1292MeOH Me1 3874 4.292 0.846 2.879 0.0978 -0.1718 0.3656
1292MeOH O2 3875 4.304 0.970 2.968 -0.4101 0.0090 0.1881
1292MeOH H3 3876 4.270 0.946 3.059 1.3452 -0.5589 0.7446
1293MeOH Me1 3877 1.718 4.736 8.492 -0.0370 -0.5262 -0.2718
1293MeOH O2 3878 1.838 4.831 8.495 0.1033 -0.6981 -0.3915
1293MeOH H3 3879 1.881 4.826 8.585 -1.0984 0.8179 0.3321
1294MeOH Me1 3880 3.065 1.067 3.145 -0.4372 -0.1052 0.0531
1294MeOH O2 3881 3.067 1.034 3.294 0.2650 0.0605 0.0879
1294MeOH H3 3882 3.007 1.098 3.342 -0.8750 -0.9434 0.0588
1295MeOH Me1 3883 0.242 2.880 8.528 -0.5267 0.0395 -0.0255
1295MeOH O2 3884 0.316 2.747 8.544 0.0177 0.3368 -0.0454
1295MeOH H3 3885 0.340 2.735 8.640 -0.0523 0.3607 -0.0243
1296MeOH Me1 3886 1.843 3.440 2.450 -0.4615 -0.1366 -0.0602
1296MeOH O2 3887 1.769 3.464 2.318 -0.4869 -0.0565 -0.0312
1296MeOH H3 3888 1.771 3.562 2.298 -0.3828 -0.0598 -0.0367
1297MeOH Me1 3889 1.913 4.906 29.732 -0.0093 -0.4121 -0.5517
1297MeOH O2 3890 1.998 5.028 29.768 -0.6349 0.0291 -0.6250
1297MeOH H3 3891 1.987 5.097 29.696 0.3997 -0.7622 -1.5796
1298MeOH Me1 3892 2.751 2.320 5.675 0.1498 -0.0039 -0.3175
1298MeOH O2 3893 2.882 2.259 5.726 -0.0256 0.1040 0.2689
1298MeOH H3 3894 2.877 2.252 5.826 -0.1043 0.9353 0.3300
1299MeOH Me1 3895 0.762 2.725 9.957 0.2214 0.0679 0.3448
1299MeOH O2 3896 0.706 2.585 9.932 -0.1706 0.3757 -0.5199
1299MeOH H3 3897 0.782 2.522 9.918 -0.2679 -0.1307 1.1091
1300MeOH Me1 3898 0.009 1.756 3.010 -0.5185 -0.0789 0.3047
1300MeOH O2 3899 0.072 1.623 2.967 -0.3909 0.1342 -0.1700
1300MeOH H3 3900 0.030 1.595 2.881 -1.3459 -0.2735 0.4016
1301MeOH Me1 3901 5.010 3.106 2.941 0.3618 0.6518 0.2488
1301MeOH O2 3902 4.905 3.019 2.871 0.2738 0.5873 0.4608
1301MeOH H3 3903 4.816 3.037 2.912 0.0066 1.9727 -0.6277
1302MeOH Me1 3904 0.311 0.969 7.644 -0.3700 0.4672 -0.4966
1302MeOH O2 3905 0.328 1.120 7.627 0.0982 0.4868 0.1079
1302MeOH H3 3906 0.253 1.154 7.571 0.7066 0.8025 -0.5283
1303MeOH Me1 3907 5.038 1.725 7.946 0.3896 0.4719 0.4986
1303MeOH O2 3908 4.908 1.781 7.888 0.6159 0.1861 -0.2912
1303MeOH H3 3909 4.833 1.763 7.952 -0.0242 -1.3006 -1.4078
1304MeOH Me1 3910 3.587 0.436 0.604 -0.2056 -0.0969 -0.3714
1304MeOH O2 3911 3.623 0.574 0.551 -0.0409 -0.0456 -0.1301
1304MeOH H3 3912 3.634 0.637 0.628 -0.5338 -0.0572 -0.0522
1305MeOH Me1 3913 0.810 0.281 4.312 0.1335 0.1382 -0.1343
1305MeOH O2 3914 0.664 0.271 4.268 0.0310 0.1926 0.1916
1305MeOH H3 3915 0.607 0.257 4.349 0.2394 -0.1261 0.2812
1306MeOH Me1 3916 0.222 2.060 5.225 -0.1931 -0.2085 0.1587
1306MeOH O2 3917 0.097 1.973 5.236 -0.1170 -0.4068 -0.4652
1306MeOH H3 3918 0.037 2.013 5.307 0.8810 -2.2251 1.5038
1307MeOH Me1 3919 3.332 0.978 1.476 0.2529 0.2386 -0.1656
1307MeOH O2 3920 3.430 0.868 1.518 0.3406 0.4251 0.1227
1307MeOH H3 3921 3.433 0.864 1.618 -1.5988 -1.0210 0.1936
1308MeOH Me1 3922 3.494 5.002 3.679 -0.2662 -0.4237 0.1527
1308MeOH O2 3923 3.549 4.865 3.722 -0.2297 -0.4257 0.1008
1308MeOH H3 3924 3.479 4.796 3.703 -2.1399 0.0866 4.1491
1309MeOH Me1 3925 3.709 1.975 29.340 0.1960 0.0105 0.2125
1309MeOH O2 3926 3.714 2.090 29.441 -0.3879 0.2764 -0.0490
1309MeOH H3 3927 3.688 2.055 29.531 1.6563 -0.1083 0.4419
1310MeOH Me1 3928 3.272 4.574 9.185 0.1413 0.1795 0.1933
1310MeOH O2 3929 3.127 4.584 9.232 0.2666 0.2925 0.5582
1310MeOH H3 3930 3.110 4.678 9.261 0.2437 0.4566 0.0357
1311MeOH Me1 3931 3.930 3.881 5.134 -0.3768 -0.4621 -0.0014
1311MeOH O2 3932 3.893 3.957 5.006 -0.3472 0.3807 0.4825
1311MeOH H3 3933 3.954 3.928 4.933 0.4586 1.7143 0.5821
1312MeOH Me1 3934 1.297 4.073 0.434 0.3873 -0.3945 0.0919
1312MeOH O2 3935 1.241 4.176 0.336 -0.0024 -0.4302 0.2785
1312MeOH H3 3936 1.207 4.254 0.389 -0.5973 -0.7931 0.4396
1313MeOH Me1 3937 3.331 1.247 4.944 0.0623 -0.6304 -0.0152
1313MeOH O2 3938 3.248 1.200 5.063 -0.0571 -0.2839 0.0369
1313MeOH H3 3939 3.161 1.250 5.063 1.9349 3.7798 2.8141
1314MeOH Me1 3940 1.308 3.545 10.712 -0.1117 0.1443 0.3694
1314MeOH O2 3941 1.420 3.634 10.660 0.1843 -0.5185 -0.1402
1314MeOH H3 3942 1.414 3.723 10.704 1.1706 -0.6108 0.2175
1315MeOH Me1 3943 3.701 5.062 7.169 -0.4240 0.1290 0.4657
1315MeOH O2 3944 3.791 4.961 7.240 0.2175 0.1310 -0.3192
1315MeOH H3 3945 3.749 4.870 7.233 0.8412 -0.1077 -1.1085
1316MeOH Me1 3946 3.763 4.105 8.065 -0.2739 0.6792 0.3456
1316MeOH O2 3947 3.729 4.146 7.921 -0.5064 -0.1816 0.1506
1316MeOH H3 3948 3.807 4.122 7.863 -0.8790 -1.1665 0.0436
1317MeOH Me1 3949 0.542 4.104 4.531 -0.2223 -0.7380 0.4868
1317MeOH O2 3950 0.421 4.196 4.523 0.1981 -0.2293 -0.1724
1317MeOH H3 3951 0.372 4.178 4.437 -0.1051 -0.9104 0.1346
1318MeOH Me1 3952 2.212 2.344 3.718 -0.0015 0.5759 -0.5061
1318MeOH O2 3953 2.089 2.428 3.752 -0.4750 -0.3738 0.1568
1318MeOH H3 3954 2.069 2.416 3.850 0.6735 0.1516 0.4704
1319MeOH Me1 3955 3.249 3.405 7.983 -0.0361 0.2802 -0.3370
1319MeOH O2 3956 3.284 3.482 8.111 -0.2194 -0.4935 0.1899
1319MeOH H3 3957 3.327 3.419 8.175 -2.9057 -1.6028 1.0454
1320MeOH Me1 3958 3.166 1.739 9.562 -0.2184 0.0428 -0.0164
1320MeOH O2 3959 3.207 1.641 9.453 -0.1980 0.1911 -0.1418
1320MeOH H3 3960 3.302 1.661 9.426 -1.1234 2.2290 -2.2502
1321MeOH Me1 3961 1.776 2.047 6.865 0.4818 0.1301 -0.2004
1321MeOH O2 3962 1.735 2.171 6.944 0.1670 -0.3057 0.3278
1321MeOH H3 3963 1.636 2.185 6.932 0.1068 -0.5856 0.5044
1322MeOH Me1 3964 4.154 2.879 7.166 0.1678 -0.5651 -0.3072
1322MeOH O2 3965 4.032 2.920 7.083 0.1114 -0.3275 -0.1090
1322MeOH H3 3966 4.004 2.842 7.027 -0.6211 -0.5273 0.5270
1323MeOH Me1 3967 1.952 3.651 6.024 0.0274 0.4211 0.3390
1323MeOH O2 3968 2.026 3.695 5.897 0.1182 -0.9222 -0.0957
1323MeOH H3 3969 2.124 3.694 5.915 0.0630 0.2837 0.3411
1324MeOH Me1 3970 0.328 0.060 6.027 -0.3159 0.2458 0.2641
1324MeOH O2 3971 0.424 0.106 5.917 -0.1965 -0.3263 0.1253
1324MeOH H3 3972 0.433 0.205 5.923 -0.3070 -0.2751 -0.4801
1325MeOH Me1 3973 1.003 4.667 6.549 -0.3001 0.0068 0.3674
1325MeOH O2 3974 0.917 4.739 6.445 -0.0238 0.2511 0.3062
1325MeOH H3 3975 0.910 4.680 6.364 -0.5023 0.0755 0.4735
1326MeOH Me1 3976 2.331 3.625 9.813 0.5944 -0.0530 0.0189
1326MeOH O2 3977 2.438 3.523 9.772 -0.2465 -0.7174 -0.5536
1326MeOH H3 3978 2.410 3.481 9.686 -0.5975 0.0278 -0.8169
1327MeOH Me1 3979 2.733 0.961 7.001 -0.3310 -0.0174 -0.5472
1327MeOH O2 3980 2.778 0.860 6.894 -0.1707 -0.1318 -0.3730
1327MeOH H3 3981 2.735 0.885 6.807 0.2598 -0.0009 -0.5519
1328MeOH Me1 3982 1.808 1.810 0.250 -0.1836 0.0085 -0.1828
1328MeOH O2 3983 1.934 1.882 0.298 -0.1323 -0.3705 0.2606
1328MeOH H3 3984 1.956 1.955 0.233 0.8675 -1.0468 -0.1948
1329MeOH Me1 3985 0.606 0.037 10.737 0.3831 -0.0734 -0.1167
1329MeOH O2 3986 0.559 0.113 10.861 -0.0274 -0.1984 -0.1939
1329MeOH H3 3987 0.637 0.125 10.923 -0.0776 0.3244 -0.2263
1330MeOH Me1 3988 2.485 4.464 9.518 -0.4641 -0.3220 0.4721
1330MeOH O2 3989 2.565 4.358 9.441 0.1384 0.0723 0.5618
1330MeOH H3 3990 2.581 4.392 9.349 -0.6936 -0.2158 0.2976
1331MeOH Me1 3991 -0.064 3.901 8.708 0.4951 0.1619 0.6293
1331MeOH O2 3992 0.083 3.882 8.668 0.2759 0.0190 -0.1277
1331MeOH H3 3993 0.123 3.972 8.650 0.0531 -0.0648 -1.1083
1332MeOH Me1 3994 0.025 4.185 4.177 -0.0505 0.0232 0.2788
1332MeOH O2 3995 0.147 4.187 4.085 -0.2232 0.1065 0.0261
1332MeOH H3 3996 0.116 4.179 3.991 -0.2710 -2.9257 0.2090
1333MeOH Me1 3997 0.513 1.075 5.517 -0.3796 0.1262 -0.0541
1333MeOH O2 3998 0.632 1.134 5.441 -0.1714 0.0230 0.1944
1333MeOH H3 3999 0.666 1.213 5.492 -0.2246 0.0091 0.2528
1334MeOH Me1 4000 4.355 0.153 7.555 -0.3128 0.1361 -0.5671
1334MeOH O2 4001 4.375 0.027 7.638 -0.3706 0.1928 -0.4668
1334MeOH H3 4002 4.376 0.052 7.735 -1.4617 0.1356 -0.4243
1335MeOH Me1 4003 4.685 4.199 7.294 0.1203 -0.5151 0.3928
1335MeOH O2 4004 4.813 4.212 7.378 0.3301 -0.1397 0.0205
1335MeOH H3 4005 4.794 4.272 7.455 0.4477 -0.0491 -0.0231
1336MeOH Me1 4006 1.387 0.745 2.960 0.5616 -0.9717 0.2356
1336MeOH O2 4007 1.446 0.878 2.914 -0.0994 -0.7054 0.1501
1336MeOH H3 4008 1.446 0.880 2.814 -3.0537 0.5457 0.0818
1337MeOH Me1 4009 4.059 1.988 29.652 0.2131 0.0917 -0.0565
1337MeOH O2 4010 3.983 2.057 29.766 0.5131 0.1502 0.1088
1337MeOH H3 4011 4.029 2.143 29.788 0.1181 0.5561 -0.6044
1338MeOH Me1 4012 4.715 2.155 5.950 -0.5110 -0.1391 0.0908
1338MeOH O2 4013 4.758 2.285 6.020 -0.2311 -0.0854 -0.1774
1338MeOH H3 4014 4.767 2.267 6.118 -2.8239 0.6899 0.2897
1339MeOH Me1 4015 2.930 2.480 10.597 0.0216 -0.3656 -0.2477
1339MeOH O2 4016 3.046 2.482 10.698 0.1741 -0.0837 -0.4248
1339MeOH H3 4017 3.102 2.563 10.681 -0.8346 0.8128 0.3744
1340MeOH Me1 4018 3.967 2.494 9.376 0.1046 -0.2182 -0.1863
1340MeOH O2 4019 4.041 2.396 9.468 -0.3305 -0.1388 0.2585
1340MeOH H3 4020 4.074 2.446 9.548 2.7099 0.8353 -1.4645
1341MeOH Me1 4021 1.006 0.773 6.129 -0.4447 -0.0312 -0.4351
1341MeOH O2 4022 1.045 0.837 5.996 0.1891 -0.0206 -0.2460
1341MeOH H3 4023 1.069 0.764 5.932 0.8757 0.0034 -0.0204
1342MeOH Me1 4024 3.839 0.039 4.649 0.3726 -0.2514 0.4036
1342MeOH O2 4025 3.974 0.033 4.577 0.0568 0.5556 -0.2746
1342MeOH H3 4026 3.960 0.057 4.481 -0.5858 0.3667 -0.2316
1343MeOH Me1 4027 4.110 3.389 10.706 -1.0002 -0.0671 -0.2384
1343MeOH O2 4028 4.142 3.336 10.566 0.3065 0.0596 -0.0015
1343MeOH H3 4029 4.152 3.236 10.572 -1.6116 -0.1915 -0.2890
1344MeOH Me1 4030 0.649 1.728 4.279 0.1450 -0.9901 0.1162
1344MeOH O2 4031 0.502 1.686 4.271 -0.1101 0.0210 -0.7260
1344MeOH H3 4032 0.495 1.589 4.292 -1.0326 0.3419 0.6471
1345MeOH Me1 4033 3.868 1.741 2.192 0.4732 0.0449 -0.4511
1345MeOH O2 4034 3.912 1.879 2.143 0.2192 0.1855 -0.2869
1345MeOH H3 4035 3.989 1.867 2.080 0.6736 0.4428 0.2065
1346MeOH Me1 4036 3.492 1.768 5.612 0.1495 0.0364 0.0502
1346MeOH O2 4037 3.468 1.907 5.670 0.2398 -0.1557 0.5676
1346MeOH H3 4038 3.549 1.963 5.653 -1.0931 1.0323 -2.7381
1347MeOH Me1 4039 0.571 4.740 10.101 0.0254 0.0577 -0.1314
1347MeOH O2 4040 0.606 4.662 10.228 0.0899 -0.4559 -0.4631
1347MeOH H3 4041 0.699 4.687 10.255 -0.2122 0.1094 0.0860
1348MeOH Me1 4042 1.066 3.467 6.147 0.4308 -0.1911 0.4346
1348MeOH O2 4043 1.150 3.358 6.214 0.4545 -0.6430 -0.3072
1348MeOH H3 4044 1.245 3.366 6.183 1.2828 1.9107 2.3537
1349MeOH Me1 4045 0.289 2.199 29.725 0.1338 -0.0896 -0.3123
1349MeOH O2 4046 0.390 2.272 29.635 0.6126 0.1279 0.3885
1349MeOH H3 4047 0.459 2.314 29.693 0.2860 0.0260 0.8622
1350MeOH Me1 4048 2.673 4.619 9.833 -0.5110 -0.6773 -0.2616
1350MeOH O2 4049 2.531 4.672 9.815 -0.0562 0.5307 -0.2556
1350MeOH H3 4050 2.523 4.758 9.864 1.5544 2.1952 -2.6697
1351MeOH Me1 4051 4.914 1.020 4.276 -0.1548 0.5453 -0.3915
1351MeOH O2 4052 4.778 1.053 4.338 -0.0037 -0.0966 0.3006
1351MeOH H3 4053 4.706 1.023 4.275 -0.1705 0.1270 0.3832
1352MeOH Me1 4054 4.704 4.256 4.971 1.0070 0.2933 0.8078
1352MeOH O2 4055 4.804 4.268 4.856 0.1828 -0.0042 0.0490
1352MeOH H3 4056 4.757 4.308 4.778 -0.0333 1.1486 0.7426
1353MeOH Me1 4057 2.386 1.785 9.149 0.3053 -0.3440 0.0085
1353MeOH O2 4058 2.495 1.748 9.250 -0.4396 -0.2657 0.8277
1353MeOH H3 4059 2.559 1.685 9.206 -0.5054 -0.8649 1.5749
1354MeOH Me1 4060 0.602 2.069 7.916 -0.0838 -0.7356 -0.4411
1354MeOH O2 4061 0.472 2.138 7.875 -0.0747 -0.1507 0.4917
1354MeOH H3 4062 0.429 2.085 7.802 -0.9676 -0.1006 0.9644
1355MeOH Me1 4063 3.600 2.135 6.855 0.1554 -0.1430 -0.3036
1355MeOH O2 4064 3.526 2.035 6.944 -0.4121 0.1385 -0.4549
1355MeOH H3 4065 3.585 2.013 7.022 -1.7372 2.0921 1.2165
1356MeOH Me1 4066 2.778 4.577 7.303 -0.3888 0.1236 -0.6969
1356MeOH O2 4067 2.697 4.455 7.259 0.2422 -0.3726 -0.4939
1356MeOH H3 4068 2.642 4.424 7.336 0.2389 -0.3962 -0.5053
1357MeOH Me1 4069 4.863 2.453 6.722 -0.2594 0.5183 0.3910
1357MeOH O2 4070 4.996 2.378 6.736 -0.4178 0.2604 0.5188
1357MeOH H3 4071 4.977 2.284 6.764 -0.8270 -0.5351 -2.0927
1358MeOH Me1 4072 0.961 0.432 7.839 -0.4311 -0.1448 -0.3003
1358MeOH O2 4073 1.048 0.468 7.719 0.4852 -0.0683 0.3692
1358MeOH H3 4074 1.139 0.494 7.751 -0.5864 2.8336 1.3361
1359MeOH Me1 4075 1.831 4.955 1.885 0.5187 0.3606 0.0963
1359MeOH O2 4076 1.868 5.030 1.756 -0.2421 -0.0270 -0.3537
1359MeOH H3 4077 1.966 5.021 1.741 -0.5202 -1.1982 -1.6390
1360MeOH Me1 4078 0.196 3.701 7.827 -0.1082 0.5533 0.7272
1360MeOH O2 4079 0.155 3.837 7.883 -0.1889 0.5311 0.7230
1360MeOH H3 4080 0.113 3.823 7.972 -1.2406 0.3997 0.2198
1361MeOH Me1 4081 4.500 4.287 8.534 -0.3270 0.1145 0.6853
1361MeOH O2 4082 4.556 4.371 8.650 0.5890 0.4167 0.0423
1361MeOH H3 4083 4.649 4.339 8.670 -0.0460 -1.0645 0.8380
1362MeOH Me1 4084 2.456 2.033 6.647 -0.0981 0.0662 0.8893
1362MeOH O2 4085 2.381 1.911 6.700 -0.0083 0.0161 0.9067
1362MeOH H3 4086 2.337 1.936 6.787 1.8212 -0.6531 2.0816
1363MeOH Me1 4087 3.346 4.831 2.827 0.2310 0.3631 -0.4024
1363MeOH O2 4088 3.380 4.930 2.940 0.3711 0.2172 -0.3161
1363MeOH H3 4089 3.393 5.020 2.900 0.3870 0.2557 -0.2230
1364MeOH Me1 4090 1.466 4.943 4.993 0.0780 0.2666 -0.2563
1364MeOH O2 4091 1.386 5.015 4.884 0.2219 0.0626 -0.5009
1364MeOH H3 4092 1.293 4.978 4.884 0.7737 -1.4317 -1.9785
1365MeOH Me1 4093 1.150 0.896 0.390 -0.2445 -0.4001 -0.3070
1365MeOH O2 4094 0.999 0.897 0.416 -0.1875 0.4164 0.0237
1365MeOH H3 4095 0.978 0.824 0.481 -0.5792 -0.1597 -0.7451
1366MeOH Me1 4096 1.549 2.246 3.524 -0.1518 0.1733 0.3357
1366MeOH O2 4097 1.702 2.246 3.512 -0.1558 -0.2650 0.2729
1366MeOH H3 4098 1.736 2.337 3.535 0.1586 -0.5072 0.7791
1367MeOH Me1 4099 4.555 3.751 2.096 -0.1203 0.3018 -0.0239
1367MeOH O2 4100 4.663 3.687 2.009 0.0434 0.2391 0.2263
1367MeOH H3 4101 4.629 3.679 1.915 -0.8694 -2.3838 0.6890
1368MeOH Me1 4102 1.330 2.601 6.786 0.3940 0.6994 0.2311
1368MeOH O2 4103 1.184 2.644 6.797 0.1368 -0.1843 0.3204
1368MeOH H3 4104 1.181 2.739 6.828 -0.4379 -0.4740 1.1932
1369MeOH Me1 4105 1.062 1.109 8.398 0.2708 0.1370 0.1455
1369MeOH O2 4106 1.047 1.188 8.529 -0.3713 -0.1575 0.2526
1369MeOH H3 4107 1.086 1.279 8.516 -0.8759 0.0920 0.4572
1370MeOH Me1 4108 2.392 2.789 9.775 -0.0767 -0.0436 0.0028
1370MeOH O2 4109 2.324 2.671 9.706 -0.2062 -0.0705 0.1799
1370MeOH H3 4110 2.237 2.653 9.753 -0.4936 0.4480 -0.1355
1371MeOH Me1 4111 4.652 2.495 1.228 -0.1405 0.0722 -0.5540
1371MeOH O2 4112 4.541 2.567 1.152 -0.2358 0.1771 -0.3151
1371MeOH H3 4113 4.576 2.593 1.062 0.3969 2.3097 0.4909
1372MeOH Me1 4114 2.856 4.874 2.868 0.1006 -0.1814 -0.0984
1372MeOH O2 4115 2.839 4.866 3.020 -0.0709 0.3806 -0.0867
1372MeOH H3 4116 2.876 4.779 3.052 -0.3789 0.3644 0.2407
1373MeOH Me1 4117 0.363 1.742 29.611 0.1889 -0.2930 0.0495
1373MeOH O2 4118 0.222 1.712 29.558 -0.1101 0.1971 0.5636
1373MeOH H3 4119 0.156 1.756 29.618 0.2383 -0.2706 1.2908
1374MeOH Me1 4120 1.556 4.307 0.449 -0.0657 0.1908 0.0646
1374MeOH O2 4121 1.688 4.247 0.399 -0.1221 -0.1513 0.3232
1374MeOH H3 4122 1.749 4.237 0.477 1.0926 3.2047 -0.0459
1375MeOH Me1 4123 1.415 0.931 5.067 0.0690 -0.2299 -0.3711
1375MeOH O2 4124 1.382 0.934 5.216 0.2484 0.0376 -0.3360
1375MeOH H3 4125 1.361 1.028 5.242 -2.4662 -0.2616 -1.0929
1376MeOH Me1 4126 0.890 0.035 7.026 0.1046 0.4655 0.2511
1376MeOH O2 4127 0.894 0.089 7.169 0.0292 0.0345 0.4175
1376MeOH H3 4128 0.863 0.185 7.168 -0.7263 -0.1962 0.7957
1377MeOH Me1 4129 0.037 0.616 9.224 -0.1957 -0.2215 0.1456
1377MeOH O2 4130 0.049 0.769 9.227 -0.0241 -0.2275 -0.2515
1377MeOH H3 4131 0.140 0.794 9.195 -0.4170 -0.3556 -1.5684
1378MeOH Me1 4132 2.603 4.175 1.647 -0.0520 0.5206 0.0117
1378MeOH O2 4133 2.578 4.259 1.773 -0.5221 0.0905 0.2041
1378MeOH H3 4134 2.510 4.212 1.829 -1.6612 0.4833 -0.8031
1379MeOH Me1 4135 4.403 2.844 5.782 0.0543 0.5823 0.0711
1379MeOH O2 4136 4.288 2.912 5.707 -0.5368 0.1034 0.5352
1379MeOH H3 4137 4.283 3.007 5.736 0.5392 0.6564 -0.9638
1380MeOH Me1 4138 4.035 1.484 7.197 0.2429 -0.2009 -0.5994
1380MeOH O2 4139 3.940 1.375 7.248 -0.2404 0.3289 -0.3544
1380MeOH H3 4140 3.856 1.379 7.193 -0.9742 1.7344 0.8011
1381MeOH Me1 4141 2.419 4.900 2.977 -0.0618 0.0938 0.2427
1381MeOH O2 4142 2.377 4.924 2.832 0.1628 0.8297 0.2948
1381MeOH H3 4143 2.422 4.856 2.774 -0.2888 0.6845 0.1102
1382MeOH Me1 4144 3.633 4.429 7.687 -0.2351 0.9467 0.0416
1382MeOH O2 4145 3.523 4.460 7.586 -0.3054 0.3674 -0.0629
1382MeOH H3 4146 3.495 4.374 7.542 0.7259 0.3142 -0.6455
1383MeOH Me1 4147 0.945 1.373 1.437 0.3238 -0.5767 -0.3101
1383MeOH O2 4148 0.812 1.353 1.364 0.1431 0.0069 -0.1451
1383MeOH H3 4149 0.818 1.397 1.274 -0.0064 0.5437 0.0975
1384MeOH Me1 4150 2.235 1.835 10.803 0.6036 -0.3583 -0.1845
1384MeOH O2 4151 2.190 1.764 10.675 0.3113 -0.3612 -0.0821
1384MeOH H3 4152 2.260 1.776 10.605 -0.2338 0.3594 -0.5129
1385MeOH Me1 4153 4.048 0.698 10.701 0.3827 0.4940 0.2650
1385MeOH O2 4154 4.039 0.774 10.569 0.1935 0.2215 0.1190
1385MeOH H3 4155 3.962 0.738 10.516 -1.0510 1.3612 1.1047
1386MeOH Me1 4156 0.826 0.181 1.185 0.1374 -0.1283 0.0890
1386MeOH O2 4157 0.782 0.213 1.327 0.4879 0.5688 0.0477
1386MeOH H3 4158 0.774 0.127 1.378 0.0215 0.7637 0.3107
1387MeOH Me1 4159 4.033 1.662 -0.012 0.4190 0.5523 0.2853
1387MeOH O2 4160 3.946 1.593 0.093 0.4953 -0.2851 -0.1945
1387MeOH H3 4161 3.879 1.535 0.046 -0.0036 0.6343 -0.6412
1388MeOH Me1 4162 3.022 1.863 8.584 -0.2948 -0.3637 0.0215
1388MeOH O2 4163 3.092 1.729 8.564 0.4330 0.0522 -0.2539
1388MeOH H3 4164 3.191 1.745 8.562 0.3109 0.7261 -1.3424
1389MeOH Me1 4165 1.776 0.367 0.964 0.1542 -0.1849 0.3313
1389MeOH O2 4166 1.838 0.318 1.095 -0.0188 -0.2801 0.3725
1389MeOH H3 4167 1.882 0.230 1.079 0.9401 0.2360 0.1301
1390MeOH Me1 4168 2.614 2.717 2.315 -0.0562 0.3324 -0.5472
1390MeOH O2 4169 2.628 2.869 2.300 0.2163 0.3493 -0.1446
1390MeOH H3 4170 2.561 2.913 2.359 -0.1857 0.2984 -0.5523
1391MeOH Me1 4171 0.305 3.220 8.706 -0.3462 -0.3426 0.7277
1391MeOH O2 4172 0.201 3.302 8.783 -0.3225 0.0425 0.3582
1391MeOH H3 4173 0.192 3.392 8.740 0.0126 0.0018 0.2014
1392MeOH Me1 4174 3.258 0.088 6.525 0.3725 -0.0402 0.2004
1392MeOH O2 4175 3.211 0.180 6.638 0.7065 0.2458 0.1079
1392MeOH H3 4176 3.259 0.154 6.722 2.6799 1.9171 -0.4187
1393MeOH Me1 4177 2.282 1.356 1.589 -0.2720 -0.7749 0.1883
1393MeOH O2 4178 2.421 1.352 1.525 -0.0670 0.1795 0.5478
1393MeOH H3 4179 2.485 1.400 1.584 -0.1747 -1.0755 1.7220
1394MeOH Me1 4180 2.344 2.803 5.002 -0.0761 0.4276 0.0682
1394MeOH O2 4181 2.194 2.828 4.985 -0.0401 0.2647 -0.4938
1394MeOH H3 4182 2.181 2.890 4.908 0.0360 -1.6144 -2.1180
1395MeOH Me1 4183 3.459 4.784 9.699 -0.4543 0.6060 0.8102
1395MeOH O2 4184 3.463 4.681 9.811 -0.4020 -0.3668 -0.0693
1395MeOH H3 4185 3.520 4.604 9.783 -1.1244 -0.5481 -1.1028
1396MeOH Me1 4186 4.250 4.907 0.366 -0.2265 0.3054 -0.0118
1396MeOH O2 4187 4.350 5.009 0.420 -0.1527 -0.0558 0.5422
1396MeOH H3 4188 4.316 5.044 0.507 -0.3237 -0.2103 0.5367
1397MeOH Me1 4189 4.507 3.191 6.657 0.1348 -0.1143 -0.0690
1397MeOH O2 4190 4.483 3.294 6.768 0.2808 -0.1291 -0.0214
1397MeOH H3 4191 4.411 3.356 6.738 0.2904 -0.0765 0.0663
1398MeOH Me1 4192 2.851 3.411 10.006 -0.0376 0.1771 0.1691
1398MeOH O2 4193 2.831 3.303 10.113 0.2464 -0.1126 -0.0674
1398MeOH H3 4194 2.748 3.324 10.165 0.3285 -0.3053 0.1449
1399MeOH Me1 4195 1.310 4.672 9.155 0.0096 -0.3028 -0.6737
1399MeOH O2 4196 1.341 4.790 9.063 -0.3404 -0.0256 -0.4637
1399MeOH H3 4197 1.331 4.874 9.115 1.4116 -0.2381 0.2818
1400MeOH Me1 4198 2.747 4.978 8.199 -0.5037 0.2766 0.3680
1400MeOH O2 4199 2.866 4.993 8.294 -0.0906 -0.0300 -0.0998
1400MeOH H3 4200 2.831 5.018 8.385 0.2631 -0.7606 0.2491
1401MeOH Me1 4201 3.993 4.231 7.722 0.1927 0.0895 -0.7238
1401MeOH O2 4202 3.957 4.091 7.773 -0.5032 0.4559 -0.2011
1401MeOH H3 4203 4.029 4.028 7.744 0.2604 0.3529 1.8154
1402MeOH Me1 4204 3.864 2.009 8.499 -0.7364 -0.2186 0.1141
1402MeOH O2 4205 4.002 2.064 8.535 -0.6339 0.0049 -0.5899
1402MeOH H3 4206 3.994 2.163 8.547 -0.9953 -0.1483 0.5914
1403MeOH Me1 4207 0.805 3.975 10.879 -0.1839 0.0552 -0.4282
1403MeOH O2 4208 0.872 4.090 10.803 0.0227 0.2229 0.0065
1403MeOH H3 4209 0.862 4.174 10.857 -1.3424 0.3910 -0.4585
1404MeOH Me1 4210 4.738 2.840 29.418 -0.4292 -0.6415 -0.3776
1404MeOH O2 4211 4.640 2.897 29.520 0.5264 0.0565 0.1648
1404MeOH H3 4212 4.692 2.944 29.591 1.2614 -0.5001 0.0036
1405MeOH Me1 4213 4.964 1.237 5.139 0.0325 -0.1544 0.0165
1405MeOH O2 4214 4.997 1.271 4.994 -0.1971 -0.2723 -0.0706
1405MeOH H3 4215 5.012 1.370 4.987 -2.9406 0.1963 -0.6861
1406MeOH Me1 4216 3.645 3.309 5.093 -0.6507 -0.1345 -0.0720
1406MeOH O2 4217 3.651 3.284 4.942 -0.4122 0.2420 -0.1273
1406MeOH H3 4218 3.598 3.355 4.896 -0.3828 0.3275 -0.0292
1407MeOH Me1 4219 1.153 4.626 7.249 -0.5463 0.4575 0.2288
1407MeOH O2 4220 1.078 4.700 7.138 0.4755 0.0622 -0.7479
1407MeOH H3 4221 1.012 4.761 7.181 -0.5128 -0.3940 -1.5918
1408MeOH Me1 4222 2.888 3.007 7.751 -0.0039 -0.5260 -0.3014
1408MeOH O2 4223 2.863 3.131 7.665 0.8777 -0.1556 -0.0311
1408MeOH H3 4224 2.792 3.110 7.599 -0.8893 1.1711 1.3562
1409MeOH Me1 4225 1.516 1.232 4.877 -0.1828 0.0440 -0.5237
1409MeOH O2 4226 1.536 1.383 4.860 -0.1002 -0.0117 -0.8731
1409MeOH H3 4227 1.620 1.409 4.906 -0.7462 0.2578 0.1881
1410MeOH Me1 4228 2.684 2.215 4.482 -0.0010 0.3649 -0.4630
1410MeOH O2 4229 2.811 2.291 4.443 0.1220 0.1607 -0.4561
1410MeOH H3 4230 2.847 2.251 4.359 -1.2015 1.5694 -1.7368
1411MeOH Me1 4231 4.105 4.244 9.738 0.3265 -0.3355 -0.4396
1411MeOH O2 4232 4.189 4.368 9.709 0.0236 -0.1199 -0.3971
1411MeOH H3 4233 4.285 4.345 9.721 0.0886 0.0782 -0.5246
1412MeOH Me1 4234 1.772 4.619 2.044 -0.1219 0.1692 -0.6073
1412MeOH O2 4235 1.823 4.587 1.904 -0.0051 -0.9344 -0.3250
1412MeOH H3 4236 1.913 4.629 1.892 -0.5364 0.0372 -1.0015
1413MeOH Me1 4237 0.702 1.967 9.769 0.3229 0.1152 0.1249
1413MeOH O2 4238 0.693 1.862 9.880 0.2485 -0.2151 -0.1910
1413MeOH H3 4239 0.748 1.783 9.853 -0.2890 -0.4240 -0.7023
1414MeOH Me1 4240 0.745 3.380 2.273 0.0393 0.1596 0.7172
1414MeOH O2 4241 0.872 3.297 2.287 -0.3577 -0.5811 0.0362
1414MeOH H3 4242 0.883 3.241 2.205 0.0072 0.9301 -0.9835
1415MeOH Me1 4243 0.698 0.449 9.199 0.1584 -0.1961 0.0658
1415MeOH O2 4244 0.802 0.517 9.109 -0.0020 -0.4781 -0.3352
1415MeOH H3 4245 0.754 0.567 9.037 -0.2051 0.6248 0.5274
1416MeOH Me1 4246 4.225 0.900 4.422 -0.0843 0.2761 0.2853
1416MeOH O2 4247 4.182 1.047 4.423 0.4163 0.4106 -0.0231
1416MeOH H3 4248 4.117 1.060 4.498 -2.2473 -0.0090 -2.0872
1417MeOH Me1 4249 4.458 1.415 6.580 -0.0388 -0.1044 -0.3792
1417MeOH O2 4250 4.580 1.336 6.629 -0.2044 -0.0852 0.0605
1417MeOH H3 4251 4.617 1.383 6.709 -1.5531 -1.0315 1.2972
1418MeOH Me1 4252 0.586 3.230 7.711 0.2627 0.2106 0.2378
1418MeOH O2 4253 0.681 3.119 7.667 0.1939 0.4875 -0.6232
1418MeOH H3 4254 0.770 3.134 7.711 -0.6695 -1.6597 2.1231
1419MeOH Me1 4255 3.179 3.954 0.381 0.3371 -0.0207 -0.4052
1419MeOH O2 4256 3.173 4.102 0.343 -0.0322 0.1004 0.1283
1419MeOH H3 4257 3.179 4.156 0.427 -0.3177 -0.1880 0.3370
1420MeOH Me1 4258 0.657 2.132 10.131 -0.0389 0.1454 0.1972
1420MeOH O2 4259 0.591 2.061 10.249 -0.3670 -0.0165 -0.1044
1420MeOH H3 4260 0.660 2.005 10.295 -0.3662 0.3688 0.3666
1421MeOH Me1 4261 1.809 3.534 10.298 0.0873 0.4681 -0.0514
1421MeOH O2 4262 1.746 3.634 10.201 0.0448 -0.0358 -0.5475
1421MeOH H3 4263 1.725 3.586 10.116 -1.5794 -0.9055 0.2914
1422MeOH Me1 4264 1.761 3.390 1.867 0.0626 0.3192 0.9936
1422MeOH O2 4265 1.812 3.306 1.750 -0.3306 1.2124 0.1618
1422MeOH H3 4266 1.769 3.215 1.755 1.9664 0.1058 1.4346
1423MeOH Me1 4267 1.636 0.473 8.337 -0.0625 -0.0935 0.5362
1423MeOH O2 4268 1.487 0.453 8.366 -0.2731 -0.1023 -0.5153
1423MeOH H3 4269 1.457 0.525 8.429 -0.5658 -0.4931 -0.2072
1424MeOH Me1 4270 2.199 0.545 0.305 -0.4333 0.3628 0.1108
1424MeOH O2 4271 2.165 0.403 0.259 1.0183 -0.2122 0.7395
1424MeOH H3 4272 2.169 0.400 0.159 -0.4232 -0.1830 0.6489
1425MeOH Me1 4273 3.600 1.239 1.115 0.1441 -0.0927 0.5090
1425MeOH O2 4274 3.674 1.107 1.093 0.2203 0.0527 -0.1601
1425MeOH H3 4275 3.610 1.040 1.056 -1.1013 -1.2904 4.0665
1426MeOH Me1 4276 1.828 1.539 6.848 -0.3456 0.1127 -0.1042
1426MeOH O2 4277 1.759 1.531 6.984 0.0977 0.1984 0.1291
1426MeOH H3 4278 1.709 1.616 6.999 -0.4892 -0.0956 -0.1117
1427MeOH Me1 4279 1.571 2.485 0.268 0.3427 0.2472 -0.6790
1427MeOH O2 4280 1.720 2.490 0.304 0.2648 0.1619 -0.3376
1427MeOH H3 4281 1.759 2.574 0.266 0.7163 -0.5372 -1.5015
1428MeOH Me1 4282 3.542 0.725 1.898 -0.1754 -0.3980 0.0406
1428MeOH O2 4283 3.516 0.822 1.783 -0.4724 -0.3289 0.1619
1428MeOH H3 4284 3.582 0.897 1.789 1.4395 -1.7380 -1.5292
1429MeOH Me1 4285 4.908 3.370 4.422 0.2699 0.3261 -0.1624
1429MeOH O2 4286 4.770 3.424 4.384 0.0696 -0.0932 -0.0344
1429MeOH H3 4287 4.746 3.389 4.294 -0.6760 -1.5997 0.7087
1430MeOH Me1 4288 4.119 1.289 0.043 0.0411 0.4351 -0.2743
1430MeOH O2 4289 4.254 1.360 0.039 0.2174 0.1282 0.1108
1430MeOH H3 4290 4.295 1.356 0.130 0.0139 -0.0643 0.1938
1431MeOH Me1 4291 1.617 0.374 29.644 0.1268 0.6146 0.3721
1431MeOH O2 4292 1.699 0.250 29.679 -0.2875 0.0723 -0.5452
1431MeOH H3 4293 1.672 0.219 29.771 1.5899 1.1649 0.4244
1432MeOH Me1 4294 4.983 2.550 0.182 0.1842 0.0068 -0.0599
1432MeOH O2 4295 4.865 2.499 0.266 0.2758 0.2811 0.2498
1432MeOH H3 4296 4.802 2.575 0.281 -1.5458 -0.3976 -2.9981
1433MeOH Me1 4297 3.923 1.888 10.145 0.0974 0.2914 -0.3458
1433MeOH O2 4298 3.961 1.915 10.291 -0.1101 0.3501 -0.3027
1433MeOH H3 4299 3.884 1.960 10.336 -0.5122 -0.4333 -0.1915
1434MeOH Me1 4300 3.095 2.010 5.196 -0.2255 0.3109 -0.0215
1434MeOH O2 4301 3.071 2.128 5.102 0.1990 0.2890 -0.1611
1434MeOH H3 4302 3.114 2.209 5.141 0.9310 0.0745 -0.5078
1435MeOH Me1 4303 0.163 0.650 7.862 -0.3528 -0.6481 0.5297
1435MeOH O2 4304 0.233 0.594 7.738 -0.9478 0.5768 -0.3777
1435MeOH H3 4305 0.167 0.590 7.663 -1.0831 2.2005 -0.3979
1436MeOH Me1 4306 3.929 4.573 6.618 0.2312 -0.0657 -0.4073
1436MeOH O2 4307 3.778 4.599 6.632 0.2916 -0.1026 0.3345
1436MeOH H3 4308 3.740 4.528 6.691 0.2151 -1.4726 -1.2888
1437MeOH Me1 4309 3.298 3.589 3.012 0.3820 -0.0343 0.0660
1437MeOH O2 4310 3.177 3.504 3.051 0.4770 -0.1995 0.0029
1437MeOH H3 4311 3.186 3.414 3.010 0.5182 -0.1188 -0.1639
1438MeOH Me1 4312 3.114 1.362 9.257 -0.2736 -0.5104 -0.0236
1438MeOH O2 4313 3.082 1.507 9.222 0.9236 -0.2590 -0.1057
1438MeOH H3 4314 3.112 1.565 9.297 -0.4779 -0.6734 0.8127
1439MeOH Me1 4315 2.062 2.083 1.288 -0.0722 0.1008 -0.0717
1439MeOH O2 4316 1.918 2.036 1.305 0.1563 -0.5958 -0.0410
1439MeOH H3 4317 1.876 2.089 1.379 -0.3891 -0.0964 -0.6993
1440MeOH Me1 4318 2.139 3.747 2.405 0.2600 0.2229 0.0610
1440MeOH O2 4319 2.011 3.779 2.483 0.3092 0.2400 0.1356
1440MeOH H3 4320 1.934 3.780 2.418 0.2711 0.2475 0.1806
1441MeOH Me1 4321 1.351 0.295 7.600 -0.1829 -0.4482 0.0975
1441MeOH O2 4322 1.451 0.385 7.673 -0.0626 -0.6931 0.2338
1441MeOH H3 4323 1.543 0.354 7.651 -0.0929 -0.5011 -0.1753
1442MeOH Me1 4324 4.523 2.881 7.502 -0.0531 -0.3342 0.3320
1442MeOH O2 4325 4.473 3.023 7.473 0.3045 -0.2824 -0.0472
1442MeOH H3 4326 4.478 3.076 7.558 -2.0396 -0.8176 0.5109
1443MeOH Me1 4327 4.709 4.389 5.324 -0.3697 0.7305 0.1859
1443MeOH O2 4328 4.701 4.238 5.349 -0.0464 0.7616 0.4915
1443MeOH H3 4329 4.657 4.222 5.437 -3.1124 0.7939 -0.8999
1444MeOH Me1 4330 2.095 3.605 0.634 0.0283 -0.2811 -0.5842
1444MeOH O2 4331 2.081 3.740 0.562 -0.2523 -0.0629 -0.1272
1444MeOH H3 4332 2.135 3.736 0.478 -0.8267 0.0806 -0.5089
1445MeOH Me1 4333 2.901 3.222 8.721 0.3354 -0.0687 -0.2748
1445MeOH O2 4334 2.889 3.118 8.833 0.1059 0.0142 -0.2226
1445MeOH H3 4335 2.808 3.061 8.815 -1.1037 1.3509 0.7895
1446MeOH Me1 4336 0.652 4.313 5.542 0.0660 -0.3900 0.1078
1446MeOH O2 4337 0.567 4.436 5.569 0.2950 -0.1281 -0.3542
1446MeOH H3 4338 0.625 4.517 5.561 0.6383 -0.3183 0.1712
1447MeOH Me1 4339 3.170 3.061 2.105 0.3781 -0.0918 0.0006
1447MeOH O2 4340 3.121 3.019 1.967 0.2380 -0.1231 0.0595
1447MeOH H3 4341 3.021 3.016 1.968 0.1982 0.9330 -0.1503
1448MeOH Me1 4342 2.049 4.379 3.764 0.0239 -0.3946 -0.1355
1448MeOH O2 4343 1.990 4.382 3.905 -1.1780 0.3127 -0.6391
1448MeOH H3 4344 1.921 4.310 3.913 -0.4816 -0.3549 -0.5485
1449MeOH Me1 4345 0.729 2.091 10.696 0.1818 -0.0404 0.1952
1449MeOH O2 4346 0.781 2.156 10.568 -0.3614 -0.5007 -0.2638
1449MeOH H3 4347 0.794 2.084 10.499 1.5504 -1.1253 0.6792
1450MeOH Me1 4348 4.592 3.993 6.556 -0.2639 0.1275 -0.4446
1450MeOH O2 4349 4.604 4.123 6.636 0.5374 -0.6394 0.7116
1450MeOH H3 4350 4.560 4.197 6.584 -0.7769 -0.2845 2.2295
1451MeOH Me1 4351 4.444 2.140 7.806 -0.2464 0.2015 -0.2248
1451MeOH O2 4352 4.425 2.022 7.710 0.4276 -0.3407 0.2937
1451MeOH H3 4353 4.502 2.021 7.646 -0.6353 1.1923 -1.1180
1452MeOH Me1 4354 2.997 3.234 1.719 0.0350 -0.0955 -0.0605
1452MeOH O2 4355 3.122 3.322 1.726 0.1978 -0.2895 -0.4955
1452MeOH H3 4356 3.196 3.269 1.768 0.2021 -0.3351 -0.5600
1453MeOH Me1 4357 3.623 1.244 8.706 -0.1237 0.0716 -0.2563
1453MeOH O2 4358 3.688 1.357 8.788 0.4299 -0.0879 -0.4748
1453MeOH H3 4359 3.751 1.316 8.854 0.1825 -0.2745 -0.3537
1454MeOH Me1 4360 2.364 4.260 11.182 -0.5600 -0.4035 0.6191
1454MeOH O2 4361 2.292 4.175 11.077 0.4293 -0.2323 -0.2136
1454MeOH H3 4362 2.346 4.092 11.061 1.1641 0.3182 -0.7027
1455MeOH Me1 4363 4.194 4.223 8.931 -0.2103 0.1041 -0.2129
1455MeOH O2 4364 4.164 4.171 9.072 0.0874 -0.3395 -0.3239
1455MeOH H3 4365 4.246 4.126 9.108 -0.8380 -3.5926 -1.9518
1456MeOH Me1 4366 0.361 1.796 8.032 0.4209 -0.0547 -0.2060
1456MeOH O2 4367 0.271 1.762 8.151 0.3185 -0.5208 -0.4146
1456MeOH H3 4368 0.275 1.663 8.168 0.9052 -0.4784 -0.3109
1457MeOH Me1 4369 1.698 2.035 9.272 -0.1312 0.0166 0.2583
1457MeOH O2 4370 1.686 2.186 9.249 0.2205 0.0392 0.2191
1457MeOH H3 4371 1.658 2.201 9.155 -0.7897 0.0407 0.5158
1458MeOH Me1 4372 0.112 3.947 0.938 0.5602 0.1676 -0.4933
1458MeOH O2 4373 0.113 3.987 0.790 -0.1737 0.0862 -0.5312
1458MeOH H3 4374 0.035 4.047 0.773 0.7215 1.5217 0.2392
1459MeOH Me1 4375 3.903 2.335 0.039 -0.4340 0.1942 -0.1909
1459MeOH O2 4376 3.803 2.245 0.111 0.1305 0.1348 0.5290
1459MeOH H3 4377 3.830 2.239 0.207 0.5442 0.5418 0.4449
1460MeOH Me1 4378 4.330 1.974 9.320 -0.4958 -0.1312 0.5724
1460MeOH O2 4379 4.412 1.874 9.401 -0.2772 -0.2286 0.2342
1460MeOH H3 4380 4.372 1.783 9.390 0.9807 -0.6183 -1.5372
1461MeOH Me1 4381 0.866 3.545 2.981 0.8811 -0.2587 0.1523
1461MeOH O2 4382 0.855 3.568 2.831 0.3094 -0.5408 0.1502
1461MeOH H3 4383 0.860 3.479 2.785 2.2710 -0.4958 0.1753
1462MeOH Me1 4384 4.708 4.893 8.566 -0.6392 -0.0187 -0.1980
1462MeOH O2 4385 4.720 4.751 8.620 0.1882 -0.0496 -0.4595
1462MeOH H3 4386 4.636 4.701 8.598 0.2193 -0.3115 -0.0019
1463MeOH Me1 4387 1.233 3.776 8.448 -0.7965 -0.1645 -0.6225
1463MeOH O2 4388 1.248 3.623 8.447 0.3256 -0.0730 0.3189
1463MeOH H3 4389 1.166 3.584 8.404 0.6567 -0.9330 0.4686
1464MeOH Me1 4390 2.340 2.335 7.343 0.7817 0.2645 0.7080
1464MeOH O2 4391 2.459 2.243 7.318 0.1470 -0.4127 0.1222
1464MeOH H3 4392 2.429 2.148 7.325 -0.2544 -0.2419 0.7596
1465MeOH Me1 4393 3.343 1.046 29.954 0.1463 -0.1128 -0.2074
1465MeOH O2 4394 3.221 1.033 29.863 -0.1333 0.2552 0.1085
1465MeOH H3 4395 3.239 1.084 29.778 -0.8694 1.6111 0.7278
1466MeOH Me1 4396 2.838 3.732 5.627 -0.8109 -0.0138 -0.2395
1466MeOH O2 4397 2.921 3.836 5.550 -0.2130 -0.2469 0.0902
1466MeOH H3 4398 3.015 3.802 5.543 0.1689 0.2771 2.0116
1467MeOH Me1 4399 2.540 1.787 10.119 -0.1133 0.7362 0.3319
1467MeOH O2 4400 2.626 1.897 10.056 0.3767 -0.0648 -0.4292
1467MeOH H3 4401 2.590 1.917 9.965 -0.9115 0.9589 0.2569
1468MeOH Me1 4402 0.149 4.686 4.966 0.3112 0.2262 0.1863
1468MeOH O2 4403 0.191 4.549 5.019 0.1905 0.1592 0.1048
1468MeOH H3 4404 0.157 4.479 4.956 0.2825 0.2267 -0.0202
1469MeOH Me1 4405 2.564 1.913 1.797 -0.2519 -0.5969 0.0721
1469MeOH O2 4406 2.698 1.889 1.727 0.0512 0.6748 0.1884
1469MeOH H3 4407 2.772 1.909 1.791 -0.1823 -3.8769 2.2660
1470MeOH Me1 4408 3.210 3.456 0.445 -0.3529 -0.5400 0.0961
1470MeOH O2 4409 3.065 3.503 0.459 -0.2752 -0.5283 0.9371
1470MeOH H3 4410 3.025 3.509 0.367 -1.5314 -2.7467 1.2620
1471MeOH Me1 4411 4.439 0.127 5.161 -0.0761 -0.1366 0.2378
1471MeOH O2 4412 4.585 0.081 5.143 0.1141 0.4444 0.2915
1471MeOH H3 4413 4.586 0.004 5.080 0.5859 1.2681 -0.7216
1472MeOH Me1 4414 1.010 3.571 4.782 -0.1379 0.8034 -0.0607
1472MeOH O2 4415 0.969 3.424 4.789 0.8882 0.5316 0.4447
1472MeOH H3 4416 0.871 3.419 4.807 1.2277 -0.1157 2.3565
1473MeOH Me1 4417 0.472 2.643 29.887 -0.1281 0.8307 -0.0733
1473MeOH O2 4418 0.408 2.652 30.026 -0.0944 0.2161 -0.0093
1473MeOH H3 4419 0.467 2.709 30.084 0.2957 -0.6146 0.4389
1474MeOH Me1 4420 2.960 0.906 29.289 0.1443 -0.5075 -0.3446
1474MeOH O2 4421 3.068 0.985 29.363 -0.5301 0.1835 -0.0944
1474MeOH H3 4422 3.156 0.965 29.322 -0.2434 0.3854 0.4108
1475MeOH Me1 4423 2.382 2.788 0.366 -0.3811 0.3679 0.6379
1475MeOH O2 4424 2.429 2.736 0.502 0.0849 -0.5276 0.1487
1475MeOH H3 4425 2.438 2.637 0.497 -2.5716 -0.8467 0.2211
1476MeOH Me1 4426 1.490 4.330 9.163 0.2938 -0.5633 0.2706
1476MeOH O2 4427 1.482 4.330 9.316 0.0043 -0.0272 0.2574
1476MeOH H3 4428 1.574 4.315 9.352 -0.0483 0.2020 0.4861
1477MeOH Me1 4429 4.276 3.707 4.151 -0.0114 -0.2741 -0.4242
1477MeOH O2 4430 4.139 3.659 4.201 0.0739 0.0276 0.1033
1477MeOH H3 4431 4.079 3.739 4.209 0.9494 0.5446 2.5978
1478MeOH Me1 4432 0.818 1.398 0.087 0.0092 -0.3565 0.2369
1478MeOH O2 4433 0.846 1.374 0.235 0.7420 -0.2262 0.1251
1478MeOH H3 4434 0.883 1.282 0.246 0.3988 -0.3715 0.0687
1479MeOH Me1 4435 3.371 2.544 4.774 -0.2002 0.1895 -0.6803
1479MeOH O2 4436 3.510 2.515 4.831 -0.1806 0.6696 -0.4768
1479MeOH H3 4437 3.533 2.586 4.898 -1.5299 -0.5328 1.3529
1480MeOH Me1 4438 0.368 3.097 0.381 -0.5938 -0.4745 0.3970
1480MeOH O2 4439 0.270 3.166 0.286 -0.1450 -0.2667 0.0821
1480MeOH H3 4440 0.206 3.097 0.252 0.4717 -0.3513 -0.9638
1481MeOH Me1 4441 0.251 2.553 1.567 -0.1575 0.1345 0.2653
1481MeOH O2 4442 0.346 2.528 1.684 -0.3014 -0.4127 0.2700
1481MeOH H3 4443 0.300 2.557 1.768 -0.4265 -0.8578 0.3576
1482MeOH Me1 4444 3.531 1.508 8.458 0.2753 0.1676 -0.7143
1482MeOH O2 4445 3.388 1.554 8.432 -0.0013 -0.3939 -0.2102
1482MeOH H3 4446 3.358 1.518 8.343 0.0353 -0.0330 -0.3719
1483MeOH Me1 4447 2.057 4.794 4.144 0.0430 0.0445 0.3812
1483MeOH O2 4448 1.906 4.771 4.129 0.1679 -0.2307 -0.4914
1483MeOH H3 4449 1.883 4.777 4.032 0.8751 -1.2582 -0.7454
1484MeOH Me1 4450 2.101 2.980 8.706 0.0456 -0.4780 0.1236
1484MeOH O2 4451 2.206 3.062 8.631 -0.4322 0.0487 0.0270
1484MeOH H3 4452 2.179 3.068 8.535 -0.6466 0.0446 0.0861
1485MeOH Me1 4453 1.361 0.299 7.145 0.1557 -0.1116 -0.0547
1485MeOH O2 4454 1.484 0.384 7.177 0.4091 -0.4518 -0.1148
1485MeOH H3 4455 1.466 0.478 7.149 0.2300 -0.1681 0.9000
1486MeOH Me1 4456 3.116 0.966 4.824 0.3819 -0.0366 0.0709
1486MeOH O2 4457 3.002 1.056 4.777 0.5514 -0.1080 -0.4766
1486MeOH H3 4458 2.987 1.039 4.679 1.6726 0.5834 -0.7826
1487MeOH Me1 4459 0.329 1.852 6.309 -0.2463 -0.2812 0.1041
1487MeOH O2 4460 0.345 1.967 6.409 0.1458 0.1704 -0.4712
1487MeOH H3 4461 0.348 1.928 6.502 0.7034 0.5716 -0.3192
1488MeOH Me1 4462 4.641 4.013 4.239 0.0855 0.5559 -0.1182
1488MeOH O2 4463 4.589 3.940 4.116 -0.1444 0.4398 0.0467
1488MeOH H3 4464 4.530 3.865 4.146 0.6594 -0.1170 0.2449
1489MeOH Me1 4465 3.306 2.833 29.409 0.3907 0.3549 0.4360
1489MeOH O2 4466 3.258 2.720 29.501 -0.3384 0.0204 -0.3370
1489MeOH H3 4467 3.322 2.713 29.578 0.3751 -1.7900 -1.0480
1490MeOH Me1 4468 4.899 0.974 2.714 0.6990 -0.0225 0.4053
1490MeOH O2 4469 4.952 1.091 2.631 0.5276 -0.4694 -0.3488
1490MeOH H3 4470 4.950 1.065 2.535 -2.3036 -0.0109 -0.5023
1491MeOH Me1 4471 3.803 3.814 9.619 0.1411 0.2865 0.9518
1491MeOH O2 4472 3.673 3.890 9.646 -0.0428 0.2805 0.1321
1491MeOH H3 4473 3.636 3.923 9.559 0.1963 -0.2223 -0.1608
1492MeOH Me1 4474 3.512 2.373 2.305 0.1170 -0.2418 0.0280
1492MeOH O2 4475 3.641 2.314 2.363 0.4379 0.1518 -0.2818
1492MeOH H3 4476 3.671 2.239 2.304 0.6288 0.3816 -0.4759
1493MeOH Me1 4477 3.760 2.714 7.433 0.1193 0.3031 -0.7402
1493MeOH O2 4478 3.698 2.602 7.350 -0.4409 -0.1767 0.3017
1493MeOH H3 4479 3.660 2.534 7.412 1.3216 -0.5986 0.9812
1494MeOH Me1 4480 4.506 2.794 6.577 0.6684 0.1072 0.5857
1494MeOH O2 4481 4.652 2.770 6.538 0.1023 -0.4030 -1.3723
1494MeOH H3 4482 4.658 2.686 6.485 -0.8630 -0.5681 -1.2308
1495MeOH Me1 4483 3.516 3.818 10.519 0.2400 0.0999 -0.1295
1495MeOH O2 4484 3.529 3.927 10.413 0.2274 0.2136 -0.0142
1495MeOH H3 4485 3.484 4.010 10.447 -1.4393 -0.3732 -0.6824
1496MeOH Me1 4486 1.662 0.096 9.069 -0.4185 0.1600 -0.1089
1496MeOH O2 4487 1.640 0.053 9.214 -0.1006 0.0624 -0.0893
1496MeOH H3 4488 1.712 -0.012 9.239 0.0809 0.2122 -0.2211
1497MeOH Me1 4489 0.588 1.718 2.405 -0.1161 -0.3828 0.3175
1497MeOH O2 4490 0.685 1.724 2.523 0.0205 -0.2046 0.1943
1497MeOH H3 4491 0.632 1.721 2.608 -0.1565 2.8595 0.3202
1498MeOH Me1 4492 0.820 2.663 3.088 -0.4744 0.1761 -0.0633
1498MeOH O2 4493 0.798 2.556 3.195 0.0567 -0.0568 -0.1831
1498MeOH H3 4494 0.852 2.581 3.276 0.6775 -0.3837 -0.4903
1499MeOH Me1 4495 1.297 0.052 9.282 -0.3336 -0.1489 0.3176
1499MeOH O2 4496 1.218 0.022 9.155 0.1692 -0.0435 -0.0273
1499MeOH H3 4497 1.121 0.041 9.173 -0.0666 -1.1714 -0.0255
1500MeOH Me1 4498 1.908 2.061 4.777 -0.3763 0.1716 0.0390
1500MeOH O2 4499 1.882 2.152 4.898 -0.1186 0.1105 0.1468
1500MeOH H3 4500 1.783 2.168 4.905 -0.0607 0.5691 0.0028
1501MeOH Me1 4501 1.626 2.097 2.017 0.2427 0.4795 -0.3850
1501MeOH O2 4502 1.762 2.127 2.081 0.6158 -0.6625 -0.6146
1501MeOH H3 4503 1.790 2.219 2.052 1.3466 -0.9019 -0.6718
1502MeOH Me1 4504 2.626 0.526 5.613 0.6593 -0.0867 -0.5325
1502MeOH O2 4505 2.543 0.415 5.679 0.3651 0.3765 -0.1155
1502MeOH H3 4506 2.598 0.331 5.680 0.2092 0.2845 0.3934
1503MeOH Me1 4507 3.087 1.925 1.290 -0.0162 -0.1457 0.0234
1503MeOH O2 4508 3.226 1.984 1.311 -0.1521 0.3824 -0.5450
1503MeOH H3 4509 3.242 2.054 1.241 -0.9661 0.9213 -0.1982
1504MeOH Me1 4510 1.280 2.764 4.821 0.0856 -0.0104 -0.3575
1504MeOH O2 4511 1.340 2.888 4.888 -0.1637 -0.0705 -0.0200
1504MeOH H3 4512 1.374 2.949 4.817 1.7121 -0.8126 0.1956
1505MeOH Me1 4513 0.782 3.766 2.407 -0.1081 -0.4479 -0.2302
1505MeOH O2 4514 0.706 3.651 2.473 0.1403 -0.2452 0.4209
1505MeOH H3 4515 0.659 3.686 2.554 1.3869 -0.2410 1.1638
1506MeOH Me1 4516 4.410 0.852 0.224 0.2773 -0.8136 0.0972
1506MeOH O2 4517 4.335 0.786 0.108 -0.1514 -0.0338 -0.0769
1506MeOH H3 4518 4.328 0.687 0.126 -0.3141 -0.1209 -0.5887
1507MeOH Me1 4519 2.139 3.037 -0.028 0.1668 -0.1599 0.0379
1507MeOH O2 4520 2.202 3.174 -0.006 0.1832 -0.2263 0.4148
1507MeOH H3 4521 2.290 3.162 0.040 -0.5652 -0.2510 1.9021
1508MeOH Me1 4522 4.163 2.478 6.477 0.2259 0.5456 0.2782
1508MeOH O2 4523 4.183 2.446 6.625 -0.2768 -0.5445 0.1178
1508MeOH H3 4524 4.093 2.431 6.666 -0.3589 -2.9660 -0.7243
1509MeOH Me1 4525 2.374 2.481 5.283 -0.2641 0.1791 0.4101
1509MeOH O2 4526 2.422 2.500 5.427 0.4241 -0.6319 0.3008
1509MeOH H3 4527 2.475 2.585 5.432 -0.4562 -0.0882 0.7286
1510MeOH Me1 4528 1.054 3.542 2.172 -0.3367 0.6045 -0.1202
1510MeOH O2 4529 1.125 3.452 2.273 -0.7230 0.2187 -0.1907
1510MeOH H3 4530 1.062 3.379 2.301 -0.3383 -0.8196 -1.8790
1511MeOH Me1 4531 0.315 3.527 1.381 0.1437 0.5377 -0.0894
1511MeOH O2 4532 0.333 3.493 1.233 -0.1555 0.1053 -0.0265
1511MeOH H3 4533 0.430 3.483 1.215 -0.0418 1.9087 -0.5997
1512MeOH Me1 4534 4.881 2.606 8.181 0.1082 -0.2563 0.2588
1512MeOH O2 4535 4.781 2.722 8.175 0.1813 -0.2254 -0.4606
1512MeOH H3 4536 4.742 2.726 8.083 -0.6610 -1.4945 -0.1906
1513MeOH Me1 4537 1.308 2.940 0.099 0.2684 -0.8636 0.1188
1513MeOH O2 4538 1.170 2.916 0.159 0.1077 0.3320 0.2557
1513MeOH H3 4539 1.172 2.944 0.255 1.3592 -2.4098 1.1271
1514MeOH Me1 4540 2.932 2.562 6.908 0.8261 0.6156 -0.3854
1514MeOH O2 4541 2.981 2.530 6.767 0.6813 -0.3054 -0.2345
1514MeOH H3 4542 2.926 2.584 6.702 1.3446 0.1200 -0.4546
1515MeOH Me1 4543 2.376 2.730 4.572 -0.1390 -0.1481 -0.2303
1515MeOH O2 4544 2.453 2.782 4.451 0.2954 -0.1002 0.0646
1515MeOH H3 4545 2.512 2.709 4.417 1.6298 0.4025 1.2126
1516MeOH Me1 4546 1.111 4.121 8.889 0.4358 -0.2631 -0.2227
1516MeOH O2 4547 1.037 4.015 8.971 -0.4470 0.3368 -0.2337
1516MeOH H3 4548 1.064 3.924 8.938 0.1556 0.0780 0.9112
1517MeOH Me1 4549 4.335 3.407 1.948 0.3001 -0.4908 0.4106
1517MeOH O2 4550 4.320 3.551 1.899 0.1350 -0.5536 0.2321
1517MeOH H3 4551 4.395 3.572 1.836 -1.0327 -1.2361 -1.4580
1518MeOH Me1 4552 2.217 0.264 2.951 0.3338 -0.1366 -0.4131
1518MeOH O2 4553 2.206 0.157 3.060 -0.5736 -0.3262 -0.6793
1518MeOH H3 4554 2.292 0.154 3.110 -1.2013 0.0397 0.4587
1519MeOH Me1 4555 0.580 1.728 10.283 -0.2973 0.0968 -0.0398
1519MeOH O2 4556 0.667 1.718 10.408 0.0939 -0.4229 -0.3506
1519MeOH H3 4557 0.611 1.682 10.483 0.6521 -1.9800 -0.6361
1520MeOH Me1 4558 2.337 0.863 3.054 0.4194 -0.4514 -0.4230
1520MeOH O2 4559 2.469 0.816 3.114 0.3161 -0.5262 -0.2530
1520MeOH H3 4560 2.453 0.786 3.208 0.1874 -0.4798 -0.2610
1521MeOH Me1 4561 4.974 1.936 29.806 0.3396 -0.3384 0.3913
1521MeOH O2 4562 5.037 1.866 29.685 0.1975 0.0192 0.1088
1521MeOH H3 4563 4.971 1.801 29.648 -0.7039 1.6840 -1.3678
1522MeOH Me1 4564 3.418 3.545 0.729 0.3442 -0.0363 -0.3687
1522MeOH O2 4565 3.322 3.661 0.757 0.5493 0.0943 -0.2055
1522MeOH H3 4566 3.229 3.624 0.766 0.5839 0.1570 0.4455
1523MeOH Me1 4567 2.615 0.424 8.384 0.2228 -0.3144 -0.1662
1523MeOH O2 4568 2.582 0.574 8.387 0.1549 -0.3325 -0.0872
1523MeOH H3 4569 2.541 0.595 8.476 -1.3854 -0.7149 -0.6777
1524MeOH Me1 4570 0.966 1.694 9.865 0.0533 -0.4553 0.0445
1524MeOH O2 4571 0.833 1.658 9.799 -0.0674 -0.0629 0.0689
1524MeOH H3 4572 0.822 1.559 9.802 -0.8843 0.0430 1.0713
1525MeOH Me1 4573 3.201 2.121 9.442 0.3248 -0.0233 -0.0373
1525MeOH O2 4574 3.255 2.260 9.409 0.3504 0.0629 0.3536
1525MeOH H3 4575 3.354 2.257 9.412 0.3539 -0.0018 0.2030
1526MeOH Me1 4576 4.414 1.728 0.336 0.4071 -0.1976 -0.2766
1526MeOH O2 4577 4.439 1.828 0.223 0.0152 0.0516 -0.1436
1526MeOH H3 4578 4.350 1.857 0.186 -0.0880 -0.5504 -0.3723
1527MeOH Me1 4579 0.683 2.741 10.322 0.2045 -0.1157 -0.4449
1527MeOH O2 4580 0.619 2.822 10.209 -0.3793 -0.5555 -0.4376
1527MeOH H3 4581 0.541 2.772 10.174 -0.9597 -0.4012 0.5948
1528MeOH Me1 4582 3.480 2.948 3.704 0.0229 0.2159 -0.0999
1528MeOH O2 4583 3.591 2.872 3.777 -0.2833 0.6967 0.8483
1528MeOH H3 4584 3.674 2.927 3.775 0.3254 -0.1926 -1.0466
1529MeOH Me1 4585 4.953 3.224 7.228 -0.1133 -0.3526 0.5232
1529MeOH O2 4586 4.803 3.251 7.213 -0.1080 -0.3905 0.3923
1529MeOH H3 4587 4.762 3.176 7.161 0.0282 -0.2361 0.0558
1530MeOH Me1 4588 1.916 1.764 1.615 0.0273 -0.1608 0.0450
1530MeOH O2 4589 1.854 1.786 1.754 0.3459 0.2523 0.1236
1530MeOH H3 4590 1.755 1.773 1.747 0.4815 -1.2823 0.6881
1531MeOH Me1 4591 3.613 4.505 0.231 -0.1224 -0.2738 -0.0357
1531MeOH O2 4592 3.590 4.355 0.251 -0.2113 -0.3144 -0.4455
1531MeOH H3 4593 3.502 4.330 0.209 -0.5586 -0.0149 0.0979
1532MeOH Me1 4594 3.231 0.384 3.424 0.1557 0.2827 -0.1327
1532MeOH O2 4595 3.099 0.315 3.456 -0.0457 0.5032 -0.4663
1532MeOH H3 4596 3.046 0.305 3.372 0.9824 -1.1860 -0.9635
1533MeOH Me1 4597 3.556 0.491 3.858 -0.2429 0.7941 0.2546
1533MeOH O2 4598 3.589 0.342 3.848 0.0018 0.8662 -0.0445
1533MeOH H3 4599 3.524 0.291 3.905 0.2716 0.6708 0.0918
1534MeOH Me1 4600 2.081 2.273 5.359 0.0241 -0.2593 -0.0390
1534MeOH O2 4601 2.182 2.163 5.394 0.2361 -0.1830 -0.4129
1534MeOH H3 4602 2.269 2.206 5.416 0.1383 -0.0846 -0.2130
1535MeOH Me1 4603 4.890 1.339 8.716 0.1038 0.3524 0.4504
1535MeOH O2 4604 4.899 1.202 8.784 -0.3654 0.1421 0.1006
1535MeOH H3 4605 4.860 1.133 8.723 -0.5287 0.4191 -0.1108
1536MeOH Me1 4606 0.265 2.956 7.305 0.0819 0.6225 0.1247
1536MeOH O2 4607 0.335 2.865 7.203 -0.5388 0.0058 0.2513
1536MeOH H3 4608 0.407 2.814 7.250 -0.7778 -0.3079 0.2811
1537MeOH Me1 4609 1.854 1.353 8.723 0.1694 -0.1708 0.1572
1537MeOH O2 4610 1.815 1.208 8.752 0.3177 -0.1171 0.6352
1537MeOH H3 4611 1.716 1.200 8.748 0.3344 -0.2682 0.4781
1538MeOH Me1 4612 2.290 0.146 5.281 -0.0804 -0.1973 0.0747
1538MeOH O2 4613 2.372 0.139 5.409 0.5873 0.2314 -0.3233
1538MeOH H3 4614 2.351 0.218 5.466 -0.6762 -0.6021 0.4346
1539MeOH Me1 4615 1.536 1.610 1.761 0.0432 0.0565 0.7560
1539MeOH O2 4616 1.589 1.753 1.753 0.1643 -0.0323 -0.1388
1539MeOH H3 4617 1.517 1.816 1.784 0.4678 0.1616 0.1823
1540MeOH Me1 4618 0.758 0.924 2.558 0.1305 0.0356 -0.0447
1540MeOH O2 4619 0.895 0.974 2.512 0.3348 -0.7251 -0.2840
1540MeOH H3 4620 0.935 1.029 2.585 -0.4837 1.4479 -1.3979
1541MeOH Me1 4621 2.360 2.788 8.415 0.0612 -0.4612 0.2716
1541MeOH O2 4622 2.412 2.645 8.434 -0.4037 -0.6893 -0.1361
1541MeOH H3 4623 2.485 2.629 8.367 -1.7289 -1.3958 -1.4815
1542MeOH Me1 4624 0.971 0.318 0.039 -0.2667 0.5097 0.0489
1542MeOH O2 4625 0.988 0.456 0.103 -0.3946 0.4039 0.3138
1542MeOH H3 4626 0.975 0.526 0.032 -0.1032 0.5184 0.3700
1543MeOH Me1 4627 3.365 0.975 1.045 -0.4862 -0.0724 -0.2204
1543MeOH O2 4628 3.496 0.914 0.994 -0.2761 -0.5205 0.8195
1543MeOH H3 4629 3.490 0.814 1.004 -0.1981 -0.4214 1.9087
1544MeOH Me1 4630 1.317 0.414 0.191 -0.1982 0.3992 0.2810
1544MeOH O2 4631 1.203 0.495 0.253 -0.1570 0.5582 0.1473
1544MeOH H3 4632 1.121 0.482 0.197 -0.1067 0.6865 0.0412
1545MeOH Me1 4633 3.412 0.231 7.929 0.4903 0.2365 0.7869
1545MeOH O2 4634 3.543 0.153 7.919 0.1837 -0.2827 0.7924
1545MeOH H3 4635 3.564 0.115 8.009 -0.4148 -1.1216 0.5857
1546MeOH Me1 4636 3.132 2.980 7.363 0.7251 0.2491 0.1954
1546MeOH O2 4637 3.258 2.912 7.415 0.4597 -0.2886 0.1412
1546MeOH H3 4638 3.290 2.847 7.345 0.8686 0.5027 -0.4171
1547MeOH Me1 4639 4.305 3.901 2.698 0.2057 -0.7195 0.3103
1547MeOH O2 4640 4.455 3.883 2.674 0.2798 0.6217 -0.3202
1547MeOH H3 4641 4.505 3.952 2.728 -0.0237 -0.3008 1.1913
1548MeOH Me1 4642 1.458 4.755 0.109 -0.1491 -0.5366 0.3852
1548MeOH O2 4643 1.557 4.725 0.222 0.4212 -0.3554 -0.0759
1548MeOH H3 4644 1.648 4.756 0.194 0.1798 0.1302 -0.3317
1549MeOH Me1 4645 4.287 0.545 10.094 0.2097 -0.3222 0.2716
1549MeOH O2 4646 4.298 0.545 9.942 0.0078 -0.0487 0.2489
1549MeOH H3 4647 4.215 0.586 9.904 -0.6755 -1.2564 0.3951
1550MeOH Me1 4648 4.714 2.429 7.126 -0.7253 -0.0991 -0.1054
1550MeOH O2 4649 4.630 2.492 7.238 0.1160 0.5000 0.2006
1550MeOH H3 4650 4.537 2.505 7.204 0.4413 2.6126 0.0118
1551MeOH Me1 4651 3.939 2.930 5.088 0.2122 0.9873 -0.1422
1551MeOH O2 4652 4.050 2.988 4.999 0.6895 -0.2926 -0.3949
1551MeOH H3 4653 4.025 3.081 4.975 1.6897 -0.0167 -0.3860
1552MeOH Me1 4654 4.888 2.571 25.142 -0.1046 -0.3736 0.2799
1552MeOH O2 4655 4.790 2.456 25.118 -0.2796 -0.2395 0.2887
1552MeOH H3 4656 4.780 2.443 25.020 0.1245 -0.5853 0.2950
1553MeOH Me1 4657 4.769 0.333 5.297 0.6578 -0.1603 -0.1770
1553MeOH O2 4658 4.771 0.288 5.150 -0.2137 -0.3377 -0.1430
1553MeOH H3 4659 4.716 0.205 5.142 1.5409 -1.6630 0.7335
1554MeOH Me1 4660 0.405 0.832 9.323 -0.1127 0.3693 -0.0336
1554MeOH O2 4661 0.326 0.876 9.200 -0.2567 -0.1761 -0.1383
1554MeOH H3 4662 0.288 0.967 9.217 0.3885 0.2274 -0.7736
1555MeOH Me1 4663 0.925 2.477 4.926 0.0036 -0.5353 -0.1973
1555MeOH O2 4664 0.823 2.408 4.836 -0.3650 -0.2510 0.0001
1555MeOH H3 4665 0.756 2.476 4.806 -1.2860 -0.4107 1.5796
1556MeOH Me1 4666 0.157 4.553 4.056 0.6916 0.2391 -0.4065
1556MeOH O2 4667 0.282 4.477 4.101 0.4041 0.2068 0.3519
1556MeOH H3 4668 0.275 4.383 4.068 -0.0983 -0.1871 1.5256
1557MeOH Me1 4669 1.088 3.368 9.087 0.4174 0.5435 -0.1860
1557MeOH O2 4670 1.131 3.459 9.203 -0.0208 0.2534 0.2117
1557MeOH H3 4671 1.055 3.468 9.267 -0.0079 -0.5305 0.3414
1558MeOH Me1 4672 3.526 2.388 5.615 -0.1024 -0.0669 -0.0394
1558MeOH O2 4673 3.582 2.284 5.517 0.1740 0.2018 -0.1710
1558MeOH H3 4674 3.590 2.326 5.427 -0.5623 0.1466 -0.2678
1559MeOH Me1 4675 3.434 0.435 9.098 1.2172 -0.4872 -0.3784
1559MeOH O2 4676 3.383 0.372 8.969 0.1234 0.2682 -0.3276
1559MeOH H3 4677 3.439 0.405 8.893 1.1524 -1.2232 -0.2748
1560MeOH Me1 4678 2.882 4.122 7.203 -0.2753 -0.1330 0.1462
1560MeOH O2 4679 2.847 4.035 7.323 -0.3438 -0.3353 -0.0222
1560MeOH H3 4680 2.755 4.060 7.355 0.7277 1.6514 1.7360
1561MeOH Me1 4681 4.336 4.034 4.757 -0.5529 -0.0594 0.0147
1561MeOH O2 4682 4.270 3.897 4.769 0.2392 -0.4607 -0.1466
1561MeOH H3 4683 4.328 3.839 4.826 0.2593 0.0079 0.3215
1562MeOH Me1 4684 0.644 4.567 3.347 -0.1013 0.0530 -0.4309
1562MeOH O2 4685 0.497 4.525 3.336 -0.2912 0.4707 0.4485
1562MeOH H3 4686 0.446 4.599 3.291 -0.5298 0.9701 1.5157
1563MeOH Me1 4687 1.214 2.072 4.345 0.3695 -0.0673 -0.2348
1563MeOH O2 4688 1.137 2.158 4.245 0.5828 -0.0354 -0.3713
1563MeOH H3 4689 1.171 2.251 4.250 -0.2359 0.2298 0.5826
1564MeOH Me1 4690 1.489 1.035 5.549 0.0417 -0.2483 0.5977
1564MeOH O2 4691 1.636 1.010 5.585 0.3321 0.3961 -0.0937
1564MeOH H3 4692 1.645 1.015 5.685 0.6126 -0.4043 -0.0737
1565MeOH Me1 4693 0.235 0.516 2.912 0.6982 0.3699 -0.3008
1565MeOH O2 4694 0.309 0.387 2.949 0.0001 0.0677 0.0615
1565MeOH H3 4695 0.306 0.326 2.870 -0.8350 -0.3781 0.4306
1566MeOH Me1 4696 3.815 1.035 7.226 0.2552 0.7463 0.2930
1566MeOH O2 4697 3.703 1.032 7.121 0.4477 0.2068 0.0992
1566MeOH H3 4698 3.735 0.979 7.043 0.6022 -0.1811 0.4203
1567MeOH Me1 4699 0.158 1.115 3.559 1.0796 -0.8244 -0.4618
1567MeOH O2 4700 0.201 1.243 3.487 0.0852 -0.1033 0.2034
1567MeOH H3 4701 0.135 1.315 3.509 0.1292 -0.4259 1.4772
1568MeOH Me1 4702 4.942 4.202 5.626 -0.2202 -0.0776 0.2304
1568MeOH O2 4703 4.916 4.097 5.518 0.0641 -0.0109 0.1162
1568MeOH H3 4704 4.868 4.141 5.441 -0.7863 -0.2190 0.5112
1569MeOH Me1 4705 0.473 4.855 2.035 -0.4164 0.3395 -0.0924
1569MeOH O2 4706 0.515 4.999 2.063 -0.5912 0.3951 -0.1172
1569MeOH H3 4707 0.460 5.034 2.139 -0.8142 0.4277 -0.2908
1570MeOH Me1 4708 3.637 4.117 5.618 0.0073 -0.4062 0.4079
1570MeOH O2 4709 3.592 4.170 5.754 -0.3979 -0.0281 0.1323
1570MeOH H3 4710 3.651 4.130 5.825 -1.5146 -0.9998 0.5619
1571MeOH Me1 4711 2.034 0.094 4.858 0.0377 -0.4323 0.1963
1571MeOH O2 4712 2.032 -0.009 4.971 0.0104 -0.4007 0.2245
1571MeOH H3 4713 1.948 0.004 5.024 1.1082 1.1739 1.6653
1572MeOH Me1 4714 1.898 4.469 10.235 0.3774 -0.1245 0.0721
1572MeOH O2 4715 1.793 4.387 10.310 -0.1904 0.1633 -0.4041
1572MeOH H3 4716 1.762 4.313 10.250 1.2729 -0.9084 0.1167
1573MeOH Me1 4717 1.102 2.729 10.693 0.0629 -0.2323 0.0388
1573MeOH O2 4718 1.228 2.642 10.703 -0.0913 -0.4642 -0.0127
1573MeOH H3 4719 1.222 2.570 10.633 0.2638 0.2325 -0.7752
1574MeOH Me1 4720 3.768 3.269 1.255 -0.0484 0.4283 0.5754
1574MeOH O2 4721 3.675 3.258 1.376 -0.5684 0.3343 0.1693
1574MeOH H3 4722 3.656 3.350 1.411 1.0983 0.2159 1.5262
1575MeOH Me1 4723 3.897 2.383 4.469 0.5254 -0.4039 0.0550
1575MeOH O2 4724 3.965 2.414 4.335 -0.3829 -0.5471 -0.4479
1575MeOH H3 4725 3.895 2.445 4.271 -0.7913 -0.3956 0.0603
1576MeOH Me1 4726 0.918 4.518 1.265 -0.1417 0.4910 -0.2940
1576MeOH O2 4727 0.884 4.635 1.172 0.1539 0.4726 -0.4278
1576MeOH H3 4728 0.827 4.600 1.098 2.0521 0.0466 -1.7486
1577MeOH Me1 4729 3.229 3.681 4.420 -0.3296 -0.1895 0.4415
1577MeOH O2 4730 3.107 3.600 4.375 -0.4338 0.4229 -0.4045
1577MeOH H3 4731 3.026 3.656 4.385 -0.3217 0.5381 -0.1432
1578MeOH Me1 4732 0.369 0.013 0.612 0.2621 -0.0260 0.2013
1578MeOH O2 4733 0.260 -0.029 0.711 -0.1671 -0.0549 -0.2772
1578MeOH H3 4734 0.179 0.028 0.696 0.0690 0.2825 -0.2834
1579MeOH Me1 4735 1.667 0.510 4.294 0.0466 0.3119 -0.2792
1579MeOH O2 4736 1.642 0.660 4.278 -0.2215 0.3474 0.4320
1579MeOH H3 4737 1.668 0.687 4.186 2.8823 1.4771 1.5340
1580MeOH Me1 4738 2.811 0.201 5.753 -0.7447 -0.4407 -0.1474
1580MeOH O2 4739 2.661 0.174 5.734 -0.8818 0.3108 -0.1908
1580MeOH H3 4740 2.651 0.094 5.675 -1.2650 0.3917 -0.2331
1581MeOH Me1 4741 0.858 4.075 5.354 0.5326 0.0690 -0.0985
1581MeOH O2 4742 0.969 4.176 5.385 0.6984 -0.1652 0.0735
1581MeOH H3 4743 0.998 4.162 5.480 0.5187 -0.2250 0.1219
1582MeOH Me1 4744 3.188 3.146 10.590 -0.0995 -0.2970 -0.2031
1582MeOH O2 4745 3.222 3.230 10.467 0.3721 -0.4923 -0.2067
1582MeOH H3 4746 3.166 3.200 10.390 1.0436 -0.9878 -0.5174
1583MeOH Me1 4747 0.658 1.743 3.420 -0.5827 -0.3069 0.0405
1583MeOH O2 4748 0.640 1.879 3.487 0.2709 -0.1091 -0.1199
1583MeOH H3 4749 0.616 1.865 3.583 -0.1812 0.1449 -0.1906
1584MeOH Me1 4750 0.104 2.479 7.074 0.2599 -0.2619 0.4473
1584MeOH O2 4751 0.112 2.330 7.109 0.0188 -0.5056 -0.5099
1584MeOH H3 4752 0.174 2.319 7.187 -0.6580 -1.0155 -0.0352
1585MeOH Me1 4753 2.157 2.444 4.119 -0.5339 0.2638 0.5598
1585MeOH O2 4754 2.063 2.370 4.024 0.0333 -0.1143 0.3058
1585MeOH H3 4755 2.105 2.283 3.998 -0.2468 -0.6785 1.6794
1586MeOH Me1 4756 1.216 1.595 2.618 -0.1499 -0.2049 0.0385
1586MeOH O2 4757 1.281 1.480 2.540 -0.4823 -0.4312 0.0900
1586MeOH H3 4758 1.240 1.476 2.449 1.5148 1.5551 -0.9977
1587MeOH Me1 4759 4.872 2.435 0.592 0.0915 0.2313 -0.1527
1587MeOH O2 4760 5.006 2.494 0.638 0.2563 -0.1321 -0.1674
1587MeOH H3 4761 5.080 2.441 0.596 0.1092 0.0834 -0.7028
1588MeOH Me1 4762 1.462 1.854 29.312 0.2728 -0.1583 -0.0288
1588MeOH O2 4763 1.555 1.940 29.398 0.2409 -0.0389 -0.1135
1588MeOH H3 4764 1.622 1.880 29.442 0.3926 0.0520 -0.2158
1589MeOH Me1 4765 2.069 2.679 29.556 0.0801 -0.1487 -0.3574
1589MeOH O2 4766 2.164 2.798 29.537 -0.1043 0.0742 0.1140
1589MeOH H3 4767 2.114 2.882 29.558 -0.5002 -0.0288 -0.4017
1590MeOH Me1 4768 2.098 4.475 2.366 -0.2585 -0.4690 0.2534
1590MeOH O2 4769 2.157 4.337 2.339 0.1601 -0.2962 0.2555
1590MeOH H3 4770 2.150 4.318 2.241 -0.1295 -0.4848 0.3116
1591MeOH Me1 4771 0.099 4.104 7.667 -0.1529 0.1591 -0.6025
1591MeOH O2 4772 0.227 4.021 7.675 -0.2966 0.0171 0.4448
1591MeOH H3 4773 0.210 3.941 7.732 -0.7521 0.2057 0.5759
1592MeOH Me1 4774 2.672 3.017 5.193 -0.0844 0.1579 0.3266
1592MeOH O2 4775 2.568 2.915 5.239 0.0583 0.0229 0.3480
1592MeOH H3 4776 2.487 2.964 5.270 -0.2281 -0.0823 -0.2097
1593MeOH Me1 4777 3.547 4.602 1.476 -0.7056 0.4754 0.6353
1593MeOH O2 4778 3.566 4.623 1.627 0.2520 1.0693 0.4391
1593MeOH H3 4779 3.648 4.573 1.656 -0.3534 0.0086 0.3774
1594MeOH Me1 4780 1.033 0.861 0.795 0.4241 -0.3325 0.6919
1594MeOH O2 4781 1.027 0.757 0.907 -0.0947 0.0078 0.9849
1594MeOH H3 4782 0.988 0.800 0.988 -1.1405 0.0667 0.4650
1595MeOH Me1 4783 2.285 0.997 1.311 0.0735 0.1609 0.5731
1595MeOH O2 4784 2.360 0.893 1.227 -0.0833 -0.0978 0.7555
1595MeOH H3 4785 2.293 0.844 1.171 -0.0014 0.8431 -0.1841
1596MeOH Me1 4786 2.863 3.106 5.516 0.3717 0.5529 -0.5363
1596MeOH O2 4787 2.956 2.989 5.484 -0.1341 0.0927 -0.3258
1596MeOH H3 4788 3.049 3.013 5.510 -0.2210 -0.7518 0.8278
1597MeOH Me1 4789 0.031 4.142 9.601 0.1064 0.2736 0.2829
1597MeOH O2 4790 0.107 4.274 9.589 -0.5809 0.6955 0.4969
1597MeOH H3 4791 0.045 4.344 9.553 -0.4000 -0.0745 -1.4063
1598MeOH Me1 4792 4.945 4.473 7.256 0.4604 0.0328 0.7608
1598MeOH O2 4793 5.049 4.405 7.167 -0.2881 0.0032 -0.1073
1598MeOH H3 4794 5.028 4.307 7.162 0.6412 -0.3087 1.5181
1599MeOH Me1 4795 1.250 3.059 10.623 0.0811 -0.3571 0.1163
1599MeOH O2 4796 1.238 2.972 10.498 -0.4236 -0.7051 0.4073
1599MeOH H3 4797 1.310 2.902 10.501 -0.0203 -0.3143 0.0109
1600MeOH Me1 4798 3.287 4.428 10.826 0.2661 1.0127 0.2519
1600MeOH O2 4799 3.390 4.435 10.939 0.3375 -0.1119 0.2648
1600MeOH H3 4800 3.454 4.509 10.919 0.2101 0.2216 1.0545
1601MeOH Me1 4801 2.769 0.946 3.976 -0.0871 0.0321 -0.0718
1601MeOH O2 4802 2.895 0.902 4.050 0.4647 0.2622 -0.8655
1601MeOH H3 4803 2.937 0.826 3.999 0.4133 0.4881 -1.2498
1602MeOH Me1 4804 2.337 2.890 9.387 0.1886 -0.3189 -0.5213
1602MeOH O2 4805 2.287 3.008 9.303 0.2714 0.2682 0.2366
1602MeOH H3 4806 2.207 2.977 9.250 0.8142 0.3851 -0.6745
1603MeOH Me1 4807 2.492 4.148 5.517 0.0577 -0.7184 0.5092
1603MeOH O2 4808 2.357 4.184 5.580 0.2936 0.3538 0.4091
1603MeOH H3 4809 2.294 4.108 5.566 -1.0595 1.7647 -1.7104
1604MeOH Me1 4810 0.533 4.334 0.138 0.4922 0.3595 0.2555
1604MeOH O2 4811 0.474 4.258 0.019 0.5144 0.6373 0.0681
1604MeOH H3 4812 0.378 4.238 0.038 0.6434 0.1523 0.2190
1605MeOH Me1 4813 4.885 4.085 7.022 -0.5690 0.0200 0.0215
1605MeOH O2 4814 4.981 4.131 7.133 -0.0956 -0.5378 -0.1523
1605MeOH H3 4815 4.927 4.159 7.212 0.0333 2.1863 -0.9233
1606MeOH Me1 4816 3.301 2.318 10.858 -0.3192 0.2941 0.4114
1606MeOH O2 4817 3.179 2.252 10.792 0.0446 -0.2369 0.2594
1606MeOH H3 4818 3.124 2.324 10.750 1.3116 -0.7270 -2.4362
1607MeOH Me1 4819 1.253 3.805 6.019 -0.0747 0.0931 0.1900
1607MeOH O2 4820 1.211 3.872 6.150 0.2768 0.0768 0.3118
1607MeOH H3 4821 1.252 3.822 6.226 0.3174 -0.0536 0.2049
1608MeOH Me1 4822 4.757 3.586 4.040 0.0749 0.1529 -0.2065
1608MeOH O2 4823 4.792 3.443 4.080 0.4415 0.3558 0.2079
1608MeOH H3 4824 4.891 3.438 4.096 0.6627 0.3611 -1.0345
1609MeOH Me1 4825 1.420 0.862 2.529 -0.3445 0.0780 -0.3629
1609MeOH O2 4826 1.366 0.777 2.644 -0.3108 0.1308 -0.3088
1609MeOH H3 4827 1.340 0.687 2.608 0.2824 -0.1104 -0.1364
1610MeOH Me1 4828 1.706 0.989 4.242 -0.2512 -0.1696 -0.4504
1610MeOH O2 4829 1.855 0.963 4.218 -0.2018 -0.0572 -0.2620
1610MeOH H3 4830 1.894 0.927 4.303 -0.1211 0.6681 0.0208
1611MeOH Me1 4831 0.401 4.199 6.588 0.4454 0.5105 -0.0263
1611MeOH O2 4832 0.459 4.057 6.588 0.2774 0.4396 0.3094
1611MeOH H3 4833 0.406 4.002 6.524 0.7110 0.5608 -0.1623
1612MeOH Me1 4834 3.985 2.384 7.726 -0.1596 0.3651 0.0011
1612MeOH O2 4835 3.893 2.435 7.837 -0.2584 0.4450 -0.1162
1612MeOH H3 4836 3.876 2.359 7.901 -0.0369 0.5839 0.1087
1613MeOH Me1 4837 2.302 3.585 10.670 0.2759 0.6397 0.5095
1613MeOH O2 4838 2.451 3.553 10.686 0.0552 -0.6345 0.1455
1613MeOH H3 4839 2.503 3.615 10.628 0.4701 -0.5673 0.5853
1614MeOH Me1 4840 2.391 2.997 3.591 0.0877 0.5850 -0.5030
1614MeOH O2 4841 2.395 3.094 3.472 0.2887 0.8641 -0.2765
1614MeOH H3 4842 2.302 3.103 3.436 0.3557 0.8715 -0.4486
1615MeOH Me1 4843 1.717 2.062 1.561 -0.4507 0.4367 -0.3084
1615MeOH O2 4844 1.811 2.176 1.518 -0.4829 0.5172 -0.1637
1615MeOH H3 4845 1.885 2.182 1.585 0.2123 -0.3738 -0.8228
1616MeOH Me1 4846 4.214 3.772 9.314 -0.2509 -0.2880 0.1812
1616MeOH O2 4847 4.125 3.724 9.200 -0.0890 0.3521 -0.2214
1616MeOH H3 4848 4.077 3.802 9.161 1.7001 0.9424 -1.3740
1617MeOH Me1 4849 1.579 3.845 1.720 -0.1977 0.0890 0.1657
1617MeOH O2 4850 1.611 3.717 1.797 -0.4777 -0.1758 -0.1579
1617MeOH H3 4851 1.550 3.710 1.875 -0.3612 -0.1387 -0.0632
1618MeOH Me1 4852 3.531 1.417 6.671 -0.4439 -0.5360 -0.2028
1618MeOH O2 4853 3.629 1.300 6.672 -0.2962 -0.4150 0.8403
1618MeOH H3 4854 3.582 1.219 6.635 0.4736 -0.2290 -0.6210
1619MeOH Me1 4855 1.633 2.821 1.194 -0.3895 -0.7136 -0.3789
1619MeOH O2 4856 1.760 2.805 1.278 -0.0527 0.2049 -0.6986
1619MeOH H3 4857 1.780 2.707 1.286 -0.2918 0.2429 0.6709
1620MeOH Me1 4858 4.497 1.723 7.646 0.8665 -0.2809 0.3707
1620MeOH O2 4859 4.431 1.642 7.534 0.3525 -0.1790 0.5941
1620MeOH H3 4860 4.413 1.550 7.568 2.6016 -0.9414 -0.0784
1621MeOH Me1 4861 2.180 3.325 2.088 -0.0342 0.2807 -0.0991
1621MeOH O2 4862 2.156 3.180 2.132 0.2123 0.0618 -0.6843
1621MeOH H3 4863 2.060 3.157 2.116 0.1808 0.0596 -0.4904
1622MeOH Me1 4864 3.029 3.151 8.262 -0.4270 0.3252 0.0461
1622MeOH O2 4865 2.893 3.090 8.229 -0.1542 0.0247 -0.5509
1622MeOH H3 4866 2.843 3.076 8.315 -0.5995 0.1587 -0.7842
1623MeOH Me1 4867 4.660 0.224 7.095 -0.5503 -0.2784 0.2072
1623MeOH O2 4868 4.684 0.355 7.169 -0.2805 0.1627 -0.6492
1623MeOH H3 4869 4.611 0.419 7.146 0.8534 0.8685 -2.5863
1624MeOH Me1 4870 4.612 2.173 7.412 0.3191 -0.1245 0.2702
1624MeOH O2 4871 4.638 2.097 7.542 -0.0860 -0.2665 0.2708
1624MeOH H3 4872 4.730 2.056 7.538 0.1007 0.0986 0.6836
1625MeOH Me1 4873 4.242 1.344 3.191 -0.2936 0.0007 0.1664
1625MeOH O2 4874 4.263 1.409 3.054 0.0329 -0.1210 0.1543
1625MeOH H3 4875 4.239 1.342 2.984 3.4448 -1.4140 0.0243
1626MeOH Me1 4876 0.193 4.710 6.314 0.7041 0.3926 -0.0966
1626MeOH O2 4877 0.218 4.596 6.412 0.6332 0.5163 0.0742
1626MeOH H3 4878 0.145 4.528 6.402 -0.1221 1.1590 1.0425
1627MeOH Me1 4879 4.387 2.151 6.191 -0.8090 0.1389 -0.7097
1627MeOH O2 4880 4.417 2.258 6.296 0.0801 -0.1804 -0.6287
1627MeOH H3 4881 4.348 2.251 6.369 0.3170 0.0132 -0.3832
1628MeOH Me1 4882 4.356 0.001 1.525 0.0214 -0.4690 0.2307
1628MeOH O2 4883 4.498 0.049 1.555 -0.0552 0.0660 -0.2287
1628MeOH H3 4884 4.559 0.017 1.482 -0.3947 1.4843 -1.1636
1629MeOH Me1 4885 0.731 0.485 2.585 0.1265 -0.3400 0.2323
1629MeOH O2 4886 0.580 0.477 2.562 0.1980 -0.8536 -0.0653
1629MeOH H3 4887 0.542 0.569 2.569 -0.0883 -0.9448 -0.4284
1630MeOH Me1 4888 0.119 1.218 6.407 0.1310 0.0775 0.3783
1630MeOH O2 4889 0.232 1.218 6.510 0.1467 -0.1094 0.3613
1630MeOH H3 4890 0.240 1.126 6.549 -0.0672 -0.0968 0.4358
1631MeOH Me1 4891 4.485 3.275 4.188 -0.4032 -0.2217 -0.0868
1631MeOH O2 4892 4.635 3.247 4.176 -0.2642 0.6626 -0.4910
1631MeOH H3 4893 4.674 3.313 4.111 -0.5294 1.9801 0.6229
1632MeOH Me1 4894 1.050 3.425 0.466 0.1229 -0.2701 -0.1761
1632MeOH O2 4895 0.962 3.473 0.350 -0.3103 0.6162 0.5064
1632MeOH H3 4896 0.905 3.397 0.320 -2.5705 1.5872 2.0160
1633MeOH Me1 4897 2.503 4.941 6.831 0.0316 -0.4236 0.3208
1633MeOH O2 4898 2.603 5.008 6.737 -0.3031 -0.2351 0.0995
1633MeOH H3 4899 2.596 4.965 6.647 -0.5227 -0.1483 0.0730
1634MeOH Me1 4900 3.520 3.157 2.830 0.0025 0.3127 -0.4916
1634MeOH O2 4901 3.597 3.114 2.705 0.2480 -0.3372 -0.1197
1634MeOH H3 4902 3.694 3.125 2.722 0.2079 -0.0611 -0.0607
1635MeOH Me1 4903 3.667 3.477 9.934 -0.1416 -0.0116 0.2039
1635MeOH O2 4904 3.608 3.491 9.793 -0.2085 -0.5493 0.1747
1635MeOH H3 4905 3.573 3.584 9.783 1.5668 0.0701 -0.8371
1636MeOH Me1 4906 0.960 2.875 4.144 -0.4077 -0.2314 0.0313
1636MeOH O2 4907 0.901 2.739 4.180 0.1088 -0.2154 0.9806
1636MeOH H3 4908 0.823 2.753 4.241 -0.2562 -0.0422 0.4854
1637MeOH Me1 4909 4.014 1.862 1.049 0.5945 -0.5739 -0.1919
1637MeOH O2 4910 3.881 1.788 1.060 0.2982 -0.0583 -0.2891
1637MeOH H3 4911 3.898 1.697 1.098 -0.2959 0.5191 1.4551
1638MeOH Me1 4912 1.170 1.217 5.256 -0.2201 0.1503 0.5166
1638MeOH O2 4913 1.302 1.172 5.319 -0.1316 0.1269 0.3157
1638MeOH H3 4914 1.360 1.252 5.332 -0.3063 0.1946 0.7130
1639MeOH Me1 4915 0.138 3.406 2.627 -0.5302 0.5649 -0.0642
1639MeOH O2 4916 0.269 3.390 2.705 -0.5794 0.1977 -0.0560
1639MeOH H3 4917 0.276 3.464 2.771 0.0176 0.6625 -0.6251
1640MeOH Me1 4918 1.647 4.629 1.624 -0.0007 -0.0713 -0.3924
1640MeOH O2 4919 1.498 4.629 1.586 -0.0687 -0.6420 -0.1306
1640MeOH H3 4920 1.458 4.716 1.616 0.2366 0.3097 -2.3390
1641MeOH Me1 4921 2.211 2.457 1.425 0.2878 0.3791 0.0487
1641MeOH O2 4922 2.069 2.510 1.399 0.0506 -0.0512 0.4407
1641MeOH H3 4923 2.040 2.563 1.479 -1.1004 -2.6323 1.8514
1642MeOH Me1 4924 1.246 4.796 1.242 0.1454 -0.2817 -0.2666
1642MeOH O2 4925 1.150 4.867 1.338 -0.0896 -0.3838 -0.4337
1642MeOH H3 4926 1.065 4.814 1.342 -0.0342 -0.4847 -0.5568
1643MeOH Me1 4927 1.547 4.334 1.383 0.1278 0.1551 0.3063
1643MeOH O2 4928 1.633 4.209 1.360 0.5764 0.5390 -0.1153
1643MeOH H3 4929 1.714 4.215 1.418 1.4249 1.4448 -1.3215
1644MeOH Me1 4930 2.710 2.626 0.032 -0.0724 -0.0882 -0.4084
1644MeOH O2 4931 2.612 2.646 0.148 0.9554 0.8875 0.3183
1644MeOH H3 4932 2.522 2.615 0.118 0.7645 0.2153 1.5255
1645MeOH Me1 4933 0.763 2.095 9.352 0.2612 -0.1535 0.1773
1645MeOH O2 4934 0.905 2.147 9.330 0.0003 0.4581 -0.1434
1645MeOH H3 4935 0.906 2.201 9.247 0.3029 -2.3818 -2.1228
1646MeOH Me1 4936 0.942 1.285 9.848 -0.3093 -0.5231 -0.4499
1646MeOH O2 4937 0.841 1.362 9.763 -0.3792 0.0685 0.1656
1646MeOH H3 4938 0.861 1.346 9.666 -2.7369 -2.3383 -0.0312
1647MeOH Me1 4939 1.062 0.797 6.910 0.1884 0.0608 -0.1584
1647MeOH O2 4940 1.145 0.757 7.032 -0.0193 -0.0737 -0.0585
1647MeOH H3 4941 1.091 0.775 7.115 0.2725 0.9559 -0.0716
1648MeOH Me1 4942 2.251 4.000 1.653 -0.4162 0.4658 0.4194
1648MeOH O2 4943 2.125 3.971 1.734 -0.1668 -0.7597 0.3787
1648MeOH H3 4944 2.124 3.874 1.758 -0.1360 -1.1745 -1.1766
1649MeOH Me1 4945 4.344 3.165 2.713 -0.5807 0.5881 0.4321
1649MeOH O2 4946 4.312 3.125 2.569 -0.2615 0.5576 0.3681
1649MeOH H3 4947 4.387 3.155 2.510 0.8374 -1.2456 0.7986
1650MeOH Me1 4948 4.147 2.404 8.210 0.1515 0.1155 -0.2267
1650MeOH O2 4949 4.033 2.486 8.151 0.2102 -0.0467 -0.5707
1650MeOH H3 4950 4.070 2.548 8.081 0.3946 0.3044 -0.1631
1651MeOH Me1 4951 0.790 4.047 1.713 -0.7893 0.7381 0.7929
1651MeOH O2 4952 0.685 4.066 1.603 -0.0599 0.1295 -0.0176
1651MeOH H3 4953 0.612 3.998 1.617 0.6002 -0.8226 -1.0478
1652MeOH Me1 4954 3.569 4.225 9.094 0.5034 -0.6018 -0.1851
1652MeOH O2 4955 3.494 4.227 8.961 0.3452 -0.0204 -0.0887
1652MeOH H3 4956 3.534 4.158 8.901 1.7014 1.6899 -1.2432
1653MeOH Me1 4957 0.073 4.294 10.575 -0.6909 -0.1492 -0.1640
1653MeOH O2 4958 0.192 4.260 10.486 -0.0690 0.4868 0.4058
1653MeOH H3 4959 0.163 4.193 10.418 1.4771 -2.6889 2.6083
1654MeOH Me1 4960 3.120 1.982 10.193 0.8029 -0.1720 0.1669
1654MeOH O2 4961 3.052 1.990 10.330 0.3305 0.6466 -0.1064
1654MeOH H3 4962 3.120 2.020 10.397 0.0800 1.0806 -0.0485
1655MeOH Me1 4963 4.475 0.857 10.095 -0.1898 0.0359 0.2022
1655MeOH O2 4964 4.507 0.978 10.007 -0.1595 0.3510 0.6443
1655MeOH H3 4965 4.572 1.036 10.055 -0.2960 0.2592 0.9413
1656MeOH Me1 4966 0.500 3.901 9.202 -0.1149 0.2299 -0.0221
1656MeOH O2 4967 0.580 3.935 9.076 0.5688 -0.7165 0.1480
1656MeOH H3 4968 0.674 3.954 9.102 0.4824 -0.7472 0.4869
1657MeOH Me1 4969 0.559 2.197 8.441 -0.4254 0.6092 -0.1548
1657MeOH O2 4970 0.631 2.198 8.577 0.0805 0.3361 -0.4166
1657MeOH H3 4971 0.722 2.238 8.564 -0.6341 2.1080 -0.3568
1658MeOH Me1 4972 2.066 1.157 7.304 -0.0360 -0.3832 0.3875
1658MeOH O2 4973 1.934 1.119 7.236 0.0986 0.1649 -0.1894
1658MeOH H3 4974 1.866 1.100 7.307 -0.1252 -0.1287 -0.4782
1659MeOH Me1 4975 3.875 4.373 5.581 -0.0894 0.1162 -0.2073
1659MeOH O2 4976 4.013 4.436 5.599 -0.2785 0.5373 -0.2251
1659MeOH H3 4977 4.043 4.419 5.693 -0.3763 0.9584 -0.1120
1660MeOH Me1 4978 3.245 0.011 29.489 0.3379 -0.7321 0.4117
1660MeOH O2 4979 3.158 0.125 29.543 0.6295 -0.4003 0.1917
1660MeOH H3 4980 3.203 0.212 29.525 1.3295 -0.6090 0.8939
1661MeOH Me1 4981 4.997 0.866 8.111 0.5959 -0.3509 -0.2025
1661MeOH O2 4982 4.884 0.812 8.199 0.5863 -0.2973 -0.1812
1661MeOH H3 4983 4.916 0.728 8.243 0.6666 -0.1402 0.0637
1662MeOH Me1 4984 2.993 0.879 2.182 0.9223 -0.5969 -0.8207
1662MeOH O2 4985 2.902 0.757 2.200 0.3408 0.0200 0.4988
1662MeOH H3 4986 2.807 0.789 2.203 0.4310 0.4476 -0.6375
1663MeOH Me1 4987 2.340 1.924 0.780 0.0011 -0.7348 -0.1123
1663MeOH O2 4988 2.459 1.946 0.686 0.0770 -0.0790 0.1345
1663MeOH H3 4989 2.502 1.858 0.667 -0.1066 -0.0024 -0.7005
1664MeOH Me1 4990 0.433 4.052 1.275 -0.1852 0.2621 0.2353
1664MeOH O2 4991 0.529 3.955 1.206 -0.0787 0.3828 0.2148
1664MeOH H3 4992 0.563 3.999 1.122 -0.7314 0.1330 -0.1859
1665MeOH Me1 4993 3.209 1.536 4.393 -0.0548 -0.0089 0.3627
1665MeOH O2 4994 3.361 1.532 4.375 -0.1102 -0.4474 -0.0559
1665MeOH H3 4995 3.394 1.441 4.398 -0.0280 0.0764 2.1972
1666MeOH Me1 4996 4.821 3.555 9.894 -0.2773 0.2779 0.4256
1666MeOH O2 4997 4.724 3.568 9.777 -0.2702 0.0789 0.3965
1666MeOH H3 4998 4.661 3.490 9.779 -0.0101 -0.1358 0.2816
1667MeOH Me1 4999 3.848 2.068 5.609 0.0012 -0.1029 -0.5560
1667MeOH O2 5000 3.695 2.057 5.605 0.0005 -0.1457 -0.4394
1667MeOH H3 5001 3.657 2.150 5.595 -0.0168 -0.1932 -0.8549
1668MeOH Me1 5002 2.267 3.281 9.477 -0.1730 -0.5444 0.1964
1668MeOH O2 5003 2.359 3.387 9.537 0.2121 -1.0333 0.4855
1668MeOH H3 5004 2.374 3.458 9.468 0.0966 -0.6715 0.8293
1669MeOH Me1 5005 3.041 1.231 5.668 0.4383 -0.8529 0.4692
1669MeOH O2 5006 2.963 1.271 5.794 -0.2187 -0.2357 -0.1247
1669MeOH H3 5007 2.996 1.360 5.824 -0.2759 -0.1520 -0.3079
1670MeOH Me1 5008 2.043 0.273 29.940 -0.5238 0.2845 0.5468
1670MeOH O2 5009 2.157 0.369 29.974 0.0840 -0.1847 -0.1122
1670MeOH H3 5010 2.161 0.440 29.904 0.5573 -0.7096 -0.6166
1671MeOH Me1 5011 2.281 1.117 3.437 0.9669 -0.0775 -0.0014
1671MeOH O2 5012 2.269 1.012 3.548 0.0104 0.1379 0.1064
1671MeOH H3 5013 2.175 0.975 3.546 -0.2457 0.7831 -0.0329
1672MeOH Me1 5014 3.603 4.416 8.282 -0.3429 -0.4582 -0.5207
1672MeOH O2 5015 3.679 4.495 8.176 0.3106 -0.4828 -0.0752
1672MeOH H3 5016 3.629 4.580 8.158 1.2419 0.2591 0.7297
1673MeOH Me1 5017 2.720 0.246 3.736 -0.6474 -0.2073 0.0438
1673MeOH O2 5018 2.628 0.332 3.824 -0.5904 -0.2872 0.1943
1673MeOH H3 5019 2.534 0.300 3.812 -0.3505 -1.9902 2.1549
1674MeOH Me1 5020 0.270 2.250 10.768 0.1469 0.1543 0.5781
1674MeOH O2 5021 0.383 2.174 10.700 -0.0576 0.3040 0.0334
1674MeOH H3 5022 0.358 2.159 10.604 0.5420 2.3586 -0.4909
1675MeOH Me1 5023 0.232 3.256 10.332 0.6737 -0.8189 -0.2658
1675MeOH O2 5024 0.112 3.164 10.309 -0.0502 0.0972 -0.2183
1675MeOH H3 5025 0.066 3.150 10.397 -0.0549 0.3634 -0.1788
1676MeOH Me1 5026 3.054 4.220 1.511 0.0619 -0.4986 0.3407
1676MeOH O2 5027 2.920 4.172 1.567 -0.1621 -0.4083 -0.1137
1676MeOH H3 5028 2.937 4.096 1.629 -0.0908 1.5361 2.3973
1677MeOH Me1 5029 4.096 4.147 10.943 -0.0562 0.1619 -0.2743
1677MeOH O2 5030 4.048 4.265 10.858 0.2905 0.0946 -0.5644
1677MeOH H3 5031 3.959 4.240 10.817 -0.5272 0.8285 0.7143
1678MeOH Me1 5032 4.490 2.677 0.545 0.6254 0.2716 -0.7388
1678MeOH O2 5033 4.630 2.727 0.581 0.3521 0.2018 0.4592
1678MeOH H3 5034 4.635 2.824 0.561 0.5027 0.2386 0.6753
1679MeOH Me1 5035 2.096 2.399 4.776 0.2772 0.0553 0.0747
1679MeOH O2 5036 2.156 2.533 4.820 0.1526 0.1521 -0.0511
1679MeOH H3 5037 2.255 2.522 4.828 0.2836 0.5096 -0.9968
1680MeOH Me1 5038 0.652 2.760 1.697 0.0033 0.1741 0.2819
1680MeOH O2 5039 0.681 2.874 1.795 -0.3774 0.0053 0.5945
1680MeOH H3 5040 0.685 2.836 1.887 0.3922 -0.3471 0.4243
1681MeOH Me1 5041 3.360 3.419 4.734 0.2751 -0.2508 0.3383
1681MeOH O2 5042 3.501 3.458 4.781 0.2602 0.0331 0.1501
1681MeOH H3 5043 3.540 3.521 4.715 -0.3771 0.9742 0.6553
1682MeOH Me1 5044 4.428 1.762 9.063 0.6689 -0.0543 -0.1752
1682MeOH O2 5045 4.479 1.776 8.920 0.6899 0.1479 -0.1481
1682MeOH H3 5046 4.468 1.871 8.891 0.0647 0.0446 -0.2574
1683MeOH Me1 5047 4.112 2.569 1.741 0.3127 -0.0218 -0.2403
1683MeOH O2 5048 4.242 2.549 1.663 0.4096 0.0969 -0.0822
1683MeOH H3 5049 4.305 2.623 1.685 -0.2728 1.0538 -1.2337
1684MeOH Me1 5050 1.119 2.037 5.832 0.0837 -0.3049 0.1669
1684MeOH O2 5051 0.971 2.004 5.853 0.1053 -0.6014 -0.1366
1684MeOH H3 5052 0.916 2.078 5.813 0.0675 0.0543 1.0864
1685MeOH Me1 5053 4.358 4.901 5.427 -0.3365 0.1161 -0.1861
1685MeOH O2 5054 4.210 4.890 5.390 -0.3633 0.0967 -0.0770
1685MeOH H3 5055 4.199 4.917 5.295 -0.7867 2.4733 0.5733
1686MeOH Me1 5056 3.939 0.604 1.747 0.5777 0.6987 0.1407
1686MeOH O2 5057 3.945 0.512 1.868 -0.2659 0.6281 0.1316
1686MeOH H3 5058 3.960 0.418 1.837 -0.8408 0.5269 0.1399
1687MeOH Me1 5059 4.611 2.569 6.192 0.0203 0.1381 -0.1737
1687MeOH O2 5060 4.670 2.573 6.333 0.5534 -0.6248 -0.3697
1687MeOH H3 5061 4.764 2.604 6.328 0.4343 -0.2861 -0.5310
1688MeOH Me1 5062 0.356 1.803 3.120 -0.5002 0.0566 -0.0874
1688MeOH O2 5063 0.259 1.862 3.223 -0.1954 -0.1967 0.3430
1688MeOH H3 5064 0.301 1.943 3.263 -1.5598 1.9148 -2.2442
1689MeOH Me1 5065 1.168 0.134 4.587 0.0805 0.2661 -0.1871
1689MeOH O2 5066 1.034 0.172 4.650 -0.0637 -0.2961 -0.1492
1689MeOH H3 5067 0.966 0.104 4.624 0.4156 -1.0972 0.6216
1690MeOH Me1 5068 2.069 0.110 3.895 -0.3939 -0.1748 -0.3949
1690MeOH O2 5069 2.189 0.060 3.815 0.1399 0.1076 0.2172
1690MeOH H3 5070 2.156 -0.005 3.746 0.4888 0.8924 -0.7122
1691MeOH Me1 5071 1.447 1.597 -0.033 0.0009 -0.6225 0.1090
1691MeOH O2 5072 1.543 1.543 0.073 0.2880 0.0003 0.1711
1691MeOH H3 5073 1.574 1.452 0.045 -0.0691 -0.3205 0.7985
1692MeOH Me1 5074 2.905 1.459 4.091 0.2268 0.3861 0.1324
1692MeOH O2 5075 2.758 1.486 4.124 0.0325 -0.2480 -0.1973
1692MeOH H3 5076 2.729 1.423 4.196 1.5681 2.7323 3.3659
1693MeOH Me1 5077 1.093 4.216 6.158 0.1304 0.3360 0.3952
1693MeOH O2 5078 1.005 4.091 6.149 0.3909 0.1515 0.3902
1693MeOH H3 5079 1.061 4.011 6.169 1.0684 0.0569 -1.7216
1694MeOH Me1 5080 4.749 4.285 3.690 -0.1576 -0.0228 0.2418
1694MeOH O2 5081 4.834 4.198 3.784 -0.1047 0.1857 0.3884
1694MeOH H3 5082 4.779 4.120 3.813 -0.0345 0.1641 0.4633
1695MeOH Me1 5083 4.590 1.419 1.995 -0.3417 0.5717 -0.0494
1695MeOH O2 5084 4.582 1.302 2.093 0.5920 0.2886 -0.3056
1695MeOH H3 5085 4.486 1.278 2.108 0.7532 -2.9361 -3.2215
1696MeOH Me1 5086 4.189 2.071 6.566 -0.0122 -0.0872 -0.3069
1696MeOH O2 5087 4.190 2.172 6.451 0.4915 0.2166 -0.0402
1696MeOH H3 5088 4.097 2.206 6.437 0.3987 -0.3846 -0.9327
1697MeOH Me1 5089 3.407 3.190 4.405 0.3814 -0.1296 0.3715
1697MeOH O2 5090 3.276 3.124 4.452 0.0722 0.0338 -0.2784
1697MeOH H3 5091 3.221 3.193 4.498 0.1752 -0.0359 -0.0481
1698MeOH Me1 5092 0.984 2.782 1.977 -0.1301 -0.8977 0.2878
1698MeOH O2 5093 0.955 2.881 2.090 -0.0212 -0.5558 0.0177
1698MeOH H3 5094 1.038 2.892 2.145 -0.5822 -2.1361 1.2606
1699MeOH Me1 5095 4.129 1.721 4.634 0.5227 -0.3207 -0.4988
1699MeOH O2 5096 4.055 1.619 4.548 -0.1843 -0.2726 0.0559
1699MeOH H3 5097 3.978 1.582 4.600 1.3303 -1.6951 1.3816
1700MeOH Me1 5098 2.653 2.689 2.877 -0.0353 0.4038 0.3009
1700MeOH O2 5099 2.755 2.775 2.952 0.6856 -0.1314 -0.0538
1700MeOH H3 5100 2.775 2.856 2.896 1.4100 -0.5485 -0.4152
1701MeOH Me1 5101 2.177 2.096 7.013 0.0740 -0.2591 -0.5452
1701MeOH O2 5102 2.305 2.037 6.952 0.5251 0.0692 0.0821
1701MeOH H3 5103 2.378 2.044 7.020 0.7632 2.3344 -0.3184
1702MeOH Me1 5104 3.127 3.100 5.915 0.1049 -0.5112 -0.0710
1702MeOH O2 5105 3.269 3.084 5.860 0.1778 -0.1672 0.0147
1702MeOH H3 5106 3.326 3.157 5.898 -0.1230 0.2303 -0.2879
1703MeOH Me1 5107 0.580 1.173 7.860 0.0805 -0.1309 -0.3442
1703MeOH O2 5108 0.428 1.182 7.870 0.0598 -0.1835 -0.6189
1703MeOH H3 5109 0.389 1.152 7.783 0.1516 -2.3928 0.0392
1704MeOH Me1 5110 1.120 2.772 10.222 0.4266 -0.1334 0.7335
1704MeOH O2 5111 1.030 2.670 10.152 0.2356 0.3250 0.2710
1704MeOH H3 5112 0.999 2.603 10.219 -1.6583 1.3174 0.4440
1705MeOH Me1 5113 0.808 3.530 10.834 -0.4341 -0.3290 -0.5237
1705MeOH O2 5114 0.743 3.487 10.702 -0.2311 -0.2699 -0.6268
1705MeOH H3 5115 0.801 3.516 10.627 -0.5337 0.4929 -0.5711
1706MeOH Me1 5116 1.110 4.137 8.471 -0.0225 0.6855 -0.1171
1706MeOH O2 5117 1.253 4.173 8.428 0.0789 -0.0510 -0.3990
1706MeOH H3 5118 1.247 4.235 8.349 0.2372 0.2500 -0.1738
1707MeOH Me1 5119 3.597 2.073 7.265 0.4379 0.3965 0.0188
1707MeOH O2 5120 3.677 1.997 7.158 0.1358 0.6743 -0.4045
1707MeOH H3 5121 3.742 1.937 7.204 0.5909 0.9011 -0.7483
1708MeOH Me1 5122 2.560 0.978 0.855 -0.7923 -0.3978 0.2452
1708MeOH O2 5123 2.691 1.053 0.881 -0.8324 -0.2583 0.0460
1708MeOH H3 5124 2.766 1.000 0.843 -0.7527 -0.5584 0.6150
1709MeOH Me1 5125 3.269 0.807 8.735 0.2598 -0.0848 0.0193
1709MeOH O2 5126 3.247 0.953 8.774 0.2065 0.1605 -0.8978
1709MeOH H3 5127 3.209 1.002 8.695 -0.4814 -0.5085 -0.9918
1710MeOH Me1 5128 2.113 0.793 9.946 0.1133 -0.1158 0.2765
1710MeOH O2 5129 2.203 0.896 10.016 0.6579 -0.5831 0.2717
1710MeOH H3 5130 2.298 0.867 10.006 0.8187 0.7056 -2.7245
1711MeOH Me1 5131 3.153 0.989 0.303 -0.1510 -0.0044 -0.2423
1711MeOH O2 5132 3.100 0.935 0.436 -0.3875 -0.2386 -0.4329
1711MeOH H3 5133 3.176 0.896 0.487 -0.4985 -0.4376 -0.4178
1712MeOH Me1 5134 3.362 4.685 2.242 0.3950 0.6141 0.0332
1712MeOH O2 5135 3.407 4.541 2.215 -0.0649 0.5388 -0.4164
1712MeOH H3 5136 3.391 4.521 2.119 1.8644 1.6284 -1.0256
1713MeOH Me1 5137 0.417 3.244 1.584 0.4713 0.6608 -0.2748
1713MeOH O2 5138 0.307 3.224 1.688 0.4232 0.1954 -0.4104
1713MeOH H3 5139 0.320 3.135 1.731 0.0102 -0.2816 -1.2637
1714MeOH Me1 5140 3.345 2.749 10.328 -0.7441 0.2926 0.0223
1714MeOH O2 5141 3.368 2.814 10.465 0.1733 0.4521 -0.2011
1714MeOH H3 5142 3.407 2.905 10.450 0.0211 0.4595 -0.5708
1715MeOH Me1 5143 3.013 2.633 9.425 0.4191 0.3947 0.0654
1715MeOH O2 5144 2.966 2.770 9.376 -0.2602 0.0746 -0.1856
1715MeOH H3 5145 2.948 2.828 9.455 -0.1866 0.2501 -0.2970
1716MeOH Me1 5146 2.943 1.007 6.101 -0.0097 0.2088 -0.2185
1716MeOH O2 5147 2.985 0.979 5.957 0.2001 0.0871 -0.1358
1716MeOH H3 5148 2.963 1.060 5.901 1.2683 0.4647 -0.0337
1717MeOH Me1 5149 1.631 1.205 11.131 -1.0468 -0.4110 0.7866
1717MeOH O2 5150 1.691 1.085 11.058 0.1984 0.5757 0.1502
1717MeOH H3 5151 1.790 1.086 11.071 0.2911 1.9207 -0.4499
1718MeOH Me1 5152 3.019 1.997 2.850 -0.2158 0.6822 0.0300
1718MeOH O2 5153 2.998 1.962 2.702 0.1024 0.3354 0.0670
1718MeOH H3 5154 2.976 1.865 2.695 -0.9283 0.5370 0.3458
1719MeOH Me1 5155 0.676 3.117 4.022 0.3116 -0.0128 0.2322
1719MeOH O2 5156 0.624 2.985 4.078 -0.2677 0.1418 0.0635
1719MeOH H3 5157 0.645 2.912 4.013 0.1362 0.0079 0.3448
1720MeOH Me1 5158 0.135 1.385 8.495 0.1968 -0.4605 0.6388
1720MeOH O2 5159 0.108 1.369 8.345 -0.8884 0.6229 0.7081
1720MeOH H3 5160 0.115 1.273 8.322 -2.5814 0.5919 0.2224
1721MeOH Me1 5161 3.858 1.317 0.729 0.1439 0.1510 0.3522
1721MeOH O2 5162 3.846 1.452 0.799 0.1637 0.2928 0.0862
1721MeOH H3 5163 3.889 1.445 0.889 -1.3494 -0.0469 0.8103
1722MeOH Me1 5164 3.923 3.806 4.674 0.1793 0.8107 -0.1352
1722MeOH O2 5165 4.007 3.882 4.777 0.2763 -0.5611 0.8321
1722MeOH H3 5166 4.103 3.875 4.750 0.0573 2.3993 -1.2414
1723MeOH Me1 5167 2.507 2.152 8.668 0.3590 0.2362 0.3768
1723MeOH O2 5168 2.495 2.114 8.816 -0.7988 -0.2083 0.1734
1723MeOH H3 5169 2.466 2.195 8.868 -1.3154 -0.3916 0.1827
1724MeOH Me1 5170 1.030 0.438 1.057 -0.0158 -0.3272 0.3566
1724MeOH O2 5171 0.968 0.485 0.925 0.3320 -0.8229 0.0124
1724MeOH H3 5172 0.983 0.584 0.917 1.1178 -0.9981 -0.7367
1725MeOH Me1 5173 4.686 0.606 1.190 0.1107 0.4368 -0.3108
1725MeOH O2 5174 4.831 0.647 1.212 0.0238 0.3695 0.4046
1725MeOH H3 5175 4.890 0.568 1.194 0.0619 0.2593 0.9780
1726MeOH Me1 5176 1.880 4.626 1.167 -0.0227 -0.3125 -0.5422
1726MeOH O2 5177 1.872 4.720 1.287 0.4167 0.2121 -0.9152
1726MeOH H3 5178 1.907 4.671 1.368 1.5227 0.8471 -0.9901
1727MeOH Me1 5179 3.873 2.352 29.271 -0.5168 -0.1080 0.0530
1727MeOH O2 5180 3.902 2.284 29.406 0.1948 -0.2746 -0.1719
1727MeOH H3 5181 3.827 2.222 29.427 -1.0594 1.6172 1.3720
1728MeOH Me1 5182 0.580 2.869 2.177 -0.4671 0.3524 -0.9625
1728MeOH O2 5183 0.675 2.807 2.076 0.5089 0.0008 0.1484
1728MeOH H3 5184 0.769 2.833 2.100 0.2950 0.0052 0.9992
1729MeOH Me1 5185 4.487 3.653 9.110 0.2604 -0.2151 0.0745
1729MeOH O2 5186 4.590 3.550 9.061 -0.2350 -0.2229 -0.9792
1729MeOH H3 5187 4.560 3.515 8.972 -1.6363 -0.9245 -0.2576
1730MeOH Me1 5188 3.494 4.347 2.911 -0.0165 -0.2800 -0.1609
1730MeOH O2 5189 3.369 4.352 2.999 0.2091 0.1151 0.1399
1730MeOH H3 5190 3.383 4.421 3.070 0.1512 0.8778 -0.5729
1731MeOH Me1 5191 0.946 4.584 10.652 0.2232 -0.1679 -0.5042
1731MeOH O2 5192 0.859 4.708 10.631 -0.6650 -0.7679 -0.4144
1731MeOH H3 5193 0.782 4.703 10.695 -0.7605 -1.4705 -0.5693
1732MeOH Me1 5194 3.642 2.227 0.830 0.2416 -0.1352 -0.5259
1732MeOH O2 5195 3.699 2.274 0.964 -0.6142 -0.1400 -0.1526
1732MeOH H3 5196 3.681 2.372 0.974 -0.7231 -0.1508 -0.2425
1733MeOH Me1 5197 3.001 3.978 2.307 0.4871 0.2055 -0.0540
1733MeOH O2 5198 3.063 4.092 2.389 0.6889 0.1684 -0.1538
1733MeOH H3 5199 3.099 4.054 2.474 -1.4792 0.5135 0.9847
1734MeOH Me1 5200 4.794 2.716 3.763 -0.3653 0.0044 -0.1723
1734MeOH O2 5201 4.934 2.737 3.821 -0.2292 -0.5902 -0.2753
1734MeOH H3 5202 5.001 2.721 3.748 -0.4094 0.3703 -0.6740
1735MeOH Me1 5203 4.906 0.607 11.045 -0.3592 0.7870 -0.5689
1735MeOH O2 5204 4.947 0.536 10.915 0.0180 -0.2887 0.1260
1735MeOH H3 5205 5.000 0.600 10.860 -1.2077 -0.1724 -0.9771
1736MeOH Me1 5206 0.700 1.992 8.839 -0.1659 0.2210 -0.0862
1736MeOH O2 5207 0.593 1.981 8.730 -0.3663 -0.2922 0.1688
1736MeOH H3 5208 0.620 2.039 8.653 0.8147 -2.6377 -1.2869
1737MeOH Me1 5209 1.013 3.818 0.426 -0.2177 0.2778 -0.2455
1737MeOH O2 5210 1.086 3.722 0.332 0.3693 0.8452 -0.3836
1737MeOH H3 5211 1.045 3.631 0.342 -0.1157 0.9095 -1.6642
1738MeOH Me1 5212 2.472 2.725 3.189 0.4267 -0.1530 -0.1489
1738MeOH O2 5213 2.548 2.850 3.143 -0.2932 0.2683 -0.2044
1738MeOH H3 5214 2.637 2.822 3.106 -0.6940 0.6353 -1.4934
1739MeOH Me1 5215 0.927 4.320 1.799 0.7848 0.6550 -0.3090
1739MeOH O2 5216 0.960 4.236 1.922 0.2240 0.6422 -0.1626
1739MeOH H3 5217 0.881 4.235 1.983 0.4630 1.8736 0.1873
1740MeOH Me1 5218 3.956 0.987 10.225 -0.5498 -0.4789 0.3453
1740MeOH O2 5219 4.046 1.061 10.126 -0.8463 0.0358 0.4611
1740MeOH H3 5220 4.137 1.019 10.127 -0.6435 0.4684 0.4791
1741MeOH Me1 5221 3.661 0.395 2.626 0.3664 0.0209 -0.0174
1741MeOH O2 5222 3.673 0.306 2.750 0.4705 -0.1695 -0.1639
1741MeOH H3 5223 3.753 0.336 2.803 1.5715 -1.3647 -1.0806
1742MeOH Me1 5224 2.218 0.120 1.723 0.5574 0.2004 0.9178
1742MeOH O2 5225 2.156 -0.019 1.739 0.3030 0.1979 -0.0461
1742MeOH H3 5226 2.228 -0.084 1.763 0.2236 -0.1514 -0.7277
1743MeOH Me1 5227 4.094 4.223 3.743 0.1220 0.0636 0.3439
1743MeOH O2 5228 3.954 4.167 3.766 0.0136 0.1728 -0.0303
1743MeOH H3 5229 3.898 4.187 3.687 0.7362 -1.3521 -0.9830
1744MeOH Me1 5230 1.340 2.670 3.542 -0.2083 0.4873 0.2037
1744MeOH O2 5231 1.207 2.593 3.542 -0.3198 0.6739 0.2167
1744MeOH H3 5232 1.141 2.644 3.597 -0.7907 1.6984 -1.2511
1745MeOH Me1 5233 4.909 2.568 4.101 0.1123 -0.1539 0.5650
1745MeOH O2 5234 4.967 2.510 3.972 0.1701 0.1629 0.4462
1745MeOH H3 5235 5.004 2.585 3.917 0.8093 0.2311 0.9567
1746MeOH Me1 5236 1.149 4.904 2.028 0.2332 0.4760 -0.3860
1746MeOH O2 5237 1.241 5.002 2.101 0.0408 -0.3882 1.0344
1746MeOH H3 5238 1.269 5.074 2.037 0.5250 0.1692 1.8522
1747MeOH Me1 5239 4.899 3.545 8.897 0.3609 0.0148 -0.1250
1747MeOH O2 5240 5.031 3.614 8.863 0.4423 -0.3052 -0.5076
1747MeOH H3 5241 5.062 3.582 8.774 -0.4472 0.3898 -1.0839
1748MeOH Me1 5242 1.626 4.666 10.454 0.4177 -0.0962 0.2056
1748MeOH O2 5243 1.560 4.532 10.421 -0.7037 0.4682 0.1070
1748MeOH H3 5244 1.627 4.475 10.372 -0.9707 -0.2707 0.5814
1749MeOH Me1 5245 0.384 1.310 4.395 0.2775 0.0780 -0.2441
1749MeOH O2 5246 0.490 1.409 4.345 -0.0209 0.5102 -0.0173
1749MeOH H3 5247 0.569 1.358 4.312 -0.1944 0.7968 -0.8899
1750MeOH Me1 5248 4.265 2.081 2.435 -0.0129 -0.4227 0.2559
1750MeOH O2 5249 4.206 2.182 2.534 -0.1333 0.1224 -0.3661
1750MeOH H3 5250 4.266 2.262 2.537 0.3642 -0.2531 -0.0456
1751MeOH Me1 5251 3.168 4.400 8.894 0.2162 0.2623 -0.0480
1751MeOH O2 5252 3.203 4.258 8.941 -0.2910 0.2155 0.1959
1751MeOH H3 5253 3.302 4.247 8.937 -0.4390 -1.4459 -3.6666
1752MeOH Me1 5254 2.901 1.270 1.253 -0.5810 0.3739 -0.0710
1752MeOH O2 5255 2.983 1.336 1.143 -0.0302 -0.4566 -0.1624
1752MeOH H3 5256 2.949 1.305 1.055 2.1961 -3.3570 -0.1551
1753MeOH Me1 5257 0.440 1.049 3.783 0.1331 0.1471 0.1113
1753MeOH O2 5258 0.490 1.188 3.741 0.3362 0.1335 0.3341
1753MeOH H3 5259 0.415 1.253 3.750 -0.5898 -0.3572 -2.7172
1754MeOH Me1 5260 5.062 0.222 4.748 -0.3682 0.3976 0.1707
1754MeOH O2 5261 4.928 0.175 4.806 -0.0410 0.0859 0.6461
1754MeOH H3 5262 4.870 0.256 4.821 -0.1049 -0.0308 1.0597
1755MeOH Me1 5263 4.996 2.217 5.449 0.6264 0.3817 0.1095
1755MeOH O2 5264 4.915 2.151 5.338 0.1948 0.4826 0.3632
1755MeOH H3 5265 4.889 2.221 5.272 -0.3308 0.5985 0.6871
1756MeOH Me1 5266 2.201 2.382 8.618 0.1193 0.3532 -0.1735
1756MeOH O2 5267 2.170 2.528 8.582 -0.3438 0.3926 0.3664
1756MeOH H3 5268 2.251 2.567 8.538 -1.2244 0.1633 -1.5293
1757MeOH Me1 5269 2.241 1.965 4.538 -0.3016 0.3014 0.1104
1757MeOH O2 5270 2.099 2.011 4.509 -0.4485 -0.1912 0.0336
1757MeOH H3 5271 2.046 1.933 4.476 0.6047 0.2016 -2.8227
1758MeOH Me1 5272 0.111 2.206 4.767 -0.3142 -0.0611 0.6117
1758MeOH O2 5273 0.232 2.268 4.838 -0.2288 0.1970 0.2424
1758MeOH H3 5274 0.244 2.222 4.926 0.8045 -0.5375 -0.2559
1759MeOH Me1 5275 2.231 4.192 9.799 -0.2334 0.4468 -0.2421
1759MeOH O2 5276 2.316 4.067 9.774 0.0309 0.5252 0.2350
1759MeOH H3 5277 2.352 4.072 9.681 -0.5579 -0.0902 -0.0345
1760MeOH Me1 5278 0.456 3.982 3.202 0.0013 0.2224 0.1450
1760MeOH O2 5279 0.339 4.072 3.164 -0.1796 0.0001 0.1718
1760MeOH H3 5280 0.277 4.020 3.106 0.2444 0.0844 -0.3635
1761MeOH Me1 5281 1.609 1.154 1.780 -0.2219 -0.3820 -0.0910
1761MeOH O2 5282 1.555 1.246 1.670 0.5603 -0.1145 -0.2602
1761MeOH H3 5283 1.632 1.283 1.618 0.8685 -1.1984 -0.5984
1762MeOH Me1 5284 3.308 0.774 5.095 0.3381 -0.1525 -0.1845
1762MeOH O2 5285 3.365 0.801 4.956 -0.1292 0.2199 -0.3026
1762MeOH H3 5286 3.459 0.834 4.966 -0.0037 -0.0640 -0.5429
1763MeOH Me1 5287 1.824 4.819 5.863 -0.0643 0.0745 -0.4130
1763MeOH O2 5288 1.764 4.893 5.744 -0.2568 0.2991 -0.1790
1763MeOH H3 5289 1.836 4.945 5.699 -0.6292 1.6005 0.6987
1764MeOH Me1 5290 0.801 2.976 2.911 -0.6907 -0.3064 0.5035
1764MeOH O2 5291 0.825 2.855 2.820 0.0750 0.1254 0.1185
1764MeOH H3 5292 0.770 2.865 2.737 -2.1572 -1.2237 1.3298
1765MeOH Me1 5293 3.040 3.205 6.266 -0.3720 0.0991 0.3403
1765MeOH O2 5294 3.168 3.288 6.264 0.0126 -0.4973 0.1679
1765MeOH H3 5295 3.236 3.244 6.323 0.4771 -1.7402 -1.2318
1766MeOH Me1 5296 1.352 2.095 9.799 -0.0450 -0.0560 -0.1758
1766MeOH O2 5297 1.386 2.243 9.820 0.0153 0.0055 -0.6418
1766MeOH H3 5298 1.441 2.274 9.743 0.0525 -0.2798 -0.7325
1767MeOH Me1 5299 1.183 3.059 2.369 -0.3283 -0.3346 -0.2937
1767MeOH O2 5300 1.157 2.954 2.262 -0.2904 -1.0661 0.4065
1767MeOH H3 5301 1.200 2.868 2.291 1.5480 -0.3248 0.0305
1768MeOH Me1 5302 3.733 4.322 1.597 -0.0742 -0.3807 0.2651
1768MeOH O2 5303 3.747 4.428 1.706 -0.6273 0.1052 -0.1294
1768MeOH H3 5304 3.689 4.402 1.784 0.2776 -0.4504 0.3787
1769MeOH Me1 5305 1.793 4.604 5.498 -0.2831 0.1991 -0.2389
1769MeOH O2 5306 1.688 4.714 5.514 -0.0201 0.4078 0.0483
1769MeOH H3 5307 1.719 4.777 5.586 0.0195 0.0162 0.3789
1770MeOH Me1 5308 2.143 4.095 9.250 -0.5585 -0.3549 -0.0904
1770MeOH O2 5309 2.093 4.233 9.206 0.4650 0.0399 -0.0405
1770MeOH H3 5310 2.052 4.278 9.286 -1.3086 -0.6367 -0.5243
1771MeOH Me1 5311 2.340 3.533 29.126 -0.2084 -0.1577 0.7759
1771MeOH O2 5312 2.370 3.446 29.248 -0.2782 -0.7762 0.3535
1771MeOH H3 5313 2.439 3.491 29.304 -1.1726 -0.4750 1.2417
1772MeOH Me1 5314 2.729 3.963 1.384 -0.0648 0.4436 -0.6599
1772MeOH O2 5315 2.805 4.088 1.341 0.5993 0.1054 -0.4825
1772MeOH H3 5316 2.861 4.120 1.418 -0.9407 0.9800 0.3171
1773MeOH Me1 5317 1.120 0.690 5.197 0.0280 -0.9289 -0.0198
1773MeOH O2 5318 1.239 0.710 5.291 -0.1192 0.0732 -0.0393
1773MeOH H3 5319 1.289 0.792 5.263 -0.7381 0.4239 -0.1246
1774MeOH Me1 5320 1.403 2.739 9.030 -0.0229 -0.0515 -0.2496
1774MeOH O2 5321 1.520 2.647 8.994 -0.1869 -0.1686 -0.5326
1774MeOH H3 5322 1.602 2.703 8.982 0.0564 -0.3390 0.2628
1775MeOH Me1 5323 2.574 1.215 3.098 -1.0158 0.0184 0.1605
1775MeOH O2 5324 2.569 1.179 2.949 0.5883 0.3130 0.0209
1775MeOH H3 5325 2.555 1.263 2.897 -0.8358 0.1983 0.1779
1776MeOH Me1 5326 1.812 2.125 7.935 0.1932 0.1650 -0.2024
1776MeOH O2 5327 1.761 2.218 7.825 -0.4304 0.2176 0.1281
1776MeOH H3 5328 1.703 2.288 7.867 0.7961 0.9455 0.6688
1777MeOH Me1 5329 0.229 4.521 9.243 0.1380 -0.2776 -0.3725
1777MeOH O2 5330 0.375 4.503 9.200 0.3224 -0.0026 0.1597
1777MeOH H3 5331 0.428 4.473 9.280 -0.0952 -0.8864 0.1135
1778MeOH Me1 5332 2.802 2.886 5.881 0.0924 -0.2461 0.0974
1778MeOH O2 5333 2.651 2.863 5.879 0.1768 -0.8819 0.5416
1778MeOH H3 5334 2.607 2.943 5.838 -0.2825 -0.9931 0.8058
1779MeOH Me1 5335 1.003 1.545 7.721 -0.1975 -0.1249 0.3335
1779MeOH O2 5336 1.149 1.555 7.766 0.0126 -0.3481 -0.2873
1779MeOH H3 5337 1.204 1.586 7.689 -0.8036 3.1880 0.3423
1780MeOH Me1 5338 1.673 3.451 7.977 0.2061 0.3121 0.0644
1780MeOH O2 5339 1.522 3.472 7.979 0.1951 0.1977 0.5282
1780MeOH H3 5340 1.501 3.553 8.034 0.0942 -1.4305 3.0913
1781MeOH Me1 5341 3.683 1.527 6.347 0.0282 0.0539 0.2172
1781MeOH O2 5342 3.835 1.539 6.329 0.0072 -0.0468 -0.0243
1781MeOH H3 5343 3.867 1.461 6.276 -0.1182 -0.1042 -0.0160
1782MeOH Me1 5344 3.104 0.432 1.733 0.2163 -0.1661 0.4180
1782MeOH O2 5345 3.168 0.438 1.594 0.1234 -0.6073 0.3516
1782MeOH H3 5346 3.101 0.473 1.529 0.1489 -0.5959 0.3308
1783MeOH Me1 5347 4.598 1.062 1.720 0.2278 -0.1550 0.0952
1783MeOH O2 5348 4.675 1.012 1.597 0.0487 -0.0029 -0.0797
1783MeOH H3 5349 4.730 1.088 1.562 -0.8575 0.3665 -0.7414
1784MeOH Me1 5350 0.519 2.842 8.856 0.0819 0.1767 -0.3983
1784MeOH O2 5351 0.386 2.783 8.810 0.0501 0.0125 -0.0975
1784MeOH H3 5352 0.384 2.686 8.835 -0.4721 0.3815 1.4387
1785MeOH Me1 5353 1.025 2.460 9.514 -0.5278 0.0503 -0.0049
1785MeOH O2 5354 0.906 2.554 9.495 -0.1966 0.4276 -0.2226
1785MeOH H3 5355 0.928 2.642 9.539 -1.0511 -0.5065 2.2715
1786MeOH Me1 5356 3.753 1.576 7.761 0.3144 -0.8196 -0.9067
1786MeOH O2 5357 3.619 1.510 7.731 0.0289 -0.5382 -0.3219
1786MeOH H3 5358 3.606 1.508 7.631 -2.4438 3.6182 -0.3351
1787MeOH Me1 5359 1.152 0.242 0.657 -0.0376 0.8037 0.8783
1787MeOH O2 5360 1.049 0.128 0.664 0.5081 0.2515 0.1029
1787MeOH H3 5361 1.007 0.118 0.575 0.2595 0.9635 0.1294
1788MeOH Me1 5362 -0.065 0.838 6.315 -0.0556 -0.5534 0.2945
1788MeOH O2 5363 0.065 0.871 6.241 -0.4667 -0.0304 -0.1909
1788MeOH H3 5364 0.070 0.970 6.228 -0.1852 0.1441 1.1357
1789MeOH Me1 5365 1.862 1.088 4.672 0.3202 0.1467 -0.0163
1789MeOH O2 5366 1.869 1.093 4.519 0.2562 0.5998 -0.0041
1789MeOH H3 5367 1.948 1.039 4.489 0.0114 0.3611 -0.2194
1790MeOH Me1 5368 2.241 2.981 0.779 0.5707 -0.3293 0.1222
1790MeOH O2 5369 2.329 3.038 0.668 0.3934 -0.3090 -0.0060
1790MeOH H3 5370 2.386 2.964 0.631 -0.2992 -0.5093 -0.7156
1791MeOH Me1 5371 0.248 3.036 4.277 0.2079 0.1606 0.1435
1791MeOH O2 5372 0.280 3.142 4.383 -0.0306 -0.0357 0.4156
1791MeOH H3 5373 0.214 3.134 4.457 0.2441 -0.6574 0.6003
1792MeOH Me1 5374 3.633 0.995 2.685 0.1135 -0.0995 0.6052
1792MeOH O2 5375 3.600 0.863 2.615 -0.7361 0.2346 0.3538
1792MeOH H3 5376 3.643 0.864 2.525 -0.3934 -0.0268 0.5109
1793MeOH Me1 5377 4.167 1.044 1.576 0.4966 -0.3425 -0.1991
1793MeOH O2 5378 4.211 1.025 1.721 -0.1187 0.0212 0.0407
1793MeOH H3 5379 4.259 0.937 1.728 -1.7679 -0.8680 0.8439
1794MeOH Me1 5380 4.603 0.322 1.462 -0.0068 -0.3151 -0.1750
1794MeOH O2 5381 4.556 0.305 1.606 -0.2258 -0.0515 -0.2161
1794MeOH H3 5382 4.514 0.215 1.616 -0.0088 -0.1340 -0.0508
1795MeOH Me1 5383 0.648 3.426 10.002 -0.0110 -0.2080 0.6466
1795MeOH O2 5384 0.508 3.435 10.062 -0.2207 0.7470 0.0376
1795MeOH H3 5385 0.507 3.384 10.148 -0.8647 0.9831 0.1726
1796MeOH Me1 5386 0.678 2.814 9.564 0.6191 0.2094 -0.2734
1796MeOH O2 5387 0.716 2.908 9.449 0.0463 0.4613 -0.2626
1796MeOH H3 5388 0.634 2.956 9.419 -0.3728 -0.4456 -0.6238
1797MeOH Me1 5389 3.616 2.256 8.808 0.1045 0.3295 -0.0447
1797MeOH O2 5390 3.704 2.226 8.930 -0.2892 -0.6927 -0.0044
1797MeOH H3 5391 3.672 2.141 8.972 -1.0913 -0.4946 -0.2033
1798MeOH Me1 5392 2.498 3.857 2.792 -0.1628 0.3583 0.3248
1798MeOH O2 5393 2.471 3.717 2.736 0.6337 0.0032 0.8230
1798MeOH H3 5394 2.536 3.699 2.663 -0.1342 0.6813 -0.0441
1799MeOH Me1 5395 4.887 4.489 0.262 0.1813 0.3724 0.0603
1799MeOH O2 5396 4.792 4.458 0.147 0.5180 -0.4120 -0.0118
1799MeOH H3 5397 4.772 4.543 0.098 -1.1725 -0.3353 0.7615
1800MeOH Me1 5398 4.682 1.304 0.935 -0.0317 0.5966 -0.2379
1800MeOH O2 5399 4.828 1.297 0.891 0.0627 0.4791 0.0906
1800MeOH H3 5400 4.880 1.247 0.960 -0.5880 -1.7428 -0.9547
1801MeOH Me1 5401 3.725 3.769 3.169 0.2690 -0.2969 -0.3387
1801MeOH O2 5402 3.762 3.900 3.240 -0.1967 -0.3420 -0.0134
1801MeOH H3 5403 3.743 3.889 3.337 1.3520 -1.2208 0.2195
1802MeOH Me1 5404 1.495 1.301 9.486 -0.2799 0.4605 -0.2984
1802MeOH O2 5405 1.425 1.175 9.433 -0.1684 0.2944 -0.0531
1802MeOH H3 5406 1.457 1.159 9.340 0.6438 -0.4621 0.3417
1803MeOH Me1 5407 1.012 0.130 2.678 0.4949 -0.8689 -0.0639
1803MeOH O2 5408 1.058 0.104 2.822 0.0802 -0.4757 0.1428
1803MeOH H3 5409 0.981 0.123 2.884 -0.2221 -0.6874 -0.1617
1804MeOH Me1 5410 0.389 1.569 6.986 -0.7096 0.5207 -0.2482
1804MeOH O2 5411 0.507 1.658 6.946 -0.5247 0.3182 -0.1523
1804MeOH H3 5412 0.497 1.747 6.992 0.8421 -0.4570 1.7849
1805MeOH Me1 5413 2.531 4.175 0.979 0.5382 0.4044 -0.2755
1805MeOH O2 5414 2.378 4.175 0.984 0.5389 -0.5672 -0.2402
1805MeOH H3 5415 2.343 4.181 0.890 0.4801 -0.1432 -0.1902
1806MeOH Me1 5416 4.541 2.907 11.035 0.4041 -0.5657 -0.2385
1806MeOH O2 5417 4.524 2.914 10.883 0.3610 0.2632 -0.1991
1806MeOH H3 5418 4.584 2.846 10.841 -0.6174 -0.4147 -0.5209
1807MeOH Me1 5419 2.598 0.576 1.086 -0.2186 0.5634 0.7117
1807MeOH O2 5420 2.450 0.615 1.077 -0.3495 -0.2136 -0.7305
1807MeOH H3 5421 2.399 0.537 1.041 -0.0480 -1.6750 1.7689
1808MeOH Me1 5422 3.964 2.176 2.038 0.0759 -0.3407 0.2497
1808MeOH O2 5423 3.962 2.325 2.006 -0.0262 -0.3640 0.1475
1808MeOH H3 5424 3.881 2.345 1.950 0.2980 -0.5655 -0.3999
1809MeOH Me1 5425 0.167 2.534 2.035 -0.3040 0.1962 -0.2967
1809MeOH O2 5426 0.162 2.597 1.896 0.0096 0.0431 -0.3795
1809MeOH H3 5427 0.068 2.629 1.879 0.6855 2.8836 0.6476
1810MeOH Me1 5428 3.021 0.021 4.468 -0.8490 0.0993 0.5698
1810MeOH O2 5429 2.936 0.036 4.342 0.7684 0.0836 -0.5579
1810MeOH H3 5430 2.874 -0.042 4.335 1.4468 -0.3849 -1.8468
1811MeOH Me1 5431 1.926 1.984 4.130 -0.3271 0.1128 0.1440
1811MeOH O2 5432 2.013 1.925 4.018 -0.0035 -0.0864 0.4985
1811MeOH H3 5433 1.954 1.905 3.940 0.5456 1.6775 -0.4004
1812MeOH Me1 5434 0.209 0.858 2.801 0.0004 0.1969 -0.0819
1812MeOH O2 5435 0.357 0.891 2.779 0.2069 -0.2600 0.5916
1812MeOH H3 5436 0.408 0.863 2.860 -0.5597 1.5925 1.7642
1813MeOH Me1 5437 0.690 3.415 7.209 -0.0354 0.1607 -0.1418
1813MeOH O2 5438 0.762 3.446 7.340 -0.1262 0.2671 -0.1173
1813MeOH H3 5439 0.791 3.542 7.339 -1.5133 0.7298 0.4769
1814MeOH Me1 5440 4.410 4.353 11.013 0.4416 0.0460 0.3644
1814MeOH O2 5441 4.537 4.317 10.936 0.1451 0.1876 -0.2228
1814MeOH H3 5442 4.615 4.326 10.998 0.4104 0.3076 -0.5729
1815MeOH Me1 5443 4.780 3.528 3.493 -0.0185 0.4222 -0.8215
1815MeOH O2 5444 4.648 3.604 3.481 -0.0975 0.3790 -0.2801
1815MeOH H3 5445 4.651 3.659 3.397 0.0880 1.4460 0.3968
1816MeOH Me1 5446 3.188 1.491 5.490 -0.7395 0.2386 -0.4494
1816MeOH O2 5447 3.143 1.615 5.568 -0.8517 -0.0117 -0.1176
1816MeOH H3 5448 3.121 1.586 5.662 0.7652 -0.0202 0.2956
1817MeOH Me1 5449 2.794 3.727 7.339 0.2554 0.0761 0.4945
1817MeOH O2 5450 2.811 3.684 7.194 -0.5586 0.5059 0.2647
1817MeOH H3 5451 2.809 3.765 7.136 -1.2605 0.6418 0.4787
1818MeOH Me1 5452 3.489 -0.077 10.484 -0.2739 -0.1185 0.2059
1818MeOH O2 5453 3.576 0.049 10.491 -0.3759 -0.0296 -0.1185
1818MeOH H3 5454 3.634 0.043 10.572 0.3540 -0.2459 -0.6453
1819MeOH Me1 5455 1.607 0.299 9.563 -0.2565 -1.1241 -0.6328
1819MeOH O2 5456 1.713 0.260 9.460 0.5659 0.2952 -0.3478
1819MeOH H3 5457 1.670 0.203 9.390 1.6321 -0.8379 -0.1172
1820MeOH Me1 5458 0.938 0.791 3.574 0.0109 -0.0756 0.3882
1820MeOH O2 5459 0.898 0.793 3.721 0.0057 -0.7992 0.3988
1820MeOH H3 5460 0.834 0.718 3.738 0.6001 -1.3640 0.2003
1821MeOH Me1 5461 0.267 0.963 5.193 -0.2968 -0.5917 -0.0558
1821MeOH O2 5462 0.207 0.863 5.291 -0.3366 -0.3219 0.1976
1821MeOH H3 5463 0.111 0.886 5.305 -0.3920 -0.3964 -0.0532
1822MeOH Me1 5464 2.459 3.470 1.664 -0.4978 -0.4461 -0.1257
1822MeOH O2 5465 2.544 3.597 1.672 -0.9004 -0.1785 -0.2067
1822MeOH H3 5466 2.639 3.573 1.650 -0.8797 0.1682 -0.4929
1823MeOH Me1 5467 3.838 3.756 8.007 -0.2344 -0.3221 -0.4738
1823MeOH O2 5468 3.828 3.616 8.067 -0.8036 -0.2620 -0.4211
1823MeOH H3 5469 3.741 3.608 8.116 -0.5987 0.2886 0.0382
1824MeOH Me1 5470 1.931 2.086 29.657 0.7704 -0.3924 -0.1935
1824MeOH O2 5471 1.925 1.996 29.534 0.6955 -0.0387 -0.4477
1824MeOH H3 5472 1.961 2.048 29.456 1.4642 -0.1054 -0.1463
1825MeOH Me1 5473 3.443 1.448 9.695 0.4962 0.1944 -0.5581
1825MeOH O2 5474 3.348 1.380 9.596 0.1334 -0.5272 0.2758
1825MeOH H3 5475 3.313 1.449 9.532 0.8665 -1.1878 -0.8708
1826MeOH Me1 5476 2.254 4.118 2.551 0.3224 0.5154 -0.6503
1826MeOH O2 5477 2.251 4.257 2.615 -0.3728 0.0736 0.3020
1826MeOH H3 5478 2.236 4.325 2.544 -2.3278 0.4000 0.9624
1827MeOH Me1 5479 3.228 0.885 10.754 -0.0474 0.0178 0.3649
1827MeOH O2 5480 3.298 0.764 10.817 0.3648 0.0818 0.0270
1827MeOH H3 5481 3.390 0.792 10.846 -0.1937 0.6698 1.3030
1828MeOH Me1 5482 2.340 2.906 6.617 0.3666 0.1722 -0.1463
1828MeOH O2 5483 2.263 2.988 6.722 0.4220 0.1072 -0.0547
1828MeOH H3 5484 2.233 3.073 6.680 2.8255 1.4475 0.7550
1829MeOH Me1 5485 3.451 0.856 6.935 -0.2487 0.8680 -0.2372
1829MeOH O2 5486 3.404 0.800 6.801 -0.2179 0.8568 -0.2443
1829MeOH H3 5487 3.304 0.808 6.796 -0.5129 -1.4530 0.8118
1830MeOH Me1 5488 2.863 0.574 0.161 -0.6876 -0.3325 -0.1850
1830MeOH O2 5489 2.752 0.651 0.089 -0.2070 0.4494 -0.0978
1830MeOH H3 5490 2.741 0.741 0.133 0.4055 0.4985 -0.0431
1831MeOH Me1 5491 0.306 3.374 29.753 -0.2424 -0.0428 -0.1741
1831MeOH O2 5492 0.173 3.385 29.828 0.1679 0.2235 0.5305
1831MeOH H3 5493 0.192 3.407 29.923 0.7706 -1.0350 0.7223
1832MeOH Me1 5494 4.024 2.997 9.075 0.0411 0.0326 -0.0093
1832MeOH O2 5495 4.049 2.920 8.945 0.5333 0.0640 0.0650
1832MeOH H3 5496 4.008 2.829 8.954 0.6302 0.0092 -0.0569
1833MeOH Me1 5497 2.767 2.886 0.945 0.0311 -0.1596 0.4013
1833MeOH O2 5498 2.662 2.986 0.894 0.5152 0.3096 0.3108
1833MeOH H3 5499 2.631 2.957 0.804 -0.4897 -0.3000 0.8289
1834MeOH Me1 5500 2.997 2.523 0.756 -0.6111 -0.3180 -0.3512
1834MeOH O2 5501 3.129 2.531 0.680 -0.0545 0.2941 0.6497
1834MeOH H3 5502 3.111 2.510 0.584 1.1022 -1.8936 0.8572
1835MeOH Me1 5503 1.444 3.860 9.246 -0.3137 -0.6576 -0.1367
1835MeOH O2 5504 1.479 3.772 9.366 -0.0597 -0.1653 0.1491
1835MeOH H3 5505 1.574 3.741 9.356 -0.2682 -0.6964 -0.2295
1836MeOH Me1 5506 3.250 2.306 1.490 0.3395 -0.4136 -0.1120
1836MeOH O2 5507 3.205 2.166 1.530 -0.0244 -0.2813 -0.0575
1836MeOH H3 5508 3.237 2.101 1.462 -2.3157 -0.1018 -1.3939
1837MeOH Me1 5509 2.637 4.666 0.074 0.4062 -0.0689 -0.2787
1837MeOH O2 5510 2.745 4.727 -0.016 0.3586 -0.0706 -0.3374
1837MeOH H3 5511 2.835 4.701 0.020 0.3973 0.9119 0.3076
1838MeOH Me1 5512 1.413 1.465 6.938 0.4111 0.5497 -0.1847
1838MeOH O2 5513 1.326 1.423 6.819 0.1875 -0.1574 0.2243
1838MeOH H3 5514 1.270 1.501 6.791 -0.6837 -0.6497 0.5500
1839MeOH Me1 5515 3.541 1.255 7.988 0.6818 0.2106 0.4352
1839MeOH O2 5516 3.510 1.256 8.138 0.0998 -0.1554 0.3186
1839MeOH H3 5517 3.426 1.309 8.153 0.3348 0.2567 0.1790
1840MeOH Me1 5518 3.238 0.991 1.908 0.4368 0.4263 -0.2683
1840MeOH O2 5519 3.228 1.073 2.037 -0.7243 0.6514 -0.4915
1840MeOH H3 5520 3.235 1.170 2.014 -1.5815 0.6717 -0.7018
1841MeOH Me1 5521 4.714 2.182 6.464 0.3695 0.1465 0.1309
1841MeOH O2 5522 4.688 2.212 6.316 -0.0249 0.1399 0.1989
1841MeOH H3 5523 4.596 2.250 6.307 -0.3483 -0.5800 0.3495
1842MeOH Me1 5524 1.882 2.452 9.396 -0.0779 0.3651 0.5880
1842MeOH O2 5525 1.739 2.407 9.429 -0.4369 0.9968 -0.0836
1842MeOH H3 5526 1.719 2.325 9.377 -1.8497 3.0140 -2.9834
1843MeOH Me1 5527 3.599 0.156 5.994 0.0716 -0.9649 0.3240
1843MeOH O2 5528 3.518 0.128 6.120 -0.5284 -0.2955 0.0909
1843MeOH H3 5529 3.421 0.128 6.096 -0.3936 -1.0992 -0.5323
1844MeOH Me1 5530 3.518 3.234 0.213 -0.0337 -0.4421 -0.0395
1844MeOH O2 5531 3.671 3.230 0.209 -0.0053 -0.1215 0.6664
1844MeOH H3 5532 3.704 3.201 0.299 -0.3695 -0.3115 0.7400
1845MeOH Me1 5533 0.107 0.288 10.374 0.1888 -0.0102 0.0543
1845MeOH O2 5534 -0.026 0.355 10.411 -0.0319 -0.3433 -0.1325
1845MeOH H3 5535 -0.028 0.367 10.510 0.4122 0.9255 -0.2564
1846MeOH Me1 5536 4.620 4.342 0.450 -0.1253 -0.2799 -0.2560
1846MeOH O2 5537 4.630 4.265 0.582 0.0687 0.6379 0.2737
1846MeOH H3 5538 4.633 4.167 0.562 -0.3036 0.4748 0.9781
1847MeOH Me1 5539 3.842 4.404 29.929 0.3719 -0.1582 -0.6533
1847MeOH O2 5540 3.980 4.338 29.930 0.1148 -0.6974 0.0214
1847MeOH H3 5541 3.973 4.249 29.885 0.2485 -0.1175 -1.1711
1848MeOH Me1 5542 1.793 1.883 3.506 -0.2007 0.0265 0.0512
1848MeOH O2 5543 1.742 1.978 3.615 0.1185 -0.4499 0.6223
1848MeOH H3 5544 1.731 2.069 3.575 0.4853 -0.1594 1.1701
1849MeOH Me1 5545 1.609 3.372 5.587 0.2367 0.1795 -0.4814
1849MeOH O2 5546 1.576 3.488 5.494 0.4083 0.2137 -0.5009
1849MeOH H3 5547 1.489 3.469 5.449 0.1754 0.5228 -0.1901
1850MeOH Me1 5548 1.773 4.249 10.669 0.0987 0.1252 -0.0977
1850MeOH O2 5549 1.682 4.263 10.547 0.0772 0.0721 -0.0879
1850MeOH H3 5550 1.732 4.315 10.477 0.5674 -1.0909 -0.6216
1851MeOH Me1 5551 1.997 0.705 2.608 -0.0107 -0.0282 -0.4837
1851MeOH O2 5552 2.137 0.707 2.547 0.0886 -0.2214 -0.2684
1851MeOH H3 5553 2.148 0.627 2.489 -0.1710 0.0948 -0.7675
1852MeOH Me1 5554 0.369 0.537 4.108 -0.6756 0.5389 -0.0892
1852MeOH O2 5555 0.261 0.431 4.124 -0.4088 0.3566 0.5411
1852MeOH H3 5556 0.305 0.341 4.121 -0.2065 0.4432 0.8744
1853MeOH Me1 5557 1.427 4.938 10.608 -0.3574 -0.2834 -0.1454
1853MeOH O2 5558 1.313 4.967 10.706 0.1831 0.2441 0.3441
1853MeOH H3 5559 1.226 4.959 10.656 -0.0489 1.2866 0.5542
1854MeOH Me1 5560 4.142 5.018 9.360 -0.6289 0.2807 0.4715
1854MeOH O2 5561 4.021 5.021 9.266 -0.4860 0.2312 0.2847
1854MeOH H3 5562 4.046 4.974 9.182 -0.6115 -0.5204 0.6541
1855MeOH Me1 5563 0.505 2.427 5.066 -0.3841 0.1141 -0.3405
1855MeOH O2 5564 0.423 2.299 5.079 -0.1304 -0.0301 -0.1511
1855MeOH H3 5565 0.481 2.228 5.118 -0.2297 0.3840 0.7967
1856MeOH Me1 5566 3.312 4.014 8.258 0.0109 0.4504 -0.3958
1856MeOH O2 5567 3.171 3.959 8.235 -0.1505 0.8677 -0.4171
1856MeOH H3 5568 3.149 3.897 8.310 0.7549 -1.2577 -1.8333
1857MeOH Me1 5569 2.282 4.408 0.376 0.4944 0.4840 0.2251
1857MeOH O2 5570 2.238 4.311 0.267 -0.2077 0.8644 0.1711
1857MeOH H3 5571 2.138 4.313 0.261 -0.3338 -0.0250 1.6570
1858MeOH Me1 5572 3.075 3.065 10.156 -0.3901 0.6999 -1.0180
1858MeOH O2 5573 3.026 3.171 10.255 -0.1365 0.0509 -0.1928
1858MeOH H3 5574 2.979 3.243 10.204 -1.5504 -0.3134 0.5159
1859MeOH Me1 5575 4.413 4.113 29.465 -0.5443 -0.3378 -0.1084
1859MeOH O2 5576 4.398 4.257 29.513 -0.0215 -0.4197 0.3087
1859MeOH H3 5577 4.437 4.264 29.605 1.0760 -0.5583 -0.1324
1860MeOH Me1 5578 4.538 1.963 10.202 -0.1668 0.2619 -0.1153
1860MeOH O2 5579 4.525 1.928 10.054 0.3167 -0.2598 -0.0369
1860MeOH H3 5580 4.609 1.883 10.025 1.5177 1.9644 -0.2341
1861MeOH Me1 5581 0.683 4.820 0.704 -0.0535 0.0678 0.1927
1861MeOH O2 5582 0.815 4.798 0.628 -0.1851 0.0060 -0.0184
1861MeOH H3 5583 0.888 4.844 0.678 -0.0947 0.0317 -0.1737
1862MeOH Me1 5584 0.587 0.624 30.052 -0.0459 -0.0531 0.1441
1862MeOH O2 5585 0.654 0.725 29.958 -0.1867 -0.1322 -0.0418
1862MeOH H3 5586 0.584 0.789 29.926 -0.2181 -0.0999 0.0883
1863MeOH Me1 5587 1.277 0.743 6.335 0.1457 0.2923 -0.4533
1863MeOH O2 5588 1.353 0.613 6.363 -0.1574 0.1768 -0.1652
1863MeOH H3 5589 1.378 0.611 6.460 1.4864 1.2236 -0.5272
1864MeOH Me1 5590 0.624 4.338 8.445 0.2598 0.0360 0.1834
1864MeOH O2 5591 0.699 4.355 8.313 0.1181 0.7894 0.1908
1864MeOH H3 5592 0.724 4.264 8.279 -2.5782 0.7310 -1.9058
1865MeOH Me1 5593 1.172 2.591 4.229 -0.5858 -0.0447 -0.1261
1865MeOH O2 5594 1.237 2.452 4.235 -0.2134 0.0911 -0.8534
1865MeOH H3 5595 1.314 2.450 4.172 -0.7541 0.3445 -1.5320
1866MeOH Me1 5596 2.363 3.779 1.354 -0.1992 -0.5485 0.3877
1866MeOH O2 5597 2.347 3.650 1.273 -0.0051 -0.4556 0.1995
1866MeOH H3 5598 2.259 3.652 1.227 0.6845 0.2155 -1.1293
1867MeOH Me1 5599 4.924 1.384 9.088 -0.0559 0.0801 -0.2228
1867MeOH O2 5600 4.913 1.536 9.102 0.7339 0.1627 -0.4583
1867MeOH H3 5601 4.840 1.568 9.042 0.4475 0.3645 -0.0088
1868MeOH Me1 5602 4.235 1.141 6.161 0.1790 -0.4848 -0.3327
1868MeOH O2 5603 4.135 1.231 6.089 0.2913 0.1449 0.3168
1868MeOH H3 5604 4.154 1.228 5.990 0.8722 1.5789 0.3578
1869MeOH Me1 5605 1.572 3.971 8.450 0.0863 0.4326 -0.3011
1869MeOH O2 5606 1.473 4.029 8.552 0.0435 0.3033 -0.2688
1869MeOH H3 5607 1.411 4.091 8.504 -0.0470 0.2298 -0.2461
1870MeOH Me1 5608 2.020 4.497 0.800 0.3674 0.2502 -0.4626
1870MeOH O2 5609 2.055 4.638 0.846 -0.4916 0.3953 -0.2396
1870MeOH H3 5610 2.114 4.680 0.777 -0.0050 0.5343 0.2586
1871MeOH Me1 5611 2.550 1.603 0.754 0.7084 -0.0832 -0.1820
1871MeOH O2 5612 2.589 1.706 0.648 0.5674 -0.3067 -0.4547
1871MeOH H3 5613 2.568 1.669 0.558 -2.1674 0.5813 -0.2671
1872MeOH Me1 5614 1.391 2.876 3.990 -0.1442 0.5061 0.2245
1872MeOH O2 5615 1.514 2.930 3.917 0.1984 -0.0200 0.4043
1872MeOH H3 5616 1.596 2.893 3.961 -0.0287 -0.5784 0.3609
1873MeOH Me1 5617 0.950 2.869 5.637 0.2753 -0.2101 -0.3631
1873MeOH O2 5618 1.062 2.951 5.574 0.3134 0.2572 0.2937
1873MeOH H3 5619 1.034 2.977 5.481 0.7407 0.1357 0.1252
1874MeOH Me1 5620 4.281 0.515 5.217 0.2419 -0.1490 -0.2607
1874MeOH O2 5621 4.275 0.475 5.069 0.2390 -0.1073 -0.2732
1874MeOH H3 5622 4.314 0.549 5.014 -1.2766 0.6354 -0.4061
1875MeOH Me1 5623 0.887 2.448 2.372 0.1893 0.0297 -0.4383
1875MeOH O2 5624 0.983 2.512 2.473 -0.4677 0.5976 -0.1663
1875MeOH H3 5625 1.035 2.439 2.517 0.2892 0.9403 -0.4737
1876MeOH Me1 5626 2.074 0.736 7.553 -0.4471 0.0576 -0.1023
1876MeOH O2 5627 2.144 0.722 7.417 -0.7867 0.2410 -0.2993
1876MeOH H3 5628 2.085 0.669 7.357 -1.7012 1.7442 -0.7845
1877MeOH Me1 5629 4.161 2.471 3.389 0.1595 -0.2093 -0.2360
1877MeOH O2 5630 4.063 2.549 3.301 0.2061 -0.1241 -0.2117
1877MeOH H3 5631 3.999 2.598 3.361 -0.1689 -0.6173 -0.2028
1878MeOH Me1 5632 3.324 1.124 2.401 0.0358 -0.6001 -0.1841
1878MeOH O2 5633 3.218 1.136 2.291 -0.1902 -0.0183 0.0893
1878MeOH H3 5634 3.255 1.097 2.207 -0.4195 0.3176 -0.1683
1879MeOH Me1 5635 1.278 0.162 1.282 -0.2411 -0.1131 0.0684
1879MeOH O2 5636 1.342 0.300 1.269 0.7140 -0.5516 0.0671
1879MeOH H3 5637 1.371 0.313 1.175 -0.8631 -0.0277 -0.3701
1880MeOH Me1 5638 4.702 3.783 3.149 -0.2910 -0.1800 -0.4515
1880MeOH O2 5639 4.581 3.738 3.231 -0.0304 -0.4071 -0.2174
1880MeOH H3 5640 4.503 3.795 3.206 0.2453 0.7129 1.2783
1881MeOH Me1 5641 2.047 2.970 21.891 0.3245 0.0866 0.3122
1881MeOH O2 5642 2.079 3.088 21.798 0.3214 -0.3944 -0.3200
1881MeOH H3 5643 2.164 3.068 21.750 1.0542 -0.0700 0.8037
1882MeOH Me1 5644 1.559 2.302 8.090 0.7728 -0.6842 0.4132
1882MeOH O2 5645 1.567 2.379 7.958 -0.2847 -0.5619 0.4066
1882MeOH H3 5646 1.479 2.421 7.940 -0.7469 -1.4044 0.6337
1883MeOH Me1 5647 1.871 3.136 1.375 0.2704 -0.0920 -0.3030
1883MeOH O2 5648 1.922 3.000 1.422 0.7480 0.2410 0.1617
1883MeOH H3 5649 1.879 2.929 1.366 -0.2878 -0.2185 1.4923
1884MeOH Me1 5650 4.805 2.570 0.909 0.2089 0.1853 -0.0697
1884MeOH O2 5651 4.653 2.570 0.893 0.2471 -0.0641 -0.4497
1884MeOH H3 5652 4.629 2.618 0.809 0.3788 -0.1263 -0.5221
1885MeOH Me1 5653 2.581 3.228 7.877 0.5627 0.1736 0.1635
1885MeOH O2 5654 2.459 3.222 7.969 0.3343 0.4852 -0.1208
1885MeOH H3 5655 2.377 3.230 7.912 0.3918 -1.9115 -0.6140
1886MeOH Me1 5656 3.357 2.739 5.111 -0.7760 -0.0982 -0.0327
1886MeOH O2 5657 3.468 2.734 5.006 -0.0337 0.0847 0.7295
1886MeOH H3 5658 3.477 2.825 4.965 -1.7952 -0.4792 -1.1149
1887MeOH Me1 5659 3.332 0.246 1.098 -0.0536 0.0769 -0.0344
1887MeOH O2 5660 3.191 0.239 1.039 -0.2036 0.2073 0.3087
1887MeOH H3 5661 3.133 0.186 1.101 -0.1480 0.4137 0.5380
1888MeOH Me1 5662 4.256 0.653 29.834 0.4487 -0.6079 0.2161
1888MeOH O2 5663 4.388 0.724 29.804 0.4184 -0.7587 -0.2688
1888MeOH H3 5664 4.423 0.764 29.888 -0.2650 0.9787 -0.7577
1889MeOH Me1 5665 1.470 1.096 8.210 -0.0445 -0.4294 -0.5752
1889MeOH O2 5666 1.336 1.165 8.183 0.0629 0.3373 0.7621
1889MeOH H3 5667 1.353 1.263 8.171 1.0432 -0.1266 -2.6687
1890MeOH Me1 5668 3.765 3.585 6.331 -0.3653 -0.3810 -0.0378
1890MeOH O2 5669 3.706 3.686 6.430 -0.0060 -0.2493 0.0440
1890MeOH H3 5670 3.664 3.636 6.506 -0.9886 -0.1933 -0.4519
1891MeOH Me1 5671 4.221 2.276 0.378 0.6035 0.1072 -0.2417
1891MeOH O2 5672 4.295 2.396 0.439 -0.0492 0.4400 -0.1038
1891MeOH H3 5673 4.360 2.431 0.371 -0.2385 0.8777 -0.0643
1892MeOH Me1 5674 2.398 0.167 9.029 0.2645 0.6153 0.7387
1892MeOH O2 5675 2.477 0.049 9.088 -0.0406 0.1296 0.1886
1892MeOH H3 5676 2.570 0.053 9.052 0.9110 1.9175 2.5813
1893MeOH Me1 5677 0.026 2.975 10.635 0.4368 -0.5451 -1.0829
1893MeOH O2 5678 -0.020 3.114 10.592 -0.2806 -0.4562 -0.0853
1893MeOH H3 5679 0.020 3.182 10.654 -1.9547 -0.7713 1.4151
1894MeOH Me1 5680 1.470 3.854 5.332 -0.4475 0.3212 0.2324
1894MeOH O2 5681 1.581 3.957 5.352 -0.0405 -0.1144 0.2237
1894MeOH H3 5682 1.640 3.956 5.271 0.3730 -0.8529 0.5199
1895MeOH Me1 5683 3.351 3.476 10.160 0.1084 -0.3051 -0.4939
1895MeOH O2 5684 3.267 3.592 10.103 0.1460 -0.2923 -0.5230
1895MeOH H3 5685 3.274 3.669 10.166 -0.7331 -0.6505 0.0347
1896MeOH Me1 5686 1.981 4.947 9.301 0.0114 -0.4438 -0.2377
1896MeOH O2 5687 1.834 4.903 9.299 -0.1477 0.0650 0.1272
1896MeOH H3 5688 1.825 4.823 9.359 0.2187 -1.4216 -1.7079
1897MeOH Me1 5689 2.097 4.959 1.364 -0.2918 0.4862 -0.1781
1897MeOH O2 5690 2.161 5.009 1.234 -0.3228 -0.0542 -0.4042
1897MeOH H3 5691 2.140 4.944 1.161 0.2380 -0.7165 0.0163
1898MeOH Me1 5692 3.864 2.274 4.041 -0.4841 -0.0357 -0.1520
1898MeOH O2 5693 4.001 2.289 3.974 -0.4304 -0.0244 -0.0437
1898MeOH H3 5694 4.058 2.210 4.000 0.6065 1.3862 2.4062
1899MeOH Me1 5695 2.520 1.760 4.929 0.2238 -0.0344 0.0485
1899MeOH O2 5696 2.606 1.861 5.006 -0.0034 0.2054 -0.0132
1899MeOH H3 5697 2.605 1.836 5.103 0.2381 0.1295 -0.0300
1900MeOH Me1 5698 1.623 2.410 5.303 0.0440 -0.2891 0.0584
1900MeOH O2 5699 1.541 2.369 5.181 -0.2934 -0.4724 0.3452
1900MeOH H3 5700 1.583 2.288 5.140 -0.2567 -0.3825 0.2027
1901MeOH Me1 5701 4.986 4.521 0.774 0.0605 0.6841 0.3927
1901MeOH O2 5702 4.852 4.596 0.772 -0.0407 0.4896 -0.1443
1901MeOH H3 5703 4.851 4.657 0.693 0.1708 0.4551 -0.1748
1902MeOH Me1 5704 3.370 3.383 9.479 0.2421 -0.5548 -0.0499
1902MeOH O2 5705 3.287 3.264 9.528 0.4773 -0.9135 -0.5139
1902MeOH H3 5706 3.260 3.281 9.623 -2.0301 0.0327 -1.3081
1903MeOH Me1 5707 1.598 1.176 2.699 0.4091 -0.0572 0.2001
1903MeOH O2 5708 1.733 1.157 2.631 0.3834 -0.0744 0.1536
1903MeOH H3 5709 1.805 1.172 2.699 0.4195 0.4825 -0.0092
1904MeOH Me1 5710 0.519 1.432 1.235 -0.1521 -0.0933 0.4497
1904MeOH O2 5711 0.434 1.340 1.147 0.2505 -0.3724 0.3505
1904MeOH H3 5712 0.455 1.358 1.051 1.3644 -1.3189 0.4001
1905MeOH Me1 5713 -0.089 2.337 29.519 0.3050 0.7962 0.4612
1905MeOH O2 5714 0.029 2.254 29.572 0.0274 0.1400 0.0671
1905MeOH H3 5715 0.114 2.303 29.551 0.1105 0.7712 1.7296
1906MeOH Me1 5716 0.713 0.096 2.994 -0.0647 -0.0176 0.2867
1906MeOH O2 5717 0.851 0.161 3.006 -0.0659 0.0306 0.2346
1906MeOH H3 5718 0.850 0.223 3.085 0.4506 -1.2590 1.2924
1907MeOH Me1 5719 2.703 4.815 29.642 -0.1629 0.5020 0.1137
1907MeOH O2 5720 2.622 4.735 29.744 -0.2709 0.5946 0.0986
1907MeOH H3 5721 2.678 4.720 29.825 -0.7913 1.8315 0.7332
1908MeOH Me1 5722 1.920 3.998 5.184 0.1515 -0.6729 0.7261
1908MeOH O2 5723 1.771 3.979 5.151 0.2951 -0.0094 -0.3427
1908MeOH H3 5724 1.759 3.890 5.107 0.2952 0.3120 -1.0096
1909MeOH Me1 5725 2.634 4.400 3.273 0.0044 -0.3018 -0.2548
1909MeOH O2 5726 2.672 4.541 3.227 -0.3298 -0.1533 -0.0805
1909MeOH H3 5727 2.612 4.607 3.272 -1.1626 -0.4229 -0.7851
1910MeOH Me1 5728 1.737 2.787 4.223 0.3419 0.0974 0.3118
1910MeOH O2 5729 1.728 2.836 4.078 0.4047 -0.7115 0.0282
1910MeOH H3 5730 1.806 2.896 4.060 -0.3281 0.3269 0.1766
1911MeOH Me1 5731 1.293 3.651 9.896 0.1107 0.6123 -0.1628
1911MeOH O2 5732 1.355 3.612 9.761 0.1969 0.1269 0.0217
1911MeOH H3 5733 1.287 3.630 9.689 -0.0320 -0.8489 -0.0203
1912MeOH Me1 5734 0.784 3.531 4.284 0.3302 -0.0954 0.6823
1912MeOH O2 5735 0.908 3.614 4.319 0.4554 0.0390 -0.0544
1912MeOH H3 5736 0.879 3.707 4.342 0.4600 -0.0699 0.3984
1913MeOH Me1 5737 2.067 1.203 10.055 0.0845 0.2908 -0.4591
1913MeOH O2 5738 2.220 1.205 10.048 0.1200 -0.2306 0.1269
1913MeOH H3 5739 2.253 1.110 10.048 -0.1890 -0.3382 0.5238
1914MeOH Me1 5740 0.503 0.162 4.884 0.2299 0.1589 -0.4414
1914MeOH O2 5741 0.437 0.029 4.845 -0.2861 0.2195 0.2202
1914MeOH H3 5742 0.446 -0.034 4.922 0.0706 0.3407 0.2792
1915MeOH Me1 5743 2.463 1.844 8.297 0.4323 -0.0527 0.2095
1915MeOH O2 5744 2.353 1.908 8.383 0.5143 0.6879 -0.2290
1915MeOH H3 5745 2.349 1.859 8.470 0.4297 1.2800 0.1010
1916MeOH Me1 5746 2.718 1.934 29.865 0.7878 0.3122 -0.1809
1916MeOH O2 5747 2.774 2.041 29.958 0.0434 0.4561 0.1076
1916MeOH H3 5748 2.785 2.002 30.049 -1.3896 0.8180 0.4613
1917MeOH Me1 5749 3.980 4.698 9.636 0.3805 0.0906 0.2184
1917MeOH O2 5750 4.082 4.642 9.536 0.2921 0.1929 0.0709
1917MeOH H3 5751 4.144 4.581 9.586 2.1199 2.3133 0.5494
1918MeOH Me1 5752 4.493 1.126 10.430 -0.2890 0.4734 -0.0950
1918MeOH O2 5753 4.388 1.232 10.401 -0.0036 0.7789 -0.0220
1918MeOH H3 5754 4.371 1.234 10.302 -1.7869 -0.8432 0.1999
1919MeOH Me1 5755 4.527 1.497 30.002 0.8195 0.2192 0.5435
1919MeOH O2 5756 4.616 1.602 29.938 0.3326 0.4974 0.3125
1919MeOH H3 5757 4.643 1.668 30.008 1.9477 -0.5299 0.7152
1920MeOH Me1 5758 2.269 2.939 7.999 0.0037 0.3323 0.1330
1920MeOH O2 5759 2.277 2.999 8.140 0.0467 0.4367 0.0862
1920MeOH H3 5760 2.372 3.026 8.158 0.4138 -1.1404 0.6874
1921MeOH Me1 5761 0.452 1.975 -0.029 0.7234 -0.3457 0.1919
1921MeOH O2 5762 0.404 1.832 -0.008 0.0689 -0.1269 0.1004
1921MeOH H3 5763 0.367 1.824 0.084 -2.0398 0.5449 -0.6173
1922MeOH Me1 5764 3.219 4.135 3.667 -0.1409 0.0736 0.5212
1922MeOH O2 5765 3.135 4.258 3.633 -0.5162 -0.3135 0.0249
1922MeOH H3 5766 3.079 4.238 3.554 -0.9162 -1.0171 0.4818
1923MeOH Me1 5767 1.258 2.088 8.737 0.4176 -0.4516 0.1170
1923MeOH O2 5768 1.239 2.003 8.612 -0.8817 0.1791 -0.1326
1923MeOH H3 5769 1.169 1.933 8.631 0.5657 -1.0614 0.8728
1924MeOH Me1 5770 4.624 0.450 9.928 -0.4122 -0.0736 -0.0281
1924MeOH O2 5771 4.753 0.390 9.871 -0.0690 0.0873 0.6048
1924MeOH H3 5772 4.831 0.439 9.909 -0.2230 -0.8981 2.2867
1925MeOH Me1 5773 0.394 3.600 7.502 0.0856 0.1156 -0.0545
1925MeOH O2 5774 0.241 3.606 7.508 0.1030 0.0251 0.6584
1925MeOH H3 5775 0.211 3.692 7.466 -0.2328 -0.9539 -1.2622
1926MeOH Me1 5776 4.487 4.893 6.332 -0.1667 0.0849 0.2183
1926MeOH O2 5777 4.563 4.921 6.462 -0.0928 -0.0746 0.2110
1926MeOH H3 5778 4.497 4.952 6.531 -0.4815 -2.6441 1.0795
1927MeOH Me1 5779 0.498 4.145 5.186 -0.4802 0.5909 -0.0476
1927MeOH O2 5780 0.424 4.091 5.308 0.1702 0.3093 0.2283
1927MeOH H3 5781 0.341 4.146 5.322 -0.2171 -0.2825 0.2664
1928MeOH Me1 5782 4.689 1.122 9.734 0.1321 -0.1162 -0.3852
1928MeOH O2 5783 4.577 1.106 9.632 0.1064 -0.4052 -0.3126
1928MeOH H3 5784 4.510 1.179 9.646 -0.5558 -1.1186 0.3441
1929MeOH Me1 5785 2.194 1.513 5.432 -0.1365 -0.1066 -0.8042
1929MeOH O2 5786 2.312 1.595 5.379 0.5252 -0.3797 0.1784
1929MeOH H3 5787 2.394 1.537 5.379 0.4298 -0.5168 1.0617
1930MeOH Me1 5788 0.243 1.631 29.212 -1.2675 0.3754 -0.4974
1930MeOH O2 5789 0.155 1.584 29.328 -0.1644 0.5134 0.4146
1930MeOH H3 5790 0.185 1.630 29.412 1.1568 0.0042 0.2345
1931MeOH Me1 5791 3.956 3.912 29.457 -0.0691 0.6032 0.0964
1931MeOH O2 5792 4.086 3.947 29.530 0.1048 0.5005 -0.1625
1931MeOH H3 5793 4.063 3.985 29.620 0.3274 -1.4245 0.7717
1932MeOH Me1 5794 3.757 2.997 9.567 0.1265 0.4736 0.0243
1932MeOH O2 5795 3.718 2.969 9.421 -0.0149 0.0806 0.1370
1932MeOH H3 5796 3.618 2.970 9.414 -0.0196 1.6616 -0.0682
1933MeOH Me1 5797 4.235 4.980 9.728 -0.2779 0.2165 0.1908
1933MeOH O2 5798 4.145 4.911 9.830 -0.0992 -0.2251 0.0546
1933MeOH H3 5799 4.201 4.852 9.888 -0.0654 -0.8702 -0.6187
1934MeOH Me1 5800 4.498 3.386 7.566 0.9147 -0.1939 0.0021
1934MeOH O2 5801 4.509 3.263 7.656 0.0500 -0.3095 -0.0415
1934MeOH H3 5802 4.458 3.280 7.740 -1.5610 -0.7793 -0.8839
1935MeOH Me1 5803 1.721 1.338 2.289 0.1932 0.0645 0.0645
1935MeOH O2 5804 1.690 1.193 2.331 -0.1800 0.2686 0.5060
1935MeOH H3 5805 1.686 1.189 2.430 0.2105 0.5069 0.5353
1936MeOH Me1 5806 4.755 2.907 4.166 0.2312 0.2522 -0.0084
1936MeOH O2 5807 4.625 2.985 4.184 0.3555 0.4645 -0.0218
1936MeOH H3 5808 4.647 3.081 4.198 0.4542 0.6684 -1.4804
1937MeOH Me1 5809 4.026 3.767 10.752 -0.6333 -0.4646 -0.1725
1937MeOH O2 5810 4.106 3.889 10.705 -0.3078 -0.6617 -0.1296
1937MeOH H3 5811 4.073 3.916 10.615 0.4243 -1.1381 -0.5557
1938MeOH Me1 5812 5.031 4.768 0.560 -0.0625 -0.2527 0.7257
1938MeOH O2 5813 4.888 4.725 0.526 0.2094 -1.1699 0.7166
1938MeOH H3 5814 4.850 4.791 0.462 -1.4624 0.6793 3.4324
1939MeOH Me1 5815 1.561 4.930 6.626 0.6520 0.3092 -0.2276
1939MeOH O2 5816 1.495 4.950 6.490 0.3127 0.0132 -0.1093
1939MeOH H3 5817 1.424 4.881 6.478 -1.8573 1.7980 1.5106
1940MeOH Me1 5818 1.225 0.970 7.796 -0.1727 -0.0358 -0.4639
1940MeOH O2 5819 1.295 0.919 7.670 -0.3526 -0.3632 -0.4332
1940MeOH H3 5820 1.260 0.828 7.648 -0.4924 -0.3572 -0.2326
1941MeOH Me1 5821 2.057 1.863 6.580 -0.7076 0.2830 -0.0957
1941MeOH O2 5822 2.022 1.777 6.459 -0.4191 0.2304 -0.1415
1941MeOH H3 5823 2.048 1.827 6.376 0.4681 -0.1162 -0.0854
1942MeOH Me1 5824 4.918 1.228 0.190 -0.0834 -0.5116 0.5291
1942MeOH O2 5825 4.800 1.326 0.180 0.0449 -0.4038 0.0161
1942MeOH H3 5826 4.734 1.289 0.115 0.9356 0.3131 -1.3512
1943MeOH Me1 5827 4.007 3.279 10.249 0.2410 -0.3645 0.3490
1943MeOH O2 5828 3.965 3.367 10.367 0.3547 0.3158 -0.1124
1943MeOH H3 5829 4.044 3.378 10.428 0.3137 0.3597 -0.0673
1944MeOH Me1 5830 3.604 1.780 3.416 -0.3475 -0.0750 0.0116
1944MeOH O2 5831 3.737 1.857 3.410 -0.4891 0.0866 -1.0827
1944MeOH H3 5832 3.740 1.921 3.486 -0.2743 0.6557 -1.5591
1945MeOH Me1 5833 0.652 0.565 8.743 0.0206 0.2986 0.1209
1945MeOH O2 5834 0.680 0.631 8.878 0.1143 -0.3002 0.4006
1945MeOH H3 5835 0.593 0.641 8.927 -0.0701 0.7851 -0.1167
1946MeOH Me1 5836 4.841 3.798 10.301 -0.6578 -0.2489 0.0028
1946MeOH O2 5837 4.848 3.951 10.311 -0.0634 -0.2846 0.1783
1946MeOH H3 5838 4.756 3.985 10.331 -0.1106 0.1107 -0.6550
1947MeOH Me1 5839 2.835 0.802 5.633 -0.2101 0.0789 0.2129
1947MeOH O2 5840 2.896 0.701 5.731 0.6519 0.4243 0.0491
1947MeOH H3 5841 2.957 0.750 5.794 -2.2270 1.5034 2.2588
1948MeOH Me1 5842 2.145 3.410 29.655 0.5607 0.5502 -0.1467
1948MeOH O2 5843 2.084 3.282 29.713 0.5854 0.3161 -0.6285
1948MeOH H3 5844 2.142 3.251 29.788 0.2399 0.4125 -0.3165
1949MeOH Me1 5845 2.301 1.661 1.882 -0.7542 -0.3449 0.4491
1949MeOH O2 5846 2.215 1.782 1.843 -0.0236 0.1294 0.2972
1949MeOH H3 5847 2.219 1.849 1.918 -1.8005 -0.9778 1.4581
1950MeOH Me1 5848 2.870 1.949 3.216 0.4506 0.0824 -0.5606
1950MeOH O2 5849 2.810 1.834 3.135 -0.0913 -0.2580 0.2995
1950MeOH H3 5850 2.849 1.748 3.167 -1.5599 -0.3720 1.9207
1951MeOH Me1 5851 2.478 4.572 5.011 0.8639 0.4293 -0.3921
1951MeOH O2 5852 2.449 4.436 4.946 0.5180 0.0244 0.5873
1951MeOH H3 5853 2.383 4.449 4.872 -1.6474 -0.7865 2.2869
1952MeOH Me1 5854 0.577 4.940 3.656 0.0271 -0.1011 0.3766
1952MeOH O2 5855 0.508 4.979 3.525 -0.2410 -0.1080 0.5172
1952MeOH H3 5856 0.542 5.068 3.496 -2.5215 1.3566 2.0430
1953MeOH Me1 5857 0.245 2.654 11.035 -0.2416 0.1978 0.2500
1953MeOH O2 5858 0.138 2.659 10.925 -0.5858 0.1760 0.5813
1953MeOH H3 5859 0.179 2.696 10.842 -0.8626 0.2214 0.4628
1954MeOH Me1 5860 3.727 1.632 4.513 -0.1871 0.0681 -0.0035
1954MeOH O2 5861 3.745 1.615 4.664 -0.4568 -0.7151 -0.0541
1954MeOH H3 5862 3.697 1.690 4.710 0.1828 -0.4561 0.2097
1955MeOH Me1 5863 2.743 0.834 4.934 0.6175 0.3953 0.0400
1955MeOH O2 5864 2.767 0.683 4.941 -0.0711 0.2903 0.1581
1955MeOH H3 5865 2.710 0.645 5.014 -1.2461 0.4054 -0.6713
1956MeOH Me1 5866 4.429 4.663 0.176 -0.4832 0.3031 -0.3928
1956MeOH O2 5867 4.436 4.779 0.076 0.8578 0.4728 -0.1303
1956MeOH H3 5868 4.471 4.859 0.123 1.8244 -0.0445 0.0458
1957MeOH Me1 5869 3.427 3.273 3.232 -0.1703 0.0704 -0.0905
1957MeOH O2 5870 3.516 3.389 3.276 0.0157 0.1105 -0.5695
1957MeOH H3 5871 3.571 3.418 3.198 -0.5104 0.2211 -0.9019
1958MeOH Me1 5872 1.396 3.150 8.642 0.1340 -0.0613 0.0280
1958MeOH O2 5873 1.397 3.028 8.735 -0.0454 0.0414 0.1651
1958MeOH H3 5874 1.348 3.051 8.819 0.8356 0.5312 0.5579
1959MeOH Me1 5875 0.711 2.323 4.034 -0.3884 -0.0439 -0.1019
1959MeOH O2 5876 0.693 2.414 3.912 -0.3188 0.3386 0.1722
1959MeOH H3 5877 0.772 2.476 3.907 0.2845 -0.4489 -0.2741
1960MeOH Me1 5878 3.460 2.380 3.654 -0.5306 -0.0978 -0.0020
1960MeOH O2 5879 3.482 2.231 3.683 0.2907 -0.0688 -0.4382
1960MeOH H3 5880 3.470 2.180 3.598 -0.4200 0.0157 -0.3948
1961MeOH Me1 5881 4.720 3.008 4.516 -0.6847 0.2582 0.3680
1961MeOH O2 5882 4.710 3.074 4.654 -0.4467 0.2749 0.3797
1961MeOH H3 5883 4.619 3.055 4.691 -0.8235 1.3137 0.0113
1962MeOH Me1 5884 2.762 1.986 9.021 0.2037 -0.1601 0.1703
1962MeOH O2 5885 2.728 1.984 8.872 -0.8031 -0.2554 0.3912
1962MeOH H3 5886 2.640 2.030 8.859 -0.6950 0.1087 0.9062
1963MeOH Me1 5887 3.054 4.619 3.470 -0.2871 0.0961 0.1693
1963MeOH O2 5888 3.121 4.747 3.521 -0.1185 0.1996 -0.3085
1963MeOH H3 5889 3.078 4.825 3.476 -1.3245 0.2072 0.7976
1964MeOH Me1 5890 4.984 4.289 9.263 -0.2102 0.5682 -0.0384
1964MeOH O2 5891 4.909 4.193 9.171 0.9330 -0.0127 -0.3757
1964MeOH H3 5892 4.906 4.103 9.214 -0.6592 0.5553 0.7509
1965MeOH Me1 5893 3.239 4.838 8.300 0.5839 -0.0134 -0.1869
1965MeOH O2 5894 3.309 4.956 8.233 0.1321 0.4893 0.2233
1965MeOH H3 5895 3.242 5.028 8.217 -0.0465 0.4921 0.9262
1966MeOH Me1 5896 2.670 2.844 8.130 0.3428 0.2709 0.2011
1966MeOH O2 5897 2.819 2.853 8.097 0.3276 -0.0451 0.0445
1966MeOH H3 5898 2.854 2.939 8.134 0.7740 -0.5789 0.8876
1967MeOH Me1 5899 3.677 4.513 10.762 -0.0611 0.1600 -0.5678
1967MeOH O2 5900 3.590 4.586 10.864 0.2551 -0.3955 0.1065
1967MeOH H3 5901 3.648 4.644 10.920 0.1420 1.4190 -1.5617
1968MeOH Me1 5902 3.888 1.916 0.619 0.3483 0.6100 -0.0765
1968MeOH O2 5903 3.866 1.920 0.467 0.0481 -0.6535 -0.0799
1968MeOH H3 5904 3.872 1.827 0.432 1.3995 -0.8057 0.4855
1969MeOH Me1 5905 0.953 4.485 6.900 -0.3119 0.4624 -0.1548
1969MeOH O2 5906 1.089 4.555 6.906 -0.2372 0.3344 -0.3412
1969MeOH H3 5907 1.090 4.616 6.985 0.4814 -0.8133 0.5624
1970MeOH Me1 5908 4.828 3.783 9.266 -0.1515 0.1283 -0.1055
1970MeOH O2 5909 4.910 3.906 9.225 0.3419 -0.0719 0.2653
1970MeOH H3 5910 4.972 3.879 9.151 0.0302 -0.0335 -0.0115
1971MeOH Me1 5911 0.370 0.968 6.209 -0.8496 0.3691 -0.4585
1971MeOH O2 5912 0.332 0.837 6.279 -0.3749 0.4446 -0.0545
1971MeOH H3 5913 0.232 0.828 6.277 -0.3138 -0.1804 -0.4959
1972MeOH Me1 5914 1.340 3.262 3.780 -0.1232 0.2546 -0.2572
1972MeOH O2 5915 1.429 3.158 3.714 -0.6898 -0.7350 0.5147
1972MeOH H3 5916 1.468 3.099 3.785 -0.6377 -0.1125 1.0098
1973MeOH Me1 5917 2.678 3.051 1.650 0.5204 -0.0524 -0.1440
1973MeOH O2 5918 2.802 2.984 1.710 0.3469 -0.3923 -0.1854
1973MeOH H3 5919 2.844 2.927 1.640 -1.3124 -2.6320 0.5099
1974MeOH Me1 5920 4.707 3.101 6.341 -0.2370 0.0574 0.1554
1974MeOH O2 5921 4.676 3.182 6.215 0.3571 -0.1563 -0.1313
1974MeOH H3 5922 4.688 3.279 6.236 0.1678 -0.1149 -0.2101
1975MeOH Me1 5923 2.415 5.054 9.876 -0.7415 -0.3213 -0.2464
1975MeOH O2 5924 2.521 4.950 9.839 -0.0805 0.1984 0.1516
1975MeOH H3 5925 2.611 4.993 9.843 -0.0825 0.1393 2.5203
1976MeOH Me1 5926 3.414 0.462 29.487 -0.1532 -0.2692 0.2886
1976MeOH O2 5927 3.302 0.382 29.553 0.2892 -0.6160 0.6274
1976MeOH H3 5928 3.280 0.425 29.641 -0.6789 0.2820 -0.0334
1977MeOH Me1 5929 1.909 1.612 9.361 0.4755 -0.0352 -0.1398
1977MeOH O2 5930 1.924 1.466 9.317 0.3384 -0.1017 0.0303
1977MeOH H3 5931 1.836 1.433 9.285 0.4588 0.1589 -0.5860
1978MeOH Me1 5932 2.683 3.729 6.344 -0.5891 0.6641 -0.1974
1978MeOH O2 5933 2.804 3.727 6.250 -0.0319 0.4562 0.5121
1978MeOH H3 5934 2.778 3.682 6.165 0.5015 0.2154 0.4727
1979MeOH Me1 5935 0.368 2.139 3.451 0.0024 -0.2989 0.0876
1979MeOH O2 5936 0.355 2.103 3.303 -0.4430 -0.4034 0.1502
1979MeOH H3 5937 0.337 2.186 3.251 -0.7348 -0.4592 0.1615
1980MeOH Me1 5938 3.975 3.888 6.458 0.2784 0.0472 -0.3504
1980MeOH O2 5939 3.957 4.019 6.536 0.1599 0.0793 -0.4289
1980MeOH H3 5940 3.925 3.996 6.628 -2.1145 0.2222 -1.1161
1981MeOH Me1 5941 2.731 2.699 7.337 -0.2081 -0.4345 -0.4264
1981MeOH O2 5942 2.666 2.836 7.316 -0.0459 -0.2623 0.1719
1981MeOH H3 5943 2.613 2.833 7.231 0.1517 0.2491 0.0304
1982MeOH Me1 5944 3.310 4.911 1.228 -0.5970 0.8565 0.1040
1982MeOH O2 5945 3.186 4.889 1.315 -0.0547 0.0983 0.7061
1982MeOH H3 5946 3.207 4.918 1.409 0.3408 -0.1455 0.6954
1983MeOH Me1 5947 3.334 1.103 10.987 -0.4235 0.2627 -0.4247
1983MeOH O2 5948 3.221 1.114 11.090 -0.4089 -0.0751 -0.3495
1983MeOH H3 5949 3.174 1.026 11.095 0.8410 -0.6973 0.7957
1984MeOH Me1 5950 0.666 1.036 9.148 -0.5432 0.6124 -0.2243
1984MeOH O2 5951 0.819 1.032 9.135 -0.5361 0.2437 -0.0540
1984MeOH H3 5952 0.853 0.952 9.183 -0.7582 0.3255 0.2432
1985MeOH Me1 5953 1.052 4.452 9.235 -0.4555 -0.3974 -0.2315
1985MeOH O2 5954 0.999 4.453 9.091 -0.4663 -0.1950 -0.2261
1985MeOH H3 5955 0.899 4.447 9.094 -0.5170 0.5182 -0.2062
1986MeOH Me1 5956 2.459 1.251 7.302 0.3306 0.1340 -0.3327
1986MeOH O2 5957 2.444 1.129 7.211 -0.2978 -0.0406 0.0007
1986MeOH H3 5958 2.400 1.055 7.264 -2.5281 0.9432 -0.3447
1987MeOH Me1 5959 0.960 4.860 3.315 -0.1249 0.5167 0.3229
1987MeOH O2 5960 0.965 4.748 3.419 0.2278 0.1063 -0.1269
1987MeOH H3 5961 0.992 4.663 3.373 0.1782 0.3053 -0.5297
1988MeOH Me1 5962 4.720 3.841 3.803 0.1528 -0.0950 0.3112
1988MeOH O2 5963 4.768 3.939 3.910 -0.0589 0.0365 0.2871
1988MeOH H3 5964 4.701 3.942 3.984 -0.7693 0.9818 -0.3741
1989MeOH Me1 5965 0.978 1.898 3.331 -0.3488 0.1399 -0.4700
1989MeOH O2 5966 1.086 2.001 3.299 -0.2110 0.1670 0.0651
1989MeOH H3 5967 1.056 2.056 3.221 -0.1164 0.5794 0.3148
1990MeOH Me1 5968 1.356 2.936 5.719 0.0035 -0.3190 0.5174
1990MeOH O2 5969 1.343 2.977 5.572 0.2821 0.1028 0.6062
1990MeOH H3 5970 1.246 2.977 5.548 0.3774 -0.7308 0.1750
1991MeOH Me1 5971 1.333 0.683 1.255 -0.3621 -0.4380 0.4269
1991MeOH O2 5972 1.264 0.745 1.377 -0.1421 -0.1938 0.4290
1991MeOH H3 5973 1.302 0.703 1.460 0.1344 0.1009 0.4520
1992MeOH Me1 5974 3.796 4.909 6.213 0.4190 -0.3582 -0.6752
1992MeOH O2 5975 3.826 4.987 6.341 -0.1060 -0.2923 -0.5906
1992MeOH H3 5976 3.774 4.947 6.416 -0.7658 0.0319 -0.8698
1993MeOH Me1 5977 1.928 1.056 7.688 -0.3167 -0.1247 -0.3014
1993MeOH O2 5978 2.031 1.058 7.801 -0.4085 -0.3030 -0.2136
1993MeOH H3 5979 2.094 1.134 7.785 0.4502 -1.1147 -0.8060
1994MeOH Me1 5980 3.321 2.784 4.018 -0.1437 0.2800 -0.0381
1994MeOH O2 5981 3.183 2.841 3.984 -0.4556 -0.1538 0.4847
1994MeOH H3 5982 3.142 2.877 4.068 -0.9257 -1.7012 0.9409
1995MeOH Me1 5983 0.768 0.230 5.525 -0.7278 0.2581 -0.0686
1995MeOH O2 5984 0.798 0.083 5.558 -0.2427 0.3248 -0.1981
1995MeOH H3 5985 0.839 0.080 5.649 0.2194 0.4219 -0.4005
1996MeOH Me1 5986 2.586 4.550 6.137 0.0988 0.3833 0.2128
1996MeOH O2 5987 2.500 4.423 6.131 0.8236 -0.0751 -0.6442
1996MeOH H3 5988 2.406 4.448 6.153 1.0655 -1.1164 2.0234
1997MeOH Me1 5989 0.067 0.764 29.429 -0.4219 0.4671 -0.1078
1997MeOH O2 5990 0.065 0.913 29.464 -0.2606 0.4291 0.0678
1997MeOH H3 5991 -0.020 0.952 29.428 0.8004 1.0547 -1.9102
1998MeOH Me1 5992 0.399 4.856 2.537 -0.0264 -0.5287 -0.1691
1998MeOH O2 5993 0.492 4.805 2.647 -0.0168 -0.3887 -0.1126
1998MeOH H3 5994 0.439 4.794 2.731 -0.1084 -0.7149 -0.2115
1999MeOH Me1 5995 0.180 2.608 7.437 -0.1848 -0.0818 0.6626
1999MeOH O2 5996 0.217 2.495 7.533 0.1456 -0.5980 -0.0621
1999MeOH H3 5997 0.219 2.532 7.626 -1.0934 -1.4355 0.3203
2000MeOH Me1 5998 3.942 0.787 2.741 -0.3585 0.0563 -0.3996
2000MeOH O2 5999 4.006 0.925 2.748 0.6833 -0.4691 0.5948
2000MeOH H3 6000 3.950 0.983 2.807 -0.6032 0.4045 -1.3732
2001MeOH Me1 6001 0.682 2.420 29.626 -0.1481 0.3277 -0.1150
2001MeOH O2 6002 0.602 2.376 29.749 -0.3003 0.3146 -0.2168
2001MeOH H3 6003 0.618 2.278 29.764 1.0715 0.6676 0.8267
2002MeOH Me1 6004 1.570 2.138 30.038 -0.2920 -0.3682 -0.0737
2002MeOH O2 6005 1.477 2.249 29.988 -0.4765 -0.2374 0.5424
2002MeOH H3 6006 1.406 2.208 29.931 1.0972 0.1839 -1.8884
2003MeOH Me1 6007 0.403 1.201 2.812 0.3690 -0.3450 0.9470
2003MeOH O2 6008 0.385 1.347 2.853 -0.4618 -0.1468 -0.0832
2003MeOH H3 6009 0.324 1.350 2.933 -0.6777 0.0890 -0.2570
2004MeOH Me1 6010 1.010 0.599 8.707 -0.1429 -0.3913 -0.1989
2004MeOH O2 6011 1.119 0.699 8.668 -0.4176 0.1587 0.4392
2004MeOH H3 6012 1.078 0.791 8.667 -1.2255 -0.1866 -1.1034
2005MeOH Me1 6013 4.067 3.808 1.844 -0.5377 0.1139 0.8442
2005MeOH O2 6014 4.181 3.833 1.943 -0.0500 0.0854 0.2948
2005MeOH H3 6015 4.245 3.757 1.937 -0.3927 -0.2154 0.3862
2006MeOH Me1 6016 3.375 2.886 9.537 -0.6902 -0.4627 0.0248
2006MeOH O2 6017 3.442 3.011 9.482 -0.2595 -0.6916 0.0250
2006MeOH H3 6018 3.373 3.083 9.474 -0.0171 -0.4595 0.0123
2007MeOH Me1 6019 0.947 2.291 3.181 0.1407 0.3737 -0.0203
2007MeOH O2 6020 1.002 2.173 3.101 -0.0855 0.0156 0.3239
2007MeOH H3 6021 0.957 2.171 3.012 0.9544 0.7136 -0.2244
2008MeOH Me1 6022 4.612 0.766 2.779 -0.1168 -0.7979 0.0935
2008MeOH O2 6023 4.673 0.822 2.907 -0.7606 -1.0088 0.5003
2008MeOH H3 6024 4.635 0.913 2.924 2.9930 1.4870 -2.5585
2009MeOH Me1 6025 4.678 4.846 2.002 0.3363 0.1144 -0.2773
2009MeOH O2 6026 4.575 4.734 1.980 0.3032 0.1306 -0.1949
2009MeOH H3 6027 4.611 4.650 2.021 0.4658 0.0617 -0.4725
2010MeOH Me1 6028 3.320 0.860 4.565 0.0424 -0.0222 0.4494
2010MeOH O2 6029 3.395 0.864 4.432 -0.1321 -0.1096 0.3493
2010MeOH H3 6030 3.358 0.793 4.372 -0.8454 0.4602 0.1057
2011MeOH Me1 6031 0.767 1.668 7.297 -0.4151 -0.0019 0.2431
2011MeOH O2 6032 0.783 1.598 7.432 -0.4332 0.1435 0.3202
2011MeOH H3 6033 0.828 1.510 7.417 -1.1421 -0.2279 0.3193
2012MeOH Me1 6034 0.989 3.902 4.115 -0.1453 -0.5784 0.0415
2012MeOH O2 6035 0.891 3.994 4.043 0.0993 0.0741 0.5307
2012MeOH H3 6036 0.835 4.041 4.111 -1.1456 -1.6432 0.7597
2013MeOH Me1 6037 4.914 5.082 0.308 0.1173 -0.0389 -0.6529
2013MeOH O2 6038 4.854 4.943 0.336 -0.3958 0.2787 -0.1429
2013MeOH H3 6039 4.773 4.931 0.278 -0.1863 0.1960 -0.4220
2014MeOH Me1 6040 4.479 3.755 1.657 -0.2569 -0.4315 -0.2671
2014MeOH O2 6041 4.551 3.665 1.758 -0.2539 0.4070 0.4906
2014MeOH H3 6042 4.637 3.634 1.718 -0.5294 -0.4061 0.5043
2015MeOH Me1 6043 1.544 4.153 3.166 -0.2778 -0.1172 0.0776
2015MeOH O2 6044 1.639 4.059 3.091 -0.1618 0.0744 -0.0156
2015MeOH H3 6045 1.669 3.987 3.153 1.3305 1.0439 0.4315
2016MeOH Me1 6046 0.664 4.406 10.482 -0.0133 0.0102 -0.2383
2016MeOH O2 6047 0.625 4.286 10.568 -0.3269 0.3409 0.0763
2016MeOH H3 6048 0.698 4.218 10.563 -0.8185 -0.1707 -0.2912
2017MeOH Me1 6049 1.481 4.189 6.887 0.5161 -0.3230 -0.6704
2017MeOH O2 6050 1.469 4.084 6.776 -0.2490 -0.5558 -0.3872
2017MeOH H3 6051 1.505 4.124 6.691 -1.5448 -0.4449 -0.9057
2018MeOH Me1 6052 2.715 4.469 1.257 -0.1986 0.2161 0.2354
2018MeOH O2 6053 2.739 4.611 1.308 -0.6644 0.3271 0.1518
2018MeOH H3 6054 2.831 4.639 1.281 -1.2451 1.1259 -1.0529
2019MeOH Me1 6055 1.312 0.736 10.894 0.0885 0.4144 0.2763
2019MeOH O2 6056 1.458 0.713 10.933 0.1025 -0.0611 -0.0434
2019MeOH H3 6057 1.512 0.792 10.902 0.4418 -0.6220 -0.9219
2020MeOH Me1 6058 2.752 0.930 7.522 -0.2231 -0.0547 -0.3619
2020MeOH O2 6059 2.859 1.039 7.530 -0.5530 0.2027 0.5876
2020MeOH H3 6060 2.882 1.069 7.437 -0.4608 0.9068 0.8265
2021MeOH Me1 6061 1.821 1.268 0.434 0.1655 -0.2864 -0.0990
2021MeOH O2 6062 1.692 1.210 0.375 -0.1870 0.3174 0.0639
2021MeOH H3 6063 1.627 1.195 0.449 -0.6147 1.7456 0.0023
2022MeOH Me1 6064 4.539 4.566 2.750 -0.1376 0.0002 0.1944
2022MeOH O2 6065 4.401 4.623 2.781 -0.2086 -0.0574 0.0169
2022MeOH H3 6066 4.409 4.722 2.793 -0.6789 0.3949 -2.7042
2023MeOH Me1 6067 0.210 3.538 9.893 0.1231 0.0638 -0.0342
2023MeOH O2 6068 0.359 3.538 9.858 0.0982 -0.0156 -0.1382
2023MeOH H3 6069 0.410 3.504 9.937 0.1433 0.0422 -0.1432
2024MeOH Me1 6070 0.383 4.517 6.011 -0.1952 -0.3038 -0.6698
2024MeOH O2 6071 0.362 4.667 5.990 0.6614 0.0166 0.6478
2024MeOH H3 6072 0.266 4.682 5.967 1.0938 0.5506 -0.9510
2025MeOH Me1 6073 0.519 0.434 7.896 0.6168 -0.2515 -0.4274
2025MeOH O2 6074 0.488 0.572 7.837 -0.0058 -0.1871 0.0396
2025MeOH H3 6075 0.391 0.575 7.814 0.1366 -0.8380 -0.6915
2026MeOH Me1 6076 4.916 2.776 1.456 0.1261 0.1447 0.2359
2026MeOH O2 6077 4.970 2.870 1.564 -0.3248 0.2186 0.4014
2026MeOH H3 6078 4.991 2.959 1.522 0.8275 -0.1222 0.2217
2027MeOH Me1 6079 5.116 1.989 1.635 0.0035 0.5178 -0.0187
2027MeOH O2 6080 4.978 1.976 1.700 0.0843 -0.8612 -0.1105
2027MeOH H3 6081 4.918 2.046 1.662 -0.0127 -0.1357 1.3322
2028MeOH Me1 6082 2.553 2.657 8.776 -0.2539 0.0062 0.1009
2028MeOH O2 6083 2.697 2.660 8.828 -0.1413 -0.1495 -0.2054
2028MeOH H3 6084 2.697 2.696 8.921 0.1491 0.2143 -0.3452
2029MeOH Me1 6085 0.123 0.153 2.724 -0.5698 -0.3583 -0.6195
2029MeOH O2 6086 0.263 0.204 2.759 -0.8810 0.4424 -0.5314
2029MeOH H3 6087 0.327 0.169 2.691 -0.4731 -0.0453 0.1033
2030MeOH Me1 6088 0.227 4.496 5.661 0.0138 0.1532 -0.0810
2030MeOH O2 6089 0.301 4.425 5.547 -0.1254 0.0658 -0.1177
2030MeOH H3 6090 0.400 4.439 5.559 0.0979 -2.3568 1.3965
2031MeOH Me1 6091 0.501 3.722 4.480 -0.3509 -0.4874 -0.0101
2031MeOH O2 6092 0.431 3.758 4.612 -0.0504 0.3443 -0.0641
2031MeOH H3 6093 0.384 3.677 4.646 2.6465 -0.4172 2.2153
2032MeOH Me1 6094 0.858 3.118 4.488 -0.1276 0.0465 0.1142
2032MeOH O2 6095 0.915 3.094 4.628 0.5527 -0.4858 -0.2427
2032MeOH H3 6096 0.916 3.181 4.677 -1.7662 -1.0623 1.0170
2033MeOH Me1 6097 1.407 4.055 4.423 0.1018 0.2141 -0.1511
2033MeOH O2 6098 1.509 4.009 4.318 0.1644 0.5382 -0.2342
2033MeOH H3 6099 1.459 3.986 4.234 0.3400 2.0623 -0.7773
2034MeOH Me1 6100 4.757 4.632 6.603 0.0435 0.0550 0.5125
2034MeOH O2 6101 4.621 4.616 6.536 -0.1448 -0.0002 0.9104
2034MeOH H3 6102 4.593 4.705 6.498 -0.2618 -0.0274 0.9316
2035MeOH Me1 6103 2.683 1.216 6.788 -0.1853 0.0729 -0.8957
2035MeOH O2 6104 2.827 1.196 6.741 0.0265 0.0091 -0.2217
2035MeOH H3 6105 2.860 1.108 6.777 0.0844 0.3508 0.5713
2036MeOH Me1 6106 2.139 4.367 7.423 0.3184 -0.0267 -0.3782
2036MeOH O2 6107 2.272 4.324 7.485 0.2089 -0.2420 -0.2936
2036MeOH H3 6108 2.255 4.253 7.553 0.0657 -0.4073 -0.5006
2037MeOH Me1 6109 1.427 0.671 6.745 -0.2343 -0.3030 -0.3043
2037MeOH O2 6110 1.433 0.583 6.619 0.2342 -0.1357 -0.3995
2037MeOH H3 6111 1.499 0.510 6.636 2.1775 1.3392 -1.2096
2038MeOH Me1 6112 3.947 0.172 5.741 -0.3563 -0.3473 0.4539
2038MeOH O2 6113 3.855 0.125 5.629 0.4195 0.2089 -0.4258
2038MeOH H3 6114 3.826 0.031 5.648 0.7645 -0.1172 -1.4196
2039MeOH Me1 6115 4.091 3.567 8.256 0.4876 -0.4673 0.4976
2039MeOH O2 6116 4.081 3.527 8.108 0.4680 0.2947 0.2905
2039MeOH H3 6117 3.990 3.552 8.075 0.8064 1.3897 0.1472
2040MeOH Me1 6118 3.725 4.568 8.890 0.1301 -0.2414 0.5865
2040MeOH O2 6119 3.716 4.693 8.802 0.0237 -0.5569 0.1425
2040MeOH H3 6120 3.738 4.668 8.708 0.3187 -0.8201 0.2810
2041MeOH Me1 6121 4.895 4.434 8.287 0.0155 0.4149 0.0906
2041MeOH O2 6122 4.917 4.323 8.184 0.4970 0.0785 0.5503
2041MeOH H3 6123 4.832 4.272 8.173 0.6917 -0.2764 0.6934
2042MeOH Me1 6124 1.106 2.224 3.564 -0.0837 -0.3281 0.0415
2042MeOH O2 6125 1.236 2.204 3.485 0.0272 -0.4518 0.2510
2042MeOH H3 6126 1.218 2.141 3.409 0.7661 -2.7623 1.8715
2043MeOH Me1 6127 2.324 2.897 2.102 0.5972 -0.2655 -0.1211
2043MeOH O2 6128 2.369 2.769 2.031 0.4926 -0.6347 0.4833
2043MeOH H3 6129 2.357 2.782 1.933 -1.0790 -1.7233 0.5120
2044MeOH Me1 6130 3.894 1.790 6.824 -0.2353 0.2248 -0.0575
2044MeOH O2 6131 3.936 1.937 6.817 0.7386 -0.0226 0.2768
2044MeOH H3 6132 3.914 1.972 6.726 -0.8122 0.8270 0.9219
2045MeOH Me1 6133 2.471 4.018 9.393 -0.3921 -0.3197 0.2703
2045MeOH O2 6134 2.491 4.110 9.514 0.0986 -0.4038 0.2528
2045MeOH H3 6135 2.514 4.201 9.480 2.0625 -0.8450 0.2411
2046MeOH Me1 6136 0.174 0.133 3.597 0.1945 0.5999 -0.1884
2046MeOH O2 6137 0.087 0.021 3.655 0.0424 0.8625 0.0910
2046MeOH H3 6138 0.145 -0.042 3.706 0.0732 0.4877 -0.3970
2047MeOH Me1 6139 1.365 0.430 8.812 -0.0349 -0.5811 -0.0541
2047MeOH O2 6140 1.506 0.389 8.769 0.2016 -0.3813 0.5275
2047MeOH H3 6141 1.499 0.334 8.686 0.5433 -1.2706 1.0767
2048MeOH Me1 6142 2.176 1.808 9.934 0.3422 -0.1039 -0.1666
2048MeOH O2 6143 2.211 1.673 9.870 -0.4903 -0.1347 -0.5823
2048MeOH H3 6144 2.269 1.622 9.934 2.1027 0.7329 -2.0658
2049MeOH Me1 6145 0.272 2.615 4.197 -0.3613 -0.3128 0.4166
2049MeOH O2 6146 0.205 2.578 4.064 0.0195 0.2855 0.0529
2049MeOH H3 6147 0.117 2.536 4.083 0.8700 -1.7670 -0.2789
2050MeOH Me1 6148 4.548 4.186 5.719 0.1948 -0.0387 -0.0992
2050MeOH O2 6149 4.547 4.247 5.578 -0.6219 -0.3436 -0.2304
2050MeOH H3 6150 4.457 4.287 5.561 -0.0577 1.6043 1.0695
2051MeOH Me1 6151 0.708 4.179 9.824 0.5424 -0.2409 -0.5851
2051MeOH O2 6152 0.853 4.208 9.785 0.6710 -0.0545 -0.0003
2051MeOH H3 6153 0.913 4.157 9.846 0.5031 0.4735 0.6117
2052MeOH Me1 6154 5.056 0.436 5.639 0.3701 0.4002 -0.1636
2052MeOH O2 6155 4.974 0.479 5.517 -0.1606 -0.6570 -0.1963
2052MeOH H3 6156 4.882 0.503 5.548 0.3144 0.7678 0.2103
2053MeOH Me1 6157 2.348 2.785 6.994 -0.4328 -0.6181 0.0492
2053MeOH O2 6158 2.488 2.732 7.028 -0.0727 0.1186 -0.2398
2053MeOH H3 6159 2.495 2.638 6.993 0.1927 0.0137 0.0915
2054MeOH Me1 6160 1.061 2.874 3.756 0.3341 0.2774 0.0227
2054MeOH O2 6161 1.024 2.798 3.629 -0.2719 -0.7596 0.8019
2054MeOH H3 6162 1.070 2.841 3.552 -0.7703 -1.2722 0.2066
2055MeOH Me1 6163 1.327 3.483 5.211 0.3585 0.0307 0.3106
2055MeOH O2 6164 1.305 3.419 5.348 -0.2656 0.5478 0.4371
2055MeOH H3 6165 1.332 3.323 5.343 1.2039 0.8850 1.3152
2056MeOH Me1 6166 5.017 2.984 2.552 -0.1720 0.1484 -0.1729
2056MeOH O2 6167 4.888 3.061 2.582 -0.0572 0.1401 0.3660
2056MeOH H3 6168 4.865 3.049 2.678 0.1942 -0.0924 0.3977
2057MeOH Me1 6169 4.218 4.513 29.785 -1.1201 -0.3474 0.3033
2057MeOH O2 6170 4.183 4.506 29.934 -0.0903 -0.0532 0.5596
2057MeOH H3 6171 4.138 4.419 29.952 2.3362 -1.1784 1.5690
2058MeOH Me1 6172 1.227 2.723 5.187 -0.2328 0.1890 0.4129
2058MeOH O2 6173 1.181 2.862 5.140 -0.3312 -0.0796 -0.2873
2058MeOH H3 6174 1.244 2.894 5.070 -0.4227 -0.4582 -0.5441
2059MeOH Me1 6175 3.807 1.255 5.923 -0.2701 0.3469 -0.5455
2059MeOH O2 6176 3.916 1.300 5.825 0.2686 -0.5553 -0.3733
2059MeOH H3 6177 3.896 1.263 5.735 -0.7472 0.8351 -0.7528
2060MeOH Me1 6178 0.177 4.177 1.575 0.0912 0.0132 0.6416
2060MeOH O2 6179 0.286 4.238 1.487 -0.6152 0.4998 0.0915
2060MeOH H3 6180 0.247 4.260 1.398 -1.6158 2.0017 0.8674
2061MeOH Me1 6181 2.948 3.535 0.804 0.1116 0.2951 0.1800
2061MeOH O2 6182 3.085 3.525 0.736 -0.1679 0.1227 -0.3667
2061MeOH H3 6183 3.071 3.513 0.638 -0.5804 1.4598 -0.4959
2062MeOH Me1 6184 2.436 2.227 2.691 -0.3179 -0.3576 0.5301
2062MeOH O2 6185 2.350 2.339 2.633 0.2217 -0.0753 0.2676
2062MeOH H3 6186 2.355 2.335 2.533 0.1799 -0.3578 0.2750
2063MeOH Me1 6187 0.650 0.149 2.516 -0.1427 0.2372 -0.1315
2063MeOH O2 6188 0.527 0.212 2.582 0.0076 0.0184 0.3572
2063MeOH H3 6189 0.547 0.308 2.600 0.0080 -0.0137 0.5321
2064MeOH Me1 6190 4.260 4.285 5.347 0.2215 0.0005 -0.2691
2064MeOH O2 6191 4.297 4.331 5.488 -0.6941 0.3220 -0.1310
2064MeOH H3 6192 4.215 4.368 5.532 -0.8411 1.0353 -0.9822
2065MeOH Me1 6193 3.236 4.070 10.853 -0.0510 -0.1505 -0.2497
2065MeOH O2 6194 3.372 4.052 10.785 0.2497 0.3065 0.2247
2065MeOH H3 6195 3.410 3.963 10.813 0.6034 0.5743 0.6147
2066MeOH Me1 6196 0.391 0.623 4.771 -0.3492 -0.0164 -0.2197
2066MeOH O2 6197 0.282 0.523 4.810 -0.0281 -0.2071 0.1334
2066MeOH H3 6198 0.193 0.564 4.791 -0.1463 -0.9225 -0.9232
2067MeOH Me1 6199 1.958 2.982 9.392 -0.0766 -0.4705 1.0993
2067MeOH O2 6200 1.952 2.829 9.388 0.6213 -0.4845 -0.3017
2067MeOH H3 6201 2.001 2.797 9.307 -0.0791 0.5225 -1.1416
2068MeOH Me1 6202 4.171 0.275 3.381 0.2868 1.1684 -0.3301
2068MeOH O2 6203 4.066 0.235 3.277 -0.0321 -0.2835 0.5204
2068MeOH H3 6204 4.008 0.164 3.316 1.0713 -0.8922 1.0981
2069MeOH Me1 6205 0.871 4.028 8.096 -0.1405 0.7392 -0.8696
2069MeOH O2 6206 0.769 4.099 8.185 -0.4145 -0.2724 -0.3598
2069MeOH H3 6207 0.678 4.066 8.161 -0.1431 -2.3974 1.1974
2070MeOH Me1 6208 0.342 4.622 10.448 0.6620 0.4726 0.4773
2070MeOH O2 6209 0.321 4.533 10.571 0.0287 0.1755 0.1586
2070MeOH H3 6210 0.279 4.447 10.541 -0.8851 0.7010 -0.1102
2071MeOH Me1 6211 1.133 3.874 10.676 -0.1073 -0.0756 0.4163
2071MeOH O2 6212 1.011 3.918 10.596 0.0225 -0.1070 0.1994
2071MeOH H3 6213 0.981 4.007 10.631 -0.0110 -0.0761 0.0910
2072MeOH Me1 6214 3.980 1.883 6.224 0.2137 -0.3252 -0.4265
2072MeOH O2 6215 3.985 1.769 6.326 0.3389 -0.0039 -0.0720
2072MeOH H3 6216 3.929 1.694 6.292 1.1537 -0.5326 -0.2843
2073MeOH Me1 6217 3.600 0.366 9.880 0.3545 0.2599 -0.0652
2073MeOH O2 6218 3.664 0.361 9.742 0.4339 -0.4653 -0.0112
2073MeOH H3 6219 3.763 0.372 9.752 0.4033 -0.1653 -0.0287
2074MeOH Me1 6220 3.741 4.275 7.125 -0.5031 0.6189 -0.6220
2074MeOH O2 6221 3.829 4.400 7.121 0.2795 0.0948 -0.0819
2074MeOH H3 6222 3.871 4.406 7.031 -0.1959 0.5647 -0.2765
2075MeOH Me1 6223 0.996 0.186 1.553 0.0017 0.1624 -0.4085
2075MeOH O2 6224 0.956 0.327 1.596 0.5746 0.2288 -0.0815
2075MeOH H3 6225 0.914 0.373 1.518 -0.1086 0.2565 0.2925
2076MeOH Me1 6226 0.784 4.376 11.031 -0.1069 0.6026 0.5508
2076MeOH O2 6227 0.704 4.443 10.920 -0.4832 -0.3933 0.2065
2076MeOH H3 6228 0.632 4.381 10.891 -1.6655 -0.0344 2.1829
2077MeOH Me1 6229 2.923 1.254 2.453 0.4219 -0.1279 -0.2288
2077MeOH O2 6230 2.959 1.258 2.305 0.4181 -0.5042 -0.2426
2077MeOH H3 6231 3.042 1.204 2.291 1.2042 0.5689 0.1106
2078MeOH Me1 6232 1.034 3.403 9.866 -0.1182 -0.2184 -0.2564
2078MeOH O2 6233 0.913 3.477 9.809 -0.1494 0.0540 0.1641
2078MeOH H3 6234 0.870 3.420 9.739 -0.3605 0.2633 0.1202
2079MeOH Me1 6235 2.859 2.628 4.576 -0.5949 -0.1736 0.0063
2079MeOH O2 6236 2.876 2.562 4.440 0.1190 0.3493 -0.1663
2079MeOH H3 6237 2.846 2.466 4.447 2.2266 -0.3658 -0.1091
2080MeOH Me1 6238 1.558 3.109 4.226 -0.2827 0.0247 0.0591
2080MeOH O2 6239 1.511 3.238 4.157 -0.6870 0.1383 0.5382
2080MeOH H3 6240 1.451 3.287 4.219 -1.0299 -0.4000 0.6385
2081MeOH Me1 6241 0.869 2.309 8.362 -0.4355 -0.3007 -0.0964
2081MeOH O2 6242 0.889 2.259 8.506 -0.0641 -0.3252 -0.1550
2081MeOH H3 6243 0.956 2.318 8.550 -0.8299 0.4174 0.0580
2082MeOH Me1 6244 2.011 0.023 7.249 -0.3542 -0.7168 -0.1541
2082MeOH O2 6245 1.945 0.157 7.215 -0.0559 -0.3000 0.8880
2082MeOH H3 6246 1.864 0.167 7.272 -0.6386 -1.0645 0.2173
2083MeOH Me1 6247 2.698 0.302 9.293 -0.8987 -0.1205 -0.3012
2083MeOH O2 6248 2.719 0.437 9.225 0.6416 -0.0414 0.2721
2083MeOH H3 6249 2.816 0.458 9.225 1.0582 -1.7475 -0.7505
2084MeOH Me1 6250 3.702 3.518 2.467 -0.0186 -0.0343 -0.5633
2084MeOH O2 6251 3.661 3.656 2.520 0.3830 -0.1400 0.0264
2084MeOH H3 6252 3.738 3.694 2.571 0.0757 -1.1270 1.2883
2085MeOH Me1 6253 2.390 3.999 6.702 -0.1597 0.1561 0.0951
2085MeOH O2 6254 2.317 4.099 6.792 -0.6980 0.1131 -0.3166
2085MeOH H3 6255 2.383 4.165 6.826 -0.6002 -0.7772 1.3325
2086MeOH Me1 6256 4.890 0.927 29.741 0.2456 -0.0729 -0.5037
2086MeOH O2 6257 4.814 1.055 29.709 0.1767 0.2908 1.0238
2086MeOH H3 6258 4.879 1.130 29.701 0.3670 0.0306 -0.0268
2087MeOH Me1 6259 3.827 2.793 8.096 0.4399 0.0106 -0.0335
2087MeOH O2 6260 3.794 2.645 8.121 -0.3937 0.2333 0.2201
2087MeOH H3 6261 3.880 2.595 8.133 -0.7082 0.0076 1.7218
2088MeOH Me1 6262 3.945 3.232 2.070 0.0434 0.1381 0.8214
2088MeOH O2 6263 4.011 3.104 2.122 -0.6969 -0.7536 -0.3616
2088MeOH H3 6264 4.105 3.100 2.087 -0.5914 -0.7649 -0.0849
2089MeOH Me1 6265 3.196 2.963 29.907 0.3644 0.3938 0.4290
2089MeOH O2 6266 3.100 3.038 29.998 -0.5543 0.0707 -0.2592
2089MeOH H3 6267 3.079 2.981 30.077 -2.3340 -0.7284 -1.2356
2090MeOH Me1 6268 0.339 0.624 8.906 0.2667 0.0659 -0.2081
2090MeOH O2 6269 0.429 0.661 9.023 0.4163 -0.6744 -0.0837
2090MeOH H3 6270 0.383 0.730 9.079 0.6898 -0.6674 0.1407
2091MeOH Me1 6271 0.355 1.413 6.027 0.1201 0.0170 -0.2982
2091MeOH O2 6272 0.362 1.264 6.062 -0.1643 0.1550 0.3556
2091MeOH H3 6273 0.423 1.252 6.140 1.4250 0.1735 -0.8453
2092MeOH Me1 6274 1.638 1.807 8.182 -0.1253 -1.0119 0.4656
2092MeOH O2 6275 1.564 1.934 8.225 0.5593 -0.2766 -0.4731
2092MeOH H3 6276 1.467 1.911 8.238 0.3871 0.4012 -0.5335
2093MeOH Me1 6277 4.922 0.241 3.356 0.0402 0.0260 -0.1969
2093MeOH O2 6278 4.796 0.327 3.364 0.0247 -0.0152 0.0212
2093MeOH H3 6279 4.718 0.272 3.336 0.0774 0.1293 -0.4160
2094MeOH Me1 6280 0.791 3.714 8.333 -0.4677 0.1935 -0.2698
2094MeOH O2 6281 0.684 3.823 8.327 -0.5373 0.1265 -0.0625
2094MeOH H3 6282 0.729 3.912 8.322 -0.6117 0.1623 -0.0890
2095MeOH Me1 6283 1.825 4.488 5.882 0.1188 0.4619 -0.1335
2095MeOH O2 6284 1.941 4.408 5.822 -0.3836 -0.1059 -0.3666
2095MeOH H3 6285 2.022 4.467 5.820 -0.1620 -0.4273 -0.7730
2096MeOH Me1 6286 4.036 3.672 8.775 0.0739 -0.3306 0.2112
2096MeOH O2 6287 3.918 3.587 8.823 0.0716 -0.2716 0.3025
2096MeOH H3 6288 3.945 3.538 8.906 0.5319 -1.2483 -0.4098
2097MeOH Me1 6289 4.103 0.811 8.883 0.2426 0.1490 0.4086
2097MeOH O2 6290 4.053 0.776 9.024 0.1115 -0.3961 0.2288
2097MeOH H3 6291 3.954 0.759 9.019 0.4054 -2.0569 -0.2308
2098MeOH Me1 6292 0.911 1.468 3.304 0.3441 0.3187 0.2111
2098MeOH O2 6293 0.959 1.569 3.200 -0.0084 0.1866 -0.0829
2098MeOH H3 6294 0.903 1.560 3.118 0.3358 -0.5857 -0.2394
2099MeOH Me1 6295 1.680 1.876 5.086 -0.3861 -0.3216 -0.3373
2099MeOH O2 6296 1.541 1.928 5.048 -0.2761 0.1741 -0.0745
2099MeOH H3 6297 1.496 1.859 4.991 -0.6213 0.3412 -0.0067
2100MeOH Me1 6298 0.999 3.322 7.697 -0.0026 0.2359 0.2440
2100MeOH O2 6299 0.960 3.259 7.831 -0.0782 -0.0756 0.0679
2100MeOH H3 6300 1.037 3.203 7.863 0.7570 1.5517 1.0265
2101MeOH Me1 6301 3.767 0.015 9.546 0.5641 -0.1883 0.0879
2101MeOH O2 6302 3.771 0.041 9.395 -0.1865 0.7935 0.2252
2101MeOH H3 6303 3.865 0.027 9.363 -0.3114 1.1496 -0.3072
2102MeOH Me1 6304 0.661 4.373 2.123 0.5007 -0.1375 -0.3948
2102MeOH O2 6305 0.694 4.253 2.034 0.2428 -0.5369 0.0664
2102MeOH H3 6306 0.609 4.208 2.008 -0.0663 0.8687 -1.5974
2103MeOH Me1 6307 0.732 1.786 1.406 -0.0239 0.0457 0.0478
2103MeOH O2 6308 0.731 1.877 1.283 -0.7098 0.1780 0.1492
2103MeOH H3 6309 0.780 1.831 1.209 1.1153 1.3116 0.5954
2104MeOH Me1 6310 4.228 0.137 2.978 0.3947 -0.0927 0.0934
2104MeOH O2 6311 4.257 0.262 3.061 0.1152 -0.2447 0.4179
2104MeOH H3 6312 4.180 0.276 3.124 -0.2462 -0.1795 -0.0313
2105MeOH Me1 6313 1.859 3.016 10.230 0.7458 0.2654 -0.5962
2105MeOH O2 6314 1.956 3.030 10.347 -0.6422 0.1565 0.5974
2105MeOH H3 6315 2.016 3.108 10.330 -1.0780 0.7988 1.8714
2106MeOH Me1 6316 1.412 1.628 7.931 -0.2401 0.0328 0.0664
2106MeOH O2 6317 1.291 1.556 7.992 -0.1808 -0.2769 -0.1770
2106MeOH H3 6318 1.217 1.555 7.925 -0.6308 1.0452 0.2584
2107MeOH Me1 6319 4.682 3.781 29.401 0.3583 0.0146 0.0348
2107MeOH O2 6320 4.565 3.759 29.496 0.2653 -0.4133 -0.1782
2107MeOH H3 6321 4.483 3.739 29.442 0.9433 -3.3601 -0.2777
2108MeOH Me1 6322 3.983 4.254 6.782 0.1689 -0.0745 -0.2064
2108MeOH O2 6323 3.981 4.360 6.892 0.1310 -0.6759 0.3793
2108MeOH H3 6324 4.072 4.400 6.900 -0.2388 0.3600 -0.4340
2109MeOH Me1 6325 4.133 4.540 1.522 0.3174 -0.0563 -0.4431
2109MeOH O2 6326 4.062 4.578 1.392 -0.2692 -0.0355 -0.1146
2109MeOH H3 6327 4.044 4.677 1.394 1.8472 0.4126 -1.0124
2110MeOH Me1 6328 3.058 0.095 8.620 -0.7011 0.3558 -0.0709
2110MeOH O2 6329 3.047 0.173 8.489 -0.4811 -0.3027 -0.4880
2110MeOH H3 6330 3.086 0.118 8.416 0.7480 -0.1696 0.0535
2111MeOH Me1 6331 4.061 0.282 9.823 -0.0478 -0.0116 0.0730
2111MeOH O2 6332 3.945 0.306 9.726 -0.4471 -0.2948 0.4801
2111MeOH H3 6333 3.982 0.335 9.638 -0.8662 0.6771 0.6126
2112MeOH Me1 6334 2.564 3.171 0.077 -0.3901 -0.5151 -0.2752
2112MeOH O2 6335 2.423 3.184 0.135 0.1129 0.6323 0.7318
2112MeOH H3 6336 2.430 3.219 0.228 0.9714 2.0310 0.1756
2113MeOH Me1 6337 0.871 0.211 3.796 -0.4846 -0.3320 -0.2993
2113MeOH O2 6338 0.917 0.123 3.679 0.0083 0.3220 -0.6089
2113MeOH H3 6339 0.906 0.027 3.706 -0.5736 0.1650 -1.3674
2114MeOH Me1 6340 5.080 4.800 8.013 -0.3629 -0.2322 -0.4389
2114MeOH O2 6341 4.929 4.815 8.031 -0.3141 -0.3471 0.0792
2114MeOH H3 6342 4.911 4.871 8.111 -0.0963 -1.3456 0.8440
2115MeOH Me1 6343 3.144 2.182 3.747 -0.4810 -0.4719 -0.2221
2115MeOH O2 6344 3.138 2.231 3.602 -0.4811 -0.1828 -0.1235
2115MeOH H3 6345 3.147 2.331 3.602 -0.7365 -0.1587 0.0947
2116MeOH Me1 6346 0.433 2.904 7.637 -0.1489 0.0698 -0.0770
2116MeOH O2 6347 0.557 2.910 7.548 0.1019 0.0120 0.2592
2116MeOH H3 6348 0.618 2.981 7.583 -0.4553 0.7311 -0.2091
2117MeOH Me1 6349 0.748 5.010 10.434 0.0540 -0.3369 0.1610
2117MeOH O2 6350 0.875 4.955 10.499 0.0762 -0.3928 0.0702
2117MeOH H3 6351 0.850 4.877 10.556 0.2796 -1.4014 -1.1680
2118MeOH Me1 6352 1.458 3.074 5.254 -0.1212 0.4297 -0.1670
2118MeOH O2 6353 1.402 3.153 5.372 -0.0551 0.3699 -0.0957
2118MeOH H3 6354 1.390 3.091 5.449 0.6041 0.4545 0.0892
2119MeOH Me1 6355 1.606 2.811 2.432 -0.1297 0.3133 -0.1100
2119MeOH O2 6356 1.640 2.951 2.382 0.4939 0.1456 -0.1743
2119MeOH H3 6357 1.654 3.011 2.461 -1.1945 0.5714 -0.1542
2120MeOH Me1 6358 1.577 3.262 0.760 0.0942 0.0679 -0.0424
2120MeOH O2 6359 1.655 3.368 0.682 -0.6679 0.6524 -0.0194
2120MeOH H3 6360 1.613 3.457 0.699 1.2368 1.0481 3.5352
2121MeOH Me1 6361 3.672 4.895 0.308 -0.1011 0.1368 0.1320
2121MeOH O2 6362 3.653 5.047 0.304 -0.2204 0.1276 0.3357
2121MeOH H3 6363 3.618 5.072 0.213 0.3534 0.2883 0.1540
2122MeOH Me1 6364 0.577 4.557 4.253 -0.5642 -0.3101 -0.2051
2122MeOH O2 6365 0.478 4.639 4.172 0.5145 0.4674 -0.7596
2122MeOH H3 6366 0.421 4.577 4.118 1.0026 0.9686 -1.8925
2123MeOH Me1 6367 3.809 4.932 9.018 0.1914 0.1525 -0.4699
2123MeOH O2 6368 3.675 4.904 8.950 -0.0586 0.3505 -0.0645
2123MeOH H3 6369 3.688 4.828 8.886 -0.1683 0.8672 -0.7061
2124MeOH Me1 6370 1.106 4.733 7.947 0.1988 0.4951 -0.2649
2124MeOH O2 6371 0.955 4.728 7.926 0.1774 -0.3246 0.0352
2124MeOH H3 6372 0.918 4.821 7.937 -0.3435 -0.5684 0.3971
2125MeOH Me1 6373 0.080 2.089 8.102 -0.0689 0.2791 0.0810
2125MeOH O2 6374 0.085 2.115 8.253 -0.5369 0.7004 0.0257
2125MeOH H3 6375 0.156 2.057 8.293 -1.1904 0.2320 0.5263
2126MeOH Me1 6376 1.842 4.863 10.113 0.0701 0.5024 -0.1224
2126MeOH O2 6377 1.766 4.882 10.244 0.1791 0.3102 -0.0302
2126MeOH H3 6378 1.832 4.883 10.320 0.3589 1.4179 -0.1928
2127MeOH Me1 6379 0.623 2.256 3.058 -0.5666 -0.0250 -0.4006
2127MeOH O2 6380 0.579 2.399 3.094 -0.0244 -0.0847 0.4633
2127MeOH H3 6381 0.634 2.430 3.171 1.9030 0.1940 -0.9449
2128MeOH Me1 6382 1.169 3.209 4.945 -0.4511 0.4024 0.2635
2128MeOH O2 6383 1.199 3.355 4.911 -0.0701 0.3908 0.5346
2128MeOH H3 6384 1.115 3.397 4.876 -0.0299 0.7477 0.8648
2129MeOH Me1 6385 3.944 0.118 8.726 0.5822 0.3111 0.3698
2129MeOH O2 6386 3.854 0.162 8.611 0.1109 -0.5150 0.4110
2129MeOH H3 6387 3.769 0.111 8.616 0.1474 -0.5203 1.1002
2130MeOH Me1 6388 0.938 3.794 7.312 0.6682 0.0878 1.0034
2130MeOH O2 6389 0.842 3.720 7.404 0.3549 0.1597 0.7350
2130MeOH H3 6390 0.862 3.744 7.499 0.6002 -0.4291 0.8386
2131MeOH Me1 6391 4.556 4.258 4.577 0.3502 -0.3723 -0.4382
2131MeOH O2 6392 4.672 4.352 4.610 0.3068 -0.4599 -0.0226
2131MeOH H3 6393 4.696 4.403 4.527 1.0356 -0.9098 -0.1040
2132MeOH Me1 6394 1.054 0.311 8.321 -0.2708 0.4281 0.4643
2132MeOH O2 6395 0.918 0.322 8.251 -0.1086 0.1026 0.1023
2132MeOH H3 6396 0.848 0.281 8.309 -0.3842 1.1485 0.5288
2133MeOH Me1 6397 0.494 2.058 0.541 -0.0536 0.1732 -0.2126
2133MeOH O2 6398 0.548 1.979 0.422 0.2578 0.2473 -0.1241
2133MeOH H3 6399 0.502 1.890 0.420 1.9316 -0.6964 1.0642
2134MeOH Me1 6400 3.742 3.973 3.998 0.0583 0.2505 0.1271
2134MeOH O2 6401 3.888 4.002 3.961 0.0270 0.3578 0.0919
2134MeOH H3 6402 3.889 4.055 3.876 0.0403 -2.2611 -1.6774
2135MeOH Me1 6403 2.792 2.279 1.705 -0.0760 -0.4124 0.3247
2135MeOH O2 6404 2.918 2.362 1.680 -0.5699 0.3542 0.3554
2135MeOH H3 6405 2.992 2.325 1.736 0.1949 -0.5627 -1.1837
2136MeOH Me1 6406 4.259 0.706 1.806 -0.2820 0.3147 -0.0251
2136MeOH O2 6407 4.305 0.775 1.677 -0.1140 -0.5332 -0.4224
2136MeOH H3 6408 4.357 0.708 1.622 2.2110 -0.2179 1.2499
2137MeOH Me1 6409 4.481 1.597 2.840 0.0134 -0.1403 -0.3537
2137MeOH O2 6410 4.500 1.552 2.985 0.1964 0.0262 -0.3262
2137MeOH H3 6411 4.427 1.487 3.008 -0.2149 0.6117 0.0696
2138MeOH Me1 6412 0.456 4.537 4.757 -0.6409 0.2439 0.1797
2138MeOH O2 6413 0.540 4.421 4.703 0.0236 0.6612 0.3209
2138MeOH H3 6414 0.490 4.376 4.629 -0.0088 -0.1379 0.8197
2139MeOH Me1 6415 0.769 4.782 7.346 -0.0017 -0.0889 0.4352
2139MeOH O2 6416 0.885 4.847 7.271 -0.1230 0.0740 0.3871
2139MeOH H3 6417 0.862 4.942 7.252 -0.0033 0.2253 0.9653
2140MeOH Me1 6418 1.847 3.734 6.994 0.1097 -0.0832 -0.1332
2140MeOH O2 6419 1.825 3.748 7.145 -0.1294 -0.2127 -0.1563
2140MeOH H3 6420 1.823 3.845 7.168 -0.0343 -0.2340 -0.0555
2141MeOH Me1 6421 0.153 2.575 1.023 0.2406 -0.0018 0.2108
2141MeOH O2 6422 0.202 2.619 1.161 -0.0774 0.7926 0.0773
2141MeOH H3 6423 0.263 2.549 1.197 -3.1239 -0.9730 2.2922
2142MeOH Me1 6424 4.707 4.188 1.278 0.1050 0.2965 -0.3822
2142MeOH O2 6425 4.784 4.210 1.147 0.3246 0.0897 -0.2881
2142MeOH H3 6426 4.858 4.276 1.164 1.0326 -0.7560 0.0115
2143MeOH Me1 6427 2.199 4.382 10.475 -0.5778 -0.1278 0.5123
2143MeOH O2 6428 2.215 4.531 10.447 0.1029 -0.2197 0.3860
2143MeOH H3 6429 2.306 4.559 10.476 -0.1542 -0.3840 1.4027
2144MeOH Me1 6430 3.137 1.190 7.678 0.2003 -0.0232 0.5227
2144MeOH O2 6431 3.005 1.127 7.725 0.1191 -0.3213 -0.1048
2144MeOH H3 6432 2.952 1.101 7.644 -0.4063 1.5521 -0.4212
2145MeOH Me1 6433 3.157 0.340 9.439 -0.3550 0.8569 0.6223
2145MeOH O2 6434 3.280 0.416 9.390 -0.2802 -0.3717 -1.2248
2145MeOH H3 6435 3.356 0.396 9.452 -0.5409 1.7539 -0.1185
2146MeOH Me1 6436 0.328 1.719 3.572 0.2015 -0.0455 -0.3090
2146MeOH O2 6437 0.201 1.717 3.488 -0.1999 0.0209 0.2764
2146MeOH H3 6438 0.221 1.757 3.398 -0.7085 0.4638 0.3523
2147MeOH Me1 6439 0.879 1.277 2.060 0.1266 -0.3162 -0.3309
2147MeOH O2 6440 0.976 1.315 2.172 -0.4258 -0.1144 0.0849
2147MeOH H3 6441 0.983 1.238 2.235 -2.5777 0.8465 1.6045
2148MeOH Me1 6442 -0.045 3.463 3.170 0.5995 -0.1388 -0.3638
2148MeOH O2 6443 0.014 3.425 3.034 -0.2232 -0.3319 -0.6713
2148MeOH H3 6444 0.101 3.472 3.023 0.2217 -1.1748 -0.8152
2149MeOH Me1 6445 3.345 1.691 9.986 -0.1739 -0.2322 -0.2916
2149MeOH O2 6446 3.347 1.785 9.865 0.1912 0.0062 -0.0974
2149MeOH H3 6447 3.254 1.793 9.829 0.6153 -1.7614 -1.7779
2150MeOH Me1 6448 2.462 3.998 10.589 -0.2816 -1.0679 -0.4742
2150MeOH O2 6449 2.426 3.973 10.735 -0.1394 -0.2606 -0.2913
2150MeOH H3 6450 2.334 3.934 10.739 -0.0229 -0.5171 -0.0127
2151MeOH Me1 6451 0.256 0.909 1.938 0.2353 -0.1178 0.1121
2151MeOH O2 6452 0.231 0.889 2.087 -0.4746 -0.5487 -0.0573
2151MeOH H3 6453 0.311 0.922 2.137 -0.6203 -0.8612 0.3989
2152MeOH Me1 6454 2.544 0.771 29.855 0.0699 0.1466 -0.7954
2152MeOH O2 6455 2.662 0.677 29.830 0.0336 0.0927 -0.7624
2152MeOH H3 6456 2.701 0.651 29.918 -0.7268 -0.8563 -0.6894
2153MeOH Me1 6457 1.547 2.638 8.198 0.0464 -0.0580 0.1233
2153MeOH O2 6458 1.564 2.787 8.225 0.2909 -0.0817 0.1114
2153MeOH H3 6459 1.651 2.817 8.186 -0.2047 0.0374 -0.9582
2154MeOH Me1 6460 0.962 4.180 2.448 -0.3268 -0.0570 -0.0408
2154MeOH O2 6461 0.910 4.324 2.449 -0.2294 -0.0217 0.1268
2154MeOH H3 6462 0.945 4.371 2.368 -2.1912 -0.6708 -1.1700
2155MeOH Me1 6463 4.164 2.539 3.785 0.5613 -0.2240 0.3080
2155MeOH O2 6464 4.172 2.389 3.757 -0.6417 -0.1750 -0.3841
2155MeOH H3 6465 4.125 2.340 3.831 -1.8510 -0.1060 -1.0815
2156MeOH Me1 6466 4.112 4.613 10.870 -0.1359 0.4129 -0.0291
2156MeOH O2 6467 3.995 4.534 10.930 0.2721 -0.1619 0.0288
2156MeOH H3 6468 4.009 4.437 10.912 0.2173 -0.0114 -0.9111
2157MeOH Me1 6469 4.833 3.424 0.987 -0.1390 0.5185 -0.4625
2157MeOH O2 6470 4.889 3.544 1.063 0.5548 -0.1766 0.1496
2157MeOH H3 6471 4.985 3.557 1.036 0.0934 0.5425 -1.2352
2158MeOH Me1 6472 1.378 2.021 5.400 0.1238 -0.6184 -0.2958
2158MeOH O2 6473 1.269 2.007 5.505 0.0549 -0.3278 -0.3315
2158MeOH H3 6474 1.268 2.089 5.562 1.7831 -1.2502 1.1175
2159MeOH Me1 6475 3.178 3.332 3.601 -0.2072 0.2949 0.0991
2159MeOH O2 6476 3.206 3.220 3.701 -0.1119 0.3152 0.0949
2159MeOH H3 6477 3.122 3.199 3.749 -0.4523 -0.7563 -0.9253
2160MeOH Me1 6478 1.813 1.887 0.665 -0.2030 0.0641 -0.0750
2160MeOH O2 6479 1.738 1.770 0.729 0.5266 -0.2316 0.2537
2160MeOH H3 6480 1.640 1.785 0.716 0.3416 0.0574 1.8280
2161MeOH Me1 6481 2.415 0.091 4.447 0.3505 0.1908 -0.0541
2161MeOH O2 6482 2.277 0.146 4.484 0.3685 0.0265 0.2557
2161MeOH H3 6483 2.254 0.219 4.421 0.2924 0.2402 0.5266
2162MeOH Me1 6484 4.582 0.114 0.160 0.2733 0.1231 -0.7106
2162MeOH O2 6485 4.535 -0.016 0.224 0.3085 0.5077 0.1125
2162MeOH H3 6486 4.473 0.006 0.300 -1.6215 0.9860 -1.4974
2163MeOH Me1 6487 0.542 0.490 6.664 0.5055 0.1148 0.2938
2163MeOH O2 6488 0.451 0.602 6.714 -0.1121 -0.2804 0.0664
2163MeOH H3 6489 0.459 0.680 6.652 -0.5640 -0.3700 -0.1086
2164MeOH Me1 6490 1.815 5.001 4.361 -0.3475 0.3419 -0.2777
2164MeOH O2 6491 1.720 4.892 4.311 -0.3329 0.2044 -0.0088
2164MeOH H3 6492 1.772 4.831 4.251 -0.1299 -0.3991 0.7677
2165MeOH Me1 6493 0.328 2.247 10.235 0.2041 -0.1027 -0.0206
2165MeOH O2 6494 0.362 2.147 10.346 -0.5067 -0.4597 -0.1106
2165MeOH H3 6495 0.442 2.094 10.319 1.0644 1.1344 1.1203
2166MeOH Me1 6496 0.448 1.995 9.559 0.1280 0.1807 -0.0971
2166MeOH O2 6497 0.451 1.859 9.489 0.5334 0.2102 -0.1359
2166MeOH H3 6498 0.368 1.849 9.435 1.3884 0.7622 -1.6237
2167MeOH Me1 6499 0.362 0.149 3.190 0.0784 0.3595 0.7891
2167MeOH O2 6500 0.429 0.280 3.147 -0.0173 0.0432 -0.3640
2167MeOH H3 6501 0.377 0.319 3.071 -1.6938 0.7476 1.0965
2168MeOH Me1 6502 3.413 3.433 8.944 -0.3321 0.0188 -0.2066
2168MeOH O2 6503 3.399 3.582 8.977 -0.7317 -0.0455 -0.0713
2168MeOH H3 6504 3.325 3.593 9.042 0.2679 -0.4899 1.1900
2169MeOH Me1 6505 1.528 3.188 7.245 -0.3089 -0.3319 0.5633
2169MeOH O2 6506 1.648 3.237 7.325 -0.1111 0.2644 -0.0919
2169MeOH H3 6507 1.692 3.311 7.274 0.4132 -0.8361 -1.2581
2170MeOH Me1 6508 2.303 3.242 10.749 -0.1047 0.5444 -0.6539
2170MeOH O2 6509 2.447 3.293 10.762 0.1362 -0.1828 -0.4438
2170MeOH H3 6510 2.454 3.382 10.718 0.5058 0.0656 0.1017
2171MeOH Me1 6511 4.182 1.720 0.593 -0.0160 -0.3883 -0.2156
2171MeOH O2 6512 4.293 1.673 0.687 0.5852 0.2175 -0.6084
2171MeOH H3 6513 4.379 1.718 0.661 0.0633 1.4234 -0.3278
2172MeOH Me1 6514 1.058 4.338 5.700 0.3078 -0.4477 -0.2158
2172MeOH O2 6515 1.010 4.192 5.697 -0.1756 -0.2984 0.1043
2172MeOH H3 6516 0.983 4.166 5.790 0.7468 -0.3343 0.3749
2173MeOH Me1 6517 1.481 4.492 6.705 -0.7155 -0.0176 0.2817
2173MeOH O2 6518 1.336 4.480 6.660 -0.5697 -0.4190 -0.0822
2173MeOH H3 6519 1.276 4.491 6.739 -0.8608 1.2187 -0.4903
2174MeOH Me1 6520 2.839 4.033 6.024 0.4447 -0.1595 -0.3047
2174MeOH O2 6521 2.733 4.013 5.916 -0.1284 0.0514 0.2131
2174MeOH H3 6522 2.652 4.066 5.941 -0.7588 -1.5448 1.7627
2175MeOH Me1 6523 1.547 1.943 6.620 -0.1682 0.0842 -0.7465
2175MeOH O2 6524 1.611 1.834 6.707 -0.0681 0.7188 -0.0156
2175MeOH H3 6525 1.689 1.796 6.658 -0.5586 -0.1464 -0.1551
2176MeOH Me1 6526 2.893 4.131 4.136 -0.0344 0.0913 0.4293
2176MeOH O2 6527 2.826 4.007 4.197 -0.1582 0.1355 0.3852
2176MeOH H3 6528 2.766 3.967 4.128 0.0880 0.0052 0.2432
2177MeOH Me1 6529 0.473 2.581 3.408 -0.2430 0.0762 0.1385
2177MeOH O2 6530 0.545 2.716 3.400 0.0380 -0.0784 0.0427
2177MeOH H3 6531 0.637 2.705 3.437 0.5462 -0.6211 -1.3248
2178MeOH Me1 6532 1.535 2.932 0.893 0.2305 -0.2573 0.1026
2178MeOH O2 6533 1.597 2.804 0.837 0.9443 0.1862 -0.1392
2178MeOH H3 6534 1.688 2.825 0.802 1.0098 0.6577 0.2982
2179MeOH Me1 6535 1.874 0.525 7.371 0.1456 0.3420 -0.3427
2179MeOH O2 6536 1.948 0.591 7.255 0.6910 -0.1850 -0.3003
2179MeOH H3 6537 1.953 0.525 7.179 -0.5325 0.0650 -0.6165
2180MeOH Me1 6538 2.126 4.749 5.134 0.5310 -0.6953 0.0026
2180MeOH O2 6539 2.200 4.881 5.158 -0.1295 -0.3132 -0.0312
2180MeOH H3 6540 2.162 4.950 5.098 -0.3762 -0.5603 -0.1610
2181MeOH Me1 6541 4.928 4.788 7.688 0.2176 -0.5580 -0.0308
2181MeOH O2 6542 4.834 4.708 7.778 0.0518 -0.2515 0.0727
2181MeOH H3 6543 4.846 4.739 7.873 0.7028 -0.7077 0.1455
2182MeOH Me1 6544 2.590 0.090 8.601 -0.0722 0.4762 0.5553
2182MeOH O2 6545 2.518 0.015 8.714 -0.2293 0.3847 0.3952
2182MeOH H3 6546 2.423 0.046 8.716 -0.0843 0.8194 0.6697
2183MeOH Me1 6547 0.832 1.229 9.433 0.6113 -0.8043 -0.1394
2183MeOH O2 6548 0.917 1.336 9.500 -0.1327 -0.3760 0.1394
2183MeOH H3 6549 1.012 1.304 9.502 0.1497 0.4154 -0.2407
2184MeOH Me1 6550 4.743 5.105 7.509 0.2302 0.2510 0.4426
2184MeOH O2 6551 4.672 4.971 7.487 0.4934 0.1161 0.4371
2184MeOH H3 6552 4.585 4.973 7.535 1.0539 -0.5592 1.5261
2185MeOH Me1 6553 1.763 2.760 9.988 -0.7651 0.2056 0.2539
2185MeOH O2 6554 1.789 2.622 10.047 0.1812 0.1893 -0.1947
2185MeOH H3 6555 1.827 2.563 9.975 -0.5686 0.3286 -0.7073
2186MeOH Me1 6556 0.837 1.837 29.888 -0.1517 0.1668 0.3571
2186MeOH O2 6557 0.833 1.986 29.924 -0.0183 0.2297 0.1064
2186MeOH H3 6558 0.802 1.996 30.018 -1.5100 0.4943 -0.3865
2187MeOH Me1 6559 3.626 4.630 0.609 -0.1568 0.1787 0.3773
2187MeOH O2 6560 3.744 4.704 0.671 -0.1039 0.1636 0.2938
2187MeOH H3 6561 3.815 4.637 0.694 -0.2469 0.1089 0.5862
2188MeOH Me1 6562 0.348 4.910 3.941 -0.3443 0.6477 0.1850
2188MeOH O2 6563 0.217 4.937 3.867 -0.4358 0.2722 0.2078
2188MeOH H3 6564 0.163 5.002 3.920 -1.6594 -1.6511 1.4072
2189MeOH Me1 6565 1.735 5.109 10.988 -0.3455 0.6737 -0.7919
2189MeOH O2 6566 1.715 4.970 10.926 0.3658 0.1611 0.1112
2189MeOH H3 6567 1.619 4.945 10.935 0.4847 -0.2650 0.2337
2190MeOH Me1 6568 3.644 1.397 2.266 0.1629 -0.3021 -0.5629
2190MeOH O2 6569 3.686 1.482 2.386 0.1137 -0.4000 -0.4764
2190MeOH H3 6570 3.604 1.518 2.430 0.1294 1.5905 -1.9301
2191MeOH Me1 6571 2.334 3.699 29.913 -0.1549 -0.4250 0.0489
2191MeOH O2 6572 2.268 3.774 30.029 -0.0094 -0.0625 -0.1027
2191MeOH H3 6573 2.169 3.779 30.011 0.0907 0.7506 -0.4821
2192MeOH Me1 6574 4.691 4.202 7.980 -0.0417 -0.0030 0.0937
2192MeOH O2 6575 4.686 4.180 8.131 -0.4400 -0.0439 0.0755
2192MeOH H3 6576 4.602 4.130 8.153 -1.3521 1.3860 0.0272
2193MeOH Me1 6577 2.098 2.598 1.708 0.6728 0.2503 0.8797
2193MeOH O2 6578 2.044 2.736 1.666 -0.1539 -0.3944 -0.2750
2193MeOH H3 6579 2.122 2.795 1.646 -0.4681 0.1818 0.1837
2194MeOH Me1 6580 4.948 2.682 3.219 -0.4464 -0.2234 -0.4331
2194MeOH O2 6581 4.964 2.617 3.356 0.0699 -0.5231 -0.6376
2194MeOH H3 6582 4.959 2.517 3.344 0.9886 -0.5476 -0.9647
2195MeOH Me1 6583 3.160 4.242 2.749 0.4414 -0.0881 0.2863
2195MeOH O2 6584 3.134 4.227 2.899 -0.5904 0.5969 0.1970
2195MeOH H3 6585 3.211 4.269 2.948 1.2121 -2.7246 0.4836
2196MeOH Me1 6586 1.631 4.529 7.082 0.0044 0.1176 -0.3380
2196MeOH O2 6587 1.515 4.620 7.042 0.0865 0.1957 -0.3985
2196MeOH H3 6588 1.432 4.587 7.087 0.5346 1.9091 1.8792
2197MeOH Me1 6589 0.652 2.444 10.491 0.1748 -0.0996 0.0852
2197MeOH O2 6590 0.794 2.445 10.550 0.3062 -0.2598 -0.2210
2197MeOH H3 6591 0.817 2.352 10.577 1.8677 -1.1932 -4.0526
2198MeOH Me1 6592 0.642 4.121 6.295 -0.1903 -0.4801 -0.2231
2198MeOH O2 6593 0.549 4.120 6.174 -0.2169 0.2750 -0.2138
2198MeOH H3 6594 0.586 4.181 6.104 -0.3437 0.8749 0.2416
2199MeOH Me1 6595 4.422 4.724 8.153 -0.3921 0.1282 0.2410
2199MeOH O2 6596 4.325 4.754 8.039 -0.4714 0.2956 0.3531
2199MeOH H3 6597 4.378 4.769 7.955 -0.4043 2.0130 0.6709
2200MeOH Me1 6598 2.783 3.326 29.364 0.3759 -0.4224 0.2357
2200MeOH O2 6599 2.764 3.188 29.301 0.3422 -0.2167 -0.2122
2200MeOH H3 6600 2.669 3.160 29.313 0.1487 0.0907 -0.9677
2201MeOH Me1 6601 0.623 2.626 7.376 0.0598 0.2842 -0.2274
2201MeOH O2 6602 0.516 2.735 7.369 -0.5231 -0.2691 -0.1054
2201MeOH H3 6603 0.537 2.805 7.438 0.0339 0.5818 -1.1129
2202MeOH Me1 6604 3.747 2.057 7.671 -0.1971 0.0209 0.5231
2202MeOH O2 6605 3.611 2.026 7.607 0.0264 -0.3226 0.2104
2202MeOH H3 6606 3.540 2.074 7.659 -0.2380 -0.6754 0.1803
2203MeOH Me1 6607 1.380 4.185 6.483 0.2457 0.0199 0.1206
2203MeOH O2 6608 1.530 4.166 6.503 0.2433 0.0747 0.3090
2203MeOH H3 6609 1.577 4.186 6.417 0.2150 -1.2585 -0.0400
2204MeOH Me1 6610 1.768 1.473 1.234 -0.0604 -0.4881 0.1705
2204MeOH O2 6611 1.850 1.503 1.360 -0.2872 0.1706 0.1645
2204MeOH H3 6612 1.947 1.497 1.337 -0.2424 -0.1497 0.4277
2205MeOH Me1 6613 4.599 0.896 3.890 -0.5823 0.3377 -0.5428
2205MeOH O2 6614 4.543 0.789 3.984 0.3181 0.6412 0.3572
2205MeOH H3 6615 4.509 0.713 3.929 0.2131 0.2480 0.9548
2206MeOH Me1 6616 3.700 0.344 2.122 0.2008 0.1355 0.0646
2206MeOH O2 6617 3.647 0.487 2.118 0.3247 0.1915 0.4124
2206MeOH H3 6618 3.724 0.550 2.127 0.3276 0.0988 1.0451
2207MeOH Me1 6619 2.956 2.748 5.160 -0.8042 -0.1993 0.2161
2207MeOH O2 6620 2.996 2.875 5.236 -0.3378 -0.3955 0.2994
2207MeOH H3 6621 2.935 2.885 5.315 0.6521 -1.0335 1.1711
2208MeOH Me1 6622 3.877 2.644 3.618 0.3465 -0.7046 -0.5772
2208MeOH O2 6623 3.889 2.679 3.470 -0.6103 0.4946 -0.3815
2208MeOH H3 6624 3.801 2.715 3.439 -0.9397 0.3544 0.3716
2209MeOH Me1 6625 3.495 3.122 10.284 0.2246 -0.3350 -0.2684
2209MeOH O2 6626 3.457 3.072 10.424 -0.2380 0.1640 -0.2177
2209MeOH H3 6627 3.400 3.142 10.467 2.8944 2.2235 0.9202
2210MeOH Me1 6628 4.790 4.854 1.298 0.3823 0.3582 -0.2375
2210MeOH O2 6629 4.660 4.928 1.333 0.4519 0.2123 0.3453
2210MeOH H3 6630 4.583 4.867 1.312 0.4694 -0.6214 2.5014
2211MeOH Me1 6631 -0.088 4.470 6.022 0.0983 0.8563 0.1590
2211MeOH O2 6632 0.055 4.456 6.074 -0.0230 -0.0843 0.2523
2211MeOH H3 6633 0.067 4.363 6.109 -0.9806 0.1492 1.2583
2212MeOH Me1 6634 3.915 5.045 3.524 0.2428 -0.0489 -0.2210
2212MeOH O2 6635 3.891 5.043 3.373 0.1312 -0.4339 -0.1974
2212MeOH H3 6636 3.842 4.958 3.350 -0.3738 -0.2353 0.1247
2213MeOH Me1 6637 3.007 0.622 4.665 -0.2654 0.4281 0.1297
2213MeOH O2 6638 3.103 0.591 4.550 -0.2051 0.1707 0.2502
2213MeOH H3 6639 3.050 0.562 4.471 -0.1955 0.5119 0.1190
2214MeOH Me1 6640 2.397 1.790 0.027 -0.1747 0.1031 -0.4718
2214MeOH O2 6641 2.266 1.771 0.103 0.1398 -0.0241 0.0424
2214MeOH H3 6642 2.247 1.855 0.155 0.8562 -0.4774 1.0742
2215MeOH Me1 6643 3.185 2.721 1.946 -0.5654 -0.5272 -0.6287
2215MeOH O2 6644 3.049 2.658 1.979 -0.4306 -0.5108 -0.0119
2215MeOH H3 6645 3.049 2.634 2.076 0.2818 -1.1725 -0.1636
2216MeOH Me1 6646 1.444 3.823 7.035 -0.4973 -0.6447 -0.4933
2216MeOH O2 6647 1.516 3.810 6.900 0.6527 -0.1761 0.0654
2216MeOH H3 6648 1.481 3.879 6.838 1.2416 0.0922 0.0242
2217MeOH Me1 6649 4.329 3.291 0.074 -0.2797 -0.0301 -0.1242
2217MeOH O2 6650 4.322 3.148 0.128 0.2429 -0.0857 -0.1994
2217MeOH H3 6651 4.369 3.087 0.064 -0.1458 0.0075 -0.5709
2218MeOH Me1 6652 0.782 0.248 6.599 0.1874 0.6699 0.7231
2218MeOH O2 6653 0.859 0.151 6.690 0.0482 0.3378 0.4882
2218MeOH H3 6654 0.945 0.194 6.716 -0.6727 0.9211 2.0562
2219MeOH Me1 6655 2.035 4.088 6.590 -0.0587 -0.1299 -0.2982
2219MeOH O2 6656 2.116 4.209 6.639 -0.1304 -0.2668 0.1666
2219MeOH H3 6657 2.193 4.176 6.693 0.2264 -0.4617 -0.4529
2220MeOH Me1 6658 4.538 3.947 29.814 -0.7024 0.2250 0.6630
2220MeOH O2 6659 4.503 3.805 29.768 -0.0381 0.2834 -0.0376
2220MeOH H3 6660 4.509 3.802 29.668 -1.1210 1.1235 -0.1462
2221MeOH Me1 6661 2.906 4.903 2.010 0.2199 0.5606 -0.2855
2221MeOH O2 6662 2.767 4.881 1.950 -0.0221 0.3144 0.3482
2221MeOH H3 6663 2.759 4.785 1.922 0.9606 0.8086 -1.8924
2222MeOH Me1 6664 0.362 4.271 10.850 -0.2909 0.1284 -0.9431
2222MeOH O2 6665 0.510 4.296 10.818 -0.0112 -0.5005 -0.1532
2222MeOH H3 6666 0.519 4.313 10.720 0.1289 2.6568 0.3080
2223MeOH Me1 6667 0.847 4.673 1.813 0.1284 -0.1271 -0.0277
2223MeOH O2 6668 0.923 4.623 1.936 0.2021 -0.4216 -0.1929
2223MeOH H3 6669 1.016 4.600 1.908 0.5530 0.7981 -0.0612
2224MeOH Me1 6670 0.481 1.507 5.700 0.3633 -0.2834 0.1143
2224MeOH O2 6671 0.553 1.375 5.730 -0.4123 -0.6931 0.1837
2224MeOH H3 6672 0.488 1.312 5.771 -0.5610 0.0384 1.1081
2225MeOH Me1 6673 4.347 4.343 6.530 -0.0600 0.6680 0.3478
2225MeOH O2 6674 4.499 4.340 6.525 -0.0956 -0.1895 -0.5280
2225MeOH H3 6675 4.534 4.431 6.546 0.5249 -0.1971 -1.4770
2226MeOH Me1 6676 1.402 3.643 2.126 -0.8326 0.5574 -0.0975
2226MeOH O2 6677 1.424 3.667 1.976 0.5114 0.2972 0.0437
2226MeOH H3 6678 1.380 3.592 1.925 -1.0730 1.3923 -0.2852
2227MeOH Me1 6679 3.039 3.359 0.126 -0.3247 0.0809 -0.2475
2227MeOH O2 6680 2.981 3.491 0.178 0.0509 -0.0919 0.6285
2227MeOH H3 6681 2.883 3.493 0.158 -0.1126 -0.0421 1.3999
2228MeOH Me1 6682 3.416 2.242 0.116 0.1885 0.0598 -0.1427
2228MeOH O2 6683 3.393 2.284 -0.029 -0.2571 -0.7475 -0.3072
2228MeOH H3 6684 3.315 2.231 -0.065 -1.9550 0.7485 0.9769
2229MeOH Me1 6685 2.351 0.624 4.456 0.4901 -0.7064 -0.4298
2229MeOH O2 6686 2.316 0.591 4.311 -0.2136 -0.4069 -0.3345
2229MeOH H3 6687 2.378 0.643 4.251 -0.8532 0.1286 -0.5396
2230MeOH Me1 6688 4.109 1.928 7.900 -0.1590 -0.2971 -0.2088
2230MeOH O2 6689 3.992 1.829 7.894 -0.0123 -0.4511 -0.5663
2230MeOH H3 6690 4.029 1.737 7.904 0.1278 -0.4372 -0.9183
2231MeOH Me1 6691 4.343 4.253 2.621 0.0242 -0.0309 0.3685
2231MeOH O2 6692 4.431 4.286 2.500 -0.0385 -0.7352 0.1292
2231MeOH H3 6693 4.371 4.310 2.424 -0.0569 -0.2030 0.3073
2232MeOH Me1 6694 0.647 2.333 6.084 0.2116 -0.0378 0.1380
2232MeOH O2 6695 0.659 2.335 5.931 0.2330 -0.1356 0.1398
2232MeOH H3 6696 0.570 2.360 5.893 0.3687 0.3643 0.1389
2233MeOH Me1 6697 0.435 2.651 6.206 0.3201 -0.5628 -0.3893
2233MeOH O2 6698 0.361 2.730 6.097 0.3977 0.1865 0.1215
2233MeOH H3 6699 0.429 2.781 6.044 0.3051 1.9431 1.5795
2234MeOH Me1 6700 3.019 3.041 9.549 -0.4722 0.2311 -0.0184
2234MeOH O2 6701 2.914 2.934 9.578 0.1354 -0.3250 0.1333
2234MeOH H3 6702 2.897 2.932 9.676 -1.3855 1.1849 -0.0603
2235MeOH Me1 6703 2.768 3.124 2.023 -0.1723 0.1180 -0.1008
2235MeOH O2 6704 2.855 3.006 1.982 -0.1796 0.0515 0.0754
2235MeOH H3 6705 2.834 2.982 1.887 -0.3630 -0.2519 0.1934
2236MeOH Me1 6706 4.656 1.055 5.093 0.6520 -0.2347 0.3312
2236MeOH O2 6707 4.739 0.969 4.997 0.1144 -0.2779 -0.1005
2236MeOH H3 6708 4.835 0.995 5.005 0.1407 -0.1423 -0.7925
2237MeOH Me1 6709 4.635 4.212 9.460 -0.5877 -0.2240 -0.4207
2237MeOH O2 6710 4.489 4.209 9.504 -0.7590 0.7755 -0.8794
2237MeOH H3 6711 4.483 4.246 9.597 -0.3525 -1.6860 0.2223
2238MeOH Me1 6712 1.689 0.619 5.641 0.2851 0.4948 0.0224
2238MeOH O2 6713 1.657 0.568 5.782 0.2397 -0.1341 -0.2097
2238MeOH H3 6714 1.633 0.647 5.839 2.0506 -0.1396 0.6351
2239MeOH Me1 6715 0.066 2.353 6.076 -0.0637 -0.2214 -0.0746
2239MeOH O2 6716 0.119 2.210 6.090 -0.1996 -0.2624 0.0219
2239MeOH H3 6717 0.151 2.197 6.183 -0.2566 -0.2444 0.0435
2240MeOH Me1 6718 0.744 3.376 1.649 -0.3432 -0.5243 -0.0916
2240MeOH O2 6719 0.870 3.437 1.586 -0.8798 0.3022 -0.3845
2240MeOH H3 6720 0.844 3.519 1.536 -1.7929 -0.7008 -1.6301
2241MeOH Me1 6721 0.858 3.842 5.012 0.0236 -0.1956 -0.3490
2241MeOH O2 6722 0.977 3.856 5.107 -0.1853 -0.1494 -0.0953
2241MeOH H3 6723 0.978 3.776 5.168 -0.5422 0.0683 0.1999
2242MeOH Me1 6724 2.138 4.739 3.627 0.0038 0.2850 -0.1726
2242MeOH O2 6725 2.069 4.864 3.681 0.3535 0.2445 0.3783
2242MeOH H3 6726 1.997 4.836 3.744 0.9007 0.2033 0.9865
2243MeOH Me1 6727 3.834 3.152 8.755 -0.0593 -0.3636 0.3329
2243MeOH O2 6728 3.865 3.003 8.737 0.2301 -0.2328 -0.2598
2243MeOH H3 6729 3.923 2.973 8.813 -1.5632 -0.9330 0.9398
2244MeOH Me1 6730 3.315 5.025 8.890 0.4336 -0.3574 0.0655
2244MeOH O2 6731 3.364 4.892 8.948 0.2722 -0.4574 -0.0344
2244MeOH H3 6732 3.418 4.912 9.030 1.9358 -0.4505 -1.0744
2245MeOH Me1 6733 1.550 2.678 10.521 0.0937 -0.2879 0.0774
2245MeOH O2 6734 1.440 2.773 10.570 0.5698 0.2880 0.0360
2245MeOH H3 6735 1.395 2.732 10.648 -0.7809 -0.2551 -0.9921
2246MeOH Me1 6736 4.453 2.217 3.650 0.5102 -0.0598 0.0731
2246MeOH O2 6737 4.416 2.365 3.661 -0.1928 -0.2134 -0.1225
2246MeOH H3 6738 4.322 2.372 3.695 -0.2895 -0.6151 -0.3027
2247MeOH Me1 6739 1.051 0.749 2.742 0.1663 0.0848 0.3198
2247MeOH O2 6740 1.008 0.827 2.866 -0.1844 0.4351 -0.0177
2247MeOH H3 6741 1.057 0.790 2.945 0.2411 1.2289 0.0946
2248MeOH Me1 6742 4.542 4.368 2.122 -0.2451 -0.6262 -0.8510
2248MeOH O2 6743 4.624 4.483 2.063 -0.2778 -0.2448 -0.2084
2248MeOH H3 6744 4.717 4.449 2.046 -0.8192 -0.7991 -2.4190
2249MeOH Me1 6745 1.628 2.958 4.610 0.2858 0.5052 0.6211
2249MeOH O2 6746 1.484 2.999 4.642 -0.2119 -0.5299 -0.2339
2249MeOH H3 6747 1.432 2.998 4.556 0.3183 -0.8264 -0.5629
2250MeOH Me1 6748 0.816 3.188 1.898 -0.3510 0.0694 -0.2008
2250MeOH O2 6749 0.823 3.138 2.043 -0.2054 0.0404 -0.2175
2250MeOH H3 6750 0.857 3.044 2.042 -0.6038 -0.1063 -0.3044
2251MeOH Me1 6751 2.340 1.785 1.503 0.0736 -0.1938 -0.1085
2251MeOH O2 6752 2.283 1.889 1.599 0.3103 0.0098 -0.1894
2251MeOH H3 6753 2.237 1.842 1.674 -0.8249 0.1560 -0.7661
2252MeOH Me1 6754 2.818 2.250 3.487 -0.5237 0.3767 -0.1485
2252MeOH O2 6755 2.789 2.386 3.421 0.0146 0.4122 -0.3382
2252MeOH H3 6756 2.717 2.431 3.474 1.4683 1.5835 0.7037
2253MeOH Me1 6757 4.336 3.346 6.228 -0.0373 -0.4559 0.3861
2253MeOH O2 6758 4.255 3.471 6.264 -0.0976 -0.6318 0.8828
2253MeOH H3 6759 4.265 3.537 6.189 -1.3398 -0.9138 0.4359
2254MeOH Me1 6760 3.323 3.914 9.117 -0.1687 0.3243 0.3896
2254MeOH O2 6761 3.447 3.826 9.095 -0.3763 0.0192 0.4363
2254MeOH H3 6762 3.422 3.752 9.032 -0.4602 0.2401 0.2102
2255MeOH Me1 6763 1.273 4.489 4.544 -0.1562 0.0570 -0.7261
2255MeOH O2 6764 1.367 4.376 4.502 -0.0017 0.0044 -0.2440
2255MeOH H3 6765 1.452 4.416 4.470 0.6686 -0.0740 1.3248
2256MeOH Me1 6766 3.883 4.261 29.495 -0.1487 0.2325 0.4563
2256MeOH O2 6767 3.752 4.323 29.545 -0.4177 0.3641 -0.3943
2256MeOH H3 6768 3.763 4.423 29.545 -0.4129 0.3643 -0.5801
2257MeOH Me1 6769 0.135 4.324 0.478 -0.0816 0.0299 0.3209
2257MeOH O2 6770 0.286 4.350 0.464 0.0268 -0.7586 -0.0336
2257MeOH H3 6771 0.335 4.276 0.509 -0.2333 -1.5914 -1.0781
2258MeOH Me1 6772 0.170 0.913 5.720 0.2519 0.0031 -0.3793
2258MeOH O2 6773 0.318 0.876 5.732 0.3976 0.4781 -0.6983
2258MeOH H3 6774 0.345 0.828 5.648 0.5410 1.1464 -1.0349
2259MeOH Me1 6775 1.619 3.888 0.481 -0.3101 0.4802 -0.3560
2259MeOH O2 6776 1.562 3.748 0.458 0.6305 0.0445 -0.1061
2259MeOH H3 6777 1.509 3.749 0.373 -1.1952 0.1370 0.9587
2260MeOH Me1 6778 4.456 3.269 7.202 -0.1984 -0.1882 -0.1869
2260MeOH O2 6779 4.357 3.208 7.301 0.0733 0.6061 0.5829
2260MeOH H3 6780 4.401 3.131 7.348 -0.2517 0.1066 0.0725
2261MeOH Me1 6781 1.328 4.932 2.646 -0.5352 -0.1644 -0.5845
2261MeOH O2 6782 1.338 4.844 2.770 0.2253 0.1134 -0.4505
2261MeOH H3 6783 1.322 4.900 2.851 -1.9875 -0.1810 -0.6213
2262MeOH Me1 6784 4.470 2.614 2.488 -0.1403 -0.3612 -0.1439
2262MeOH O2 6785 4.357 2.513 2.507 -0.4584 0.0506 0.1769
2262MeOH H3 6786 4.281 2.559 2.554 -0.2970 0.4224 0.0781
2263MeOH Me1 6787 4.264 2.114 0.704 0.4477 0.1747 -0.0267
2263MeOH O2 6788 4.246 2.266 0.705 0.6790 0.2006 0.0345
2263MeOH H3 6789 4.304 2.305 0.634 2.4596 0.3539 1.5121
2264MeOH Me1 6790 2.281 1.924 7.489 1.1728 -0.3532 0.0537
2264MeOH O2 6791 2.306 2.004 7.361 -0.3445 -0.2527 -0.1918
2264MeOH H3 6792 2.293 1.944 7.283 -1.5228 -0.1402 -0.1001
2265MeOH Me1 6793 1.904 0.886 7.023 -0.2436 0.1355 -0.4642
2265MeOH O2 6794 1.823 1.013 6.998 -0.0841 0.3466 0.0857
2265MeOH H3 6795 1.859 1.086 7.057 0.3454 0.1886 0.0231
2266MeOH Me1 6796 2.721 3.926 8.660 -0.2378 0.3786 -0.2482
2266MeOH O2 6797 2.799 3.999 8.551 -0.4047 0.1787 -0.5018
2266MeOH H3 6798 2.826 3.933 8.481 -0.2660 0.0019 -0.2802
2267MeOH Me1 6799 2.032 5.024 2.871 -0.0167 -0.2105 -0.3305
2267MeOH O2 6800 2.090 4.898 2.806 0.0890 -0.1809 -0.2929
2267MeOH H3 6801 2.190 4.907 2.805 0.1308 -0.5125 0.5372
2268MeOH Me1 6802 2.394 4.296 7.087 0.5361 0.2561 -0.2962
2268MeOH O2 6803 2.439 4.311 6.941 1.1907 -0.2884 -0.1555
2268MeOH H3 6804 2.535 4.340 6.940 1.4383 -1.0706 0.1556
2269MeOH Me1 6805 4.239 2.333 4.660 -0.1324 -0.2324 -0.5588
2269MeOH O2 6806 4.170 2.425 4.760 0.2136 -0.2857 -0.2694
2269MeOH H3 6807 4.184 2.389 4.852 2.5541 0.9228 -0.0820
2270MeOH Me1 6808 1.380 3.032 3.010 -0.6735 -0.4814 0.4452
2270MeOH O2 6809 1.276 3.027 2.898 0.7660 -0.4510 -0.9257
2270MeOH H3 6810 1.267 2.932 2.867 0.9015 -0.4973 -0.8249
2271MeOH Me1 6811 3.253 3.648 1.820 -0.2200 0.3714 -0.1351
2271MeOH O2 6812 3.177 3.595 1.699 0.0448 0.0448 -0.1594
2271MeOH H3 6813 3.141 3.504 1.721 -0.9703 0.5734 0.4079
2272MeOH Me1 6814 4.745 4.103 1.654 -0.1699 -0.5503 0.5726
2272MeOH O2 6815 4.594 4.080 1.650 -0.1323 -0.6901 -0.2130
2272MeOH H3 6816 4.563 4.053 1.741 -0.7091 0.1032 -0.1593
2273MeOH Me1 6817 0.846 3.623 9.292 0.2310 -0.0091 0.5981
2273MeOH O2 6818 0.885 3.486 9.346 -0.0219 -0.4722 -0.3575
2273MeOH H3 6819 0.805 3.445 9.390 0.0797 -0.3439 -0.0452
2274MeOH Me1 6820 3.574 4.790 1.945 0.1683 0.1843 -0.1634
2274MeOH O2 6821 3.717 4.832 1.979 0.0322 0.4337 0.0906
2274MeOH H3 6822 3.732 4.816 2.077 1.3348 -3.9476 -0.6308
2275MeOH Me1 6823 0.297 1.002 1.485 -0.3701 0.2217 0.6106
2275MeOH O2 6824 0.266 0.879 1.571 -0.0356 -0.1155 0.2518
2275MeOH H3 6825 0.347 0.857 1.625 0.1305 -0.2471 -0.0488
2276MeOH Me1 6826 3.880 0.560 5.349 0.0961 0.6543 0.4530
2276MeOH O2 6827 3.906 0.601 5.494 -0.2680 0.1991 0.6451
2276MeOH H3 6828 3.819 0.625 5.536 -0.4855 -0.6938 0.7424
2277MeOH Me1 6829 2.707 0.195 6.989 -0.1064 0.3618 0.2150
2277MeOH O2 6830 2.678 0.253 6.851 0.0065 0.2364 0.1394
2277MeOH H3 6831 2.644 0.180 6.792 -1.7697 0.5656 0.7194
2278MeOH Me1 6832 2.252 5.005 6.218 -0.2504 -0.2844 -0.5434
2278MeOH O2 6833 2.361 4.921 6.150 0.2636 -0.0971 0.0145
2278MeOH H3 6834 2.339 4.914 6.053 3.1712 3.7906 -1.1458
2279MeOH Me1 6835 0.252 5.107 29.922 -0.4369 -0.4988 0.2846
2279MeOH O2 6836 0.161 4.984 29.918 -0.2963 -0.6161 0.7191
2279MeOH H3 6837 0.215 4.904 29.943 0.1785 -0.6974 -0.5048
2280MeOH Me1 6838 2.913 1.801 4.358 -0.1203 -0.0511 0.2512
2280MeOH O2 6839 2.966 1.816 4.501 -0.1499 -0.3004 0.2721
2280MeOH H3 6840 3.061 1.848 4.496 -0.2073 -0.1111 0.3540
2281MeOH Me1 6841 4.245 1.350 7.551 -0.0488 0.1274 -0.0180
2281MeOH O2 6842 4.142 1.263 7.622 -0.0056 0.0001 -0.1100
2281MeOH H3 6843 4.054 1.272 7.575 -0.1840 0.5621 0.3211
2282MeOH Me1 6844 4.665 1.244 7.296 -0.2835 0.3748 -0.0456
2282MeOH O2 6845 4.682 1.348 7.184 0.1735 0.1980 -0.1424
2282MeOH H3 6846 4.740 1.308 7.113 -0.9070 -0.5564 -0.6393
2283MeOH Me1 6847 4.269 4.372 4.932 0.5127 -0.1509 -0.1140
2283MeOH O2 6848 4.283 4.481 4.825 -0.3828 0.3492 0.2632
2283MeOH H3 6849 4.341 4.554 4.861 -0.4458 0.3890 0.2839
2284MeOH Me1 6850 0.088 3.909 10.625 0.2822 -0.2009 -0.0673
2284MeOH O2 6851 0.136 3.787 10.546 0.3716 -0.0737 -0.2111
2284MeOH H3 6852 0.214 3.813 10.490 0.9683 -0.1641 0.5546
2285MeOH Me1 6853 0.900 1.964 2.830 0.3064 0.3286 -0.0219
2285MeOH O2 6854 0.834 2.096 2.871 -0.4085 -0.1137 0.2417
2285MeOH H3 6855 0.771 2.124 2.798 -0.3880 -0.1866 0.1957
2286MeOH Me1 6856 1.219 4.922 4.343 0.1315 0.1474 0.1721
2286MeOH O2 6857 1.263 4.843 4.466 0.2728 -0.2329 -0.1226
2286MeOH H3 6858 1.344 4.886 4.504 1.0876 -1.0915 -0.8286
2287MeOH Me1 6859 1.884 1.549 10.783 -0.2492 0.0395 0.0962
2287MeOH O2 6860 1.966 1.561 10.654 0.5430 0.0236 0.5904
2287MeOH H3 6861 2.041 1.626 10.670 -0.3207 1.0237 0.6612
2288MeOH Me1 6862 0.758 2.168 3.659 -0.3080 0.2127 -0.1437
2288MeOH O2 6863 0.834 2.284 3.725 -0.2647 0.1253 -0.0369
2288MeOH H3 6864 0.769 2.339 3.777 -0.1507 -0.1815 0.4305
2289MeOH Me1 6865 3.391 0.451 5.904 0.2438 0.2175 -0.1908
2289MeOH O2 6866 3.381 0.604 5.912 -0.2820 0.1634 0.2392
2289MeOH H3 6867 3.416 0.633 6.001 -1.0356 -0.0190 0.6045
2290MeOH Me1 6868 4.736 4.904 10.425 -0.2863 -0.3657 0.0775
2290MeOH O2 6869 4.803 4.853 10.297 0.0271 0.0399 0.0769
2290MeOH H3 6870 4.784 4.918 10.224 3.1822 2.2372 0.9873
2291MeOH Me1 6871 3.142 4.594 9.620 -0.1567 -0.0180 0.3583
2291MeOH O2 6872 3.205 4.539 9.749 -0.2179 -0.8151 0.0495
2291MeOH H3 6873 3.273 4.604 9.781 -2.6799 0.8276 2.4157
2292MeOH Me1 6874 2.495 1.510 7.694 0.1313 0.1886 0.3475
2292MeOH O2 6875 2.534 1.635 7.614 -0.0657 0.1499 0.1893
2292MeOH H3 6876 2.605 1.610 7.549 -0.3926 0.0680 -0.1336
2293MeOH Me1 6877 3.475 -0.089 10.882 -0.3405 0.2892 0.7230
2293MeOH O2 6878 3.533 0.046 10.837 0.2613 -0.0624 0.4456
2293MeOH H3 6879 3.460 0.114 10.839 0.3124 0.0362 -0.6942
2294MeOH Me1 6880 4.026 2.385 5.386 0.3866 0.4345 0.0172
2294MeOH O2 6881 4.036 2.330 5.244 -0.2636 0.2702 0.0317
2294MeOH H3 6882 3.944 2.304 5.213 -0.6568 1.7093 -0.1005
2295MeOH Me1 6883 0.225 4.804 0.986 -0.0284 -0.2580 0.2120
2295MeOH O2 6884 0.338 4.769 0.889 -0.3531 0.5073 -0.4578
2295MeOH H3 6885 0.343 4.840 0.819 -0.4536 1.1899 0.2093
2296MeOH Me1 6886 4.461 3.921 10.717 -0.2957 0.0997 0.1388
2296MeOH O2 6887 4.364 3.902 10.833 -0.0278 -0.2919 0.2995
2296MeOH H3 6888 4.271 3.896 10.797 0.0071 -1.5348 0.3701
2297MeOH Me1 6889 4.157 3.338 1.470 -0.2705 -0.0169 -0.2200
2297MeOH O2 6890 4.219 3.453 1.391 0.0400 0.0135 0.0610
2297MeOH H3 6891 4.222 3.427 1.294 0.1683 0.1551 0.0260
2298MeOH Me1 6892 0.830 0.052 1.960 0.0352 0.3677 0.3014
2298MeOH O2 6893 0.697 0.125 1.948 -0.4232 -0.5007 0.0005
2298MeOH H3 6894 0.626 0.070 1.994 -0.0089 -0.5633 0.5704
2299MeOH Me1 6895 1.222 3.696 4.489 -0.3261 -0.3023 0.4137
2299MeOH O2 6896 1.158 3.583 4.409 0.5784 -0.1709 -0.5412
2299MeOH H3 6897 1.076 3.619 4.363 -1.0662 -0.9155 1.6299
2300MeOH Me1 6898 4.249 4.960 4.163 -0.0866 0.1593 -0.1045
2300MeOH O2 6899 4.230 5.020 4.302 -0.0757 0.4829 -0.2435
2300MeOH H3 6900 4.261 4.954 4.371 -0.9533 0.2557 -0.0497
2301MeOH Me1 6901 3.158 1.859 9.173 0.0136 -0.3854 0.0383
2301MeOH O2 6902 3.222 1.920 9.048 0.3560 0.3489 0.5618
2301MeOH H3 6903 3.158 1.986 9.009 0.6125 0.8526 0.9687
2302MeOH Me1 6904 2.338 0.321 7.290 -0.1972 -0.1418 0.3529
2302MeOH O2 6905 2.485 0.297 7.251 -0.2899 -0.4026 0.1608
2302MeOH H3 6906 2.501 0.339 7.162 0.0926 1.0044 0.8768
2303MeOH Me1 6907 4.560 2.415 0.162 0.3935 0.3703 -0.0553
2303MeOH O2 6908 4.477 2.517 0.241 0.1217 0.2976 -0.2454
2303MeOH H3 6909 4.528 2.603 0.243 -0.7632 0.8941 -1.6806
2304MeOH Me1 6910 4.632 1.526 9.924 -0.0563 -0.5258 -0.1588
2304MeOH O2 6911 4.487 1.496 9.886 -0.1262 -0.1864 -0.1591
2304MeOH H3 6912 4.427 1.535 9.956 -0.0039 -0.9026 0.3550
2305MeOH Me1 6913 4.719 2.218 9.103 -0.1782 0.4378 1.0766
2305MeOH O2 6914 4.821 2.146 9.191 0.2966 0.3714 0.4975
2305MeOH H3 6915 4.851 2.063 9.144 -2.7339 -1.6481 1.7352
2306MeOH Me1 6916 0.981 3.093 8.130 0.0726 -0.2135 -0.1210
2306MeOH O2 6917 1.053 2.997 8.225 0.2800 0.2995 0.2462
2306MeOH H3 6918 1.151 3.016 8.221 0.3372 -0.1202 -0.5509
2307MeOH Me1 6919 0.774 1.764 0.934 0.1938 -0.3016 -0.3658
2307MeOH O2 6920 0.840 1.700 1.056 -0.0808 -0.0935 -0.1140
2307MeOH H3 6921 0.808 1.605 1.064 -0.6992 0.1630 0.4428
2308MeOH Me1 6922 0.357 4.684 6.685 0.3517 0.2798 -0.1787
2308MeOH O2 6923 0.472 4.586 6.710 0.0891 0.0528 0.1549
2308MeOH H3 6924 0.540 4.598 6.637 -0.0089 -0.5662 -0.0410
2309MeOH Me1 6925 0.496 2.971 6.744 0.2129 0.6372 -0.0833
2309MeOH O2 6926 0.513 2.935 6.596 0.7143 0.2603 0.0643
2309MeOH H3 6927 0.604 2.965 6.567 0.7850 0.2543 0.2771
2310MeOH Me1 6928 2.487 1.714 1.162 -0.0368 -0.2429 -0.6208
2310MeOH O2 6929 2.348 1.652 1.183 -0.0830 -0.0161 -0.2553
2310MeOH H3 6930 2.353 1.554 1.163 -0.6417 0.2507 -1.7753
2311MeOH Me1 6931 3.915 0.540 5.805 0.3578 -0.0894 0.2614
2311MeOH O2 6932 3.767 0.517 5.839 0.3314 -0.2699 0.0290
2311MeOH H3 6933 3.759 0.506 5.938 -0.0508 1.6115 0.2373
2312MeOH Me1 6934 3.489 0.674 0.263 -0.2953 -0.3206 0.3666
2312MeOH O2 6935 3.544 0.531 0.260 0.0663 -0.1826 0.2473
2312MeOH H3 6936 3.589 0.513 0.348 0.9215 0.1664 -0.1128
2313MeOH Me1 6937 1.149 1.015 2.317 -0.2791 -0.1707 0.3270
2313MeOH O2 6938 1.019 1.096 2.314 -0.1606 0.0179 0.2429
2313MeOH H3 6939 0.946 1.040 2.352 0.1052 0.7733 2.0193
2314MeOH Me1 6940 2.714 0.391 1.858 -0.0833 -0.2583 -0.4464
2314MeOH O2 6941 2.750 0.318 1.988 0.2988 -0.2782 -0.5608
2314MeOH H3 6942 2.826 0.366 2.031 2.1965 -1.7854 -2.0862
2315MeOH Me1 6943 3.805 3.593 0.645 -0.2269 -0.4032 0.1319
2315MeOH O2 6944 3.760 3.502 0.530 0.2807 -0.3550 -0.1048
2315MeOH H3 6945 3.687 3.548 0.480 1.0166 0.0091 -0.8760
2316MeOH Me1 6946 1.828 0.285 3.081 0.3597 0.2935 0.3653
2316MeOH O2 6947 1.690 0.341 3.115 0.5247 0.3447 0.9419
2316MeOH H3 6948 1.635 0.344 3.032 1.0065 2.6867 0.6428
2317MeOH Me1 6949 1.951 4.095 0.627 -0.1286 -0.5561 0.7722
2317MeOH O2 6950 1.860 4.219 0.627 0.4420 -0.1249 -0.0356
2317MeOH H3 6951 1.782 4.200 0.686 -0.0358 0.3440 -0.5171
2318MeOH Me1 6952 3.358 4.332 29.552 -0.4403 -0.2303 -0.1441
2318MeOH O2 6953 3.487 4.379 29.620 -0.1496 -0.1900 -0.7177
2318MeOH H3 6954 3.561 4.318 29.592 -0.5615 -1.1467 0.1791
2319MeOH Me1 6955 0.014 3.499 3.791 -0.1500 0.1493 -0.1883
2319MeOH O2 6956 0.162 3.504 3.753 -0.0737 0.0725 0.0930
2319MeOH H3 6957 0.174 3.574 3.682 0.5131 1.8953 1.9233
2320MeOH Me1 6958 1.576 3.956 2.161 -0.7711 -0.1310 0.8583
2320MeOH O2 6959 1.691 3.963 2.261 -0.2751 -0.3933 0.3090
2320MeOH H3 6960 1.705 4.059 2.287 -0.1981 -0.4705 0.5519
2321MeOH Me1 6961 0.247 0.088 6.453 -0.2118 -0.3516 -0.1139
2321MeOH O2 6962 0.202 0.028 6.586 0.1770 -0.2611 0.0591
2321MeOH H3 6963 0.279 0.030 6.649 0.3056 -0.0350 -0.1035
2322MeOH Me1 6964 0.869 4.499 2.969 0.1356 0.0160 0.2156
2322MeOH O2 6965 1.015 4.525 3.004 0.1292 0.0683 0.2032
2322MeOH H3 6966 1.056 4.579 2.931 -0.5688 2.2860 1.3555
2323MeOH Me1 6967 0.615 0.182 8.446 -0.4614 -0.3156 -0.3171
2323MeOH O2 6968 0.763 0.148 8.430 -0.4230 -0.2360 -0.1282
2323MeOH H3 6969 0.804 0.142 8.521 0.0259 2.2484 -0.0883
2324MeOH Me1 6970 0.707 0.837 8.485 -0.2300 0.3211 0.1108
2324MeOH O2 6971 0.570 0.904 8.475 -0.4827 -0.2360 -0.2404
2324MeOH H3 6972 0.560 0.968 8.552 -0.3474 0.7896 -1.0434
2325MeOH Me1 6973 3.563 1.619 2.961 -0.3285 -0.3891 0.1070
2325MeOH O2 6974 3.637 1.643 2.829 -0.9122 0.2746 -0.1047
2325MeOH H3 6975 3.730 1.672 2.850 -0.6351 -0.4107 -0.3510
2326MeOH Me1 6976 4.256 1.364 0.859 -0.6485 0.3941 0.3641
2326MeOH O2 6977 4.329 1.498 0.879 0.3355 -0.0520 -0.1996
2326MeOH H3 6978 4.301 1.560 0.806 0.3475 0.0363 -0.1289
2327MeOH Me1 6979 2.141 3.977 8.354 0.0964 -0.0975 -0.2810
2327MeOH O2 6980 2.236 3.883 8.429 0.1190 0.1619 0.0196
2327MeOH H3 6981 2.237 3.795 8.381 -0.8624 -0.4221 1.0293
2328MeOH Me1 6982 1.384 0.352 4.797 0.3675 0.0162 0.1740
2328MeOH O2 6983 1.484 0.245 4.841 0.2831 -0.0363 0.2441
2328MeOH H3 6984 1.435 0.159 4.852 0.1850 0.0539 0.5236
2329MeOH Me1 6985 4.267 4.627 2.190 0.1980 -0.2039 -0.1681
2329MeOH O2 6986 4.341 4.757 2.159 0.3285 -0.3370 -0.4174
2329MeOH H3 6987 4.414 4.737 2.093 1.2975 -0.8408 0.7471
2330MeOH Me1 6988 3.544 1.306 10.081 -0.1788 -0.0739 -0.1512
2330MeOH O2 6989 3.578 1.455 10.074 0.0033 -0.1044 0.0948
2330MeOH H3 6990 3.581 1.491 10.167 -0.5381 -0.1291 0.1237
2331MeOH Me1 6991 0.714 2.182 5.621 -0.1216 -0.1969 -0.3598
2331MeOH O2 6992 0.780 2.177 5.759 -0.3622 0.0180 -0.2371
2331MeOH H3 6993 0.721 2.225 5.824 -0.2575 0.5308 -0.5163
2332MeOH Me1 6994 1.574 0.784 10.447 0.0651 0.0081 -0.1522
2332MeOH O2 6995 1.660 0.680 10.375 -0.3223 -0.4744 0.0731
2332MeOH H3 6996 1.620 0.589 10.390 1.1915 -0.7690 3.2107
2333MeOH Me1 6997 0.543 3.651 2.771 0.5440 -0.1289 0.4818
2333MeOH O2 6998 0.514 3.777 2.689 0.8830 -0.4111 -0.0821
2333MeOH H3 6999 0.558 3.855 2.734 1.4087 -0.3857 -0.6349
2334MeOH Me1 7000 1.074 1.806 7.952 -0.2736 0.4048 -0.2828
2334MeOH O2 7001 0.946 1.889 7.950 -0.5673 -0.0217 0.2345
2334MeOH H3 7002 0.943 1.940 7.864 -2.2001 -1.7263 -0.7716
2335MeOH Me1 7003 0.844 0.806 7.203 0.4223 0.5776 0.1898
2335MeOH O2 7004 0.979 0.800 7.275 0.3588 0.3601 0.2900
2335MeOH H3 7005 0.967 0.749 7.360 -0.0399 1.3591 0.8447
2336MeOH Me1 7006 4.017 4.895 5.102 -0.2162 0.6206 0.2234
2336MeOH O2 7007 4.150 4.968 5.122 0.5114 -0.3705 -0.8100
2336MeOH H3 7008 4.148 5.052 5.067 -0.1976 0.7474 0.8453
2337MeOH Me1 7009 4.127 3.904 9.757 -0.0909 0.0959 -0.3065
2337MeOH O2 7010 4.224 3.786 9.744 -0.1813 -0.0026 -0.1033
2337MeOH H3 7011 4.204 3.720 9.817 -0.8938 -0.3514 -0.6096
2338MeOH Me1 7012 2.282 4.047 3.558 -0.2881 0.1747 0.1278
2338MeOH O2 7013 2.413 4.115 3.519 -0.2942 0.0770 -0.0672
2338MeOH H3 7014 2.408 4.211 3.546 -0.5600 0.3173 -0.9330
2339MeOH Me1 7015 0.559 2.661 0.869 0.6640 -0.1865 -0.1264
2339MeOH O2 7016 0.520 2.789 0.795 0.3504 -0.1933 0.0264
2339MeOH H3 7017 0.603 2.844 0.779 0.2078 0.0609 0.1518
2340MeOH Me1 7018 2.188 4.607 3.056 -1.0150 0.3589 0.4054
2340MeOH O2 7019 2.206 4.630 3.206 0.2524 0.0040 0.3159
2340MeOH H3 7020 2.148 4.706 3.234 1.0897 0.4664 0.8410
2341MeOH Me1 7021 4.176 1.525 9.362 0.0879 0.1043 0.1271
2341MeOH O2 7022 4.200 1.676 9.359 0.0374 0.1112 0.1478
2341MeOH H3 7023 4.169 1.711 9.270 0.1091 0.0853 0.1112
2342MeOH Me1 7024 0.911 0.998 4.998 -0.5568 0.5789 0.0088
2342MeOH O2 7025 1.012 0.988 5.113 -0.2289 0.1787 -0.3076
2342MeOH H3 7026 0.962 0.998 5.199 -0.6162 -3.9127 0.1149
2343MeOH Me1 7027 3.109 2.270 7.869 0.1047 -0.3438 0.0066
2343MeOH O2 7028 3.203 2.351 7.779 -0.1788 0.1214 0.1229
2343MeOH H3 7029 3.186 2.448 7.794 0.8644 0.0954 1.7799
2344MeOH Me1 7030 0.108 2.820 5.655 0.1446 0.0811 0.1946
2344MeOH O2 7031 0.180 2.695 5.605 -0.0283 -0.1083 0.4139
2344MeOH H3 7032 0.130 2.660 5.526 0.5471 0.4713 -0.2238
2345MeOH Me1 7033 4.407 1.776 5.768 0.0244 0.2949 -0.0968
2345MeOH O2 7034 4.411 1.631 5.817 0.5358 0.3543 0.0379
2345MeOH H3 7035 4.361 1.574 5.752 -1.6059 0.5204 1.4516
2346MeOH Me1 7036 1.835 3.003 0.706 0.2234 0.0465 0.3014
2346MeOH O2 7037 1.787 2.866 0.657 -0.1126 0.3689 -0.2810
2346MeOH H3 7038 1.787 2.866 0.557 -0.5707 0.9490 -0.2831
2347MeOH Me1 7039 1.302 2.235 7.688 0.2392 0.1246 0.4393
2347MeOH O2 7040 1.223 2.111 7.730 0.0894 -0.0829 -0.4051
2347MeOH H3 7041 1.257 2.080 7.819 -2.3691 1.4282 1.1655
2348MeOH Me1 7042 4.614 3.309 10.220 0.1633 0.0759 -0.2069
2348MeOH O2 7043 4.704 3.253 10.110 0.6146 -0.5358 0.4678
2348MeOH H3 7044 4.799 3.280 10.130 0.1532 2.9888 -1.2868
2349MeOH Me1 7045 1.749 1.766 8.930 0.1889 0.2047 0.1906
2349MeOH O2 7046 1.657 1.718 8.818 0.7256 -0.2841 -0.0502
2349MeOH H3 7047 1.712 1.695 8.738 1.0296 0.2608 0.0030
2350MeOH Me1 7048 4.095 1.699 7.591 0.5166 0.3206 0.4510
2350MeOH O2 7049 4.009 1.822 7.564 0.0792 -0.1840 -0.4913
2350MeOH H3 7050 3.958 1.844 7.647 -2.2711 -1.4622 -1.4815
2351MeOH Me1 7051 2.885 2.236 1.328 0.4263 -0.8835 0.1884
2351MeOH O2 7052 2.908 2.225 1.177 0.0789 0.6066 0.0138
2351MeOH H3 7053 2.819 2.211 1.132 -0.0106 0.9795 0.0732
2352MeOH Me1 7054 2.671 0.950 2.598 -0.2083 0.0739 0.0313
2352MeOH O2 7055 2.662 1.099 2.633 0.4099 0.0143 0.4527
2352MeOH H3 7056 2.633 1.107 2.729 1.9240 -0.1448 0.9494
2353MeOH Me1 7057 1.418 4.574 8.754 0.4609 0.3081 -0.8370
2353MeOH O2 7058 1.510 4.655 8.844 0.5155 -0.2485 -0.3934
2353MeOH H3 7059 1.456 4.694 8.918 0.7924 -1.9355 0.7713
2354MeOH Me1 7060 0.090 3.492 1.775 -0.3451 -1.0415 0.1261
2354MeOH O2 7061 0.236 3.451 1.797 0.0239 0.0098 -0.3223
2354MeOH H3 7062 0.249 3.358 1.763 1.0169 0.6864 -1.9458
2355MeOH Me1 7063 4.039 0.254 4.932 -0.4862 0.1584 0.2759
2355MeOH O2 7064 4.157 0.245 5.028 -0.3253 0.2610 0.0872
2355MeOH H3 7065 4.199 0.335 5.036 -0.1930 0.2286 -0.2283
2356MeOH Me1 7066 3.881 0.141 0.533 0.0798 0.0165 0.3681
2356MeOH O2 7067 3.815 0.218 0.419 0.2631 -0.1417 0.1538
2356MeOH H3 7068 3.755 0.156 0.369 0.8132 -0.3635 -0.2352
2357MeOH Me1 7069 0.506 4.486 1.796 -0.0568 -0.5831 -0.2898
2357MeOH O2 7070 0.416 4.496 1.673 0.2088 -0.5006 -0.4678
2357MeOH H3 7071 0.425 4.411 1.620 0.4186 -0.4075 -0.5834
2358MeOH Me1 7072 1.935 3.442 5.368 -0.1066 0.4830 -0.3270
2358MeOH O2 7073 1.967 3.591 5.352 0.2648 0.4180 -0.2133
2358MeOH H3 7074 1.943 3.637 5.437 0.7201 0.3574 -0.0494
2359MeOH Me1 7075 2.945 0.527 8.504 -0.1129 -0.1175 0.3270
2359MeOH O2 7076 3.066 0.447 8.456 -0.5235 -0.5164 -0.0635
2359MeOH H3 7077 3.061 0.355 8.494 -2.2040 -1.4766 -2.3453
2360MeOH Me1 7078 2.106 1.497 6.155 -0.0675 0.4305 -0.5360
2360MeOH O2 7079 2.197 1.533 6.038 0.2341 -0.4991 -0.5977
2360MeOH H3 7080 2.288 1.552 6.073 0.0542 0.1750 -0.4644
2361MeOH Me1 7081 2.421 2.961 2.645 0.0540 0.2825 0.3688
2361MeOH O2 7082 2.460 2.986 2.500 0.4952 0.4925 0.5307
2361MeOH H3 7083 2.399 3.055 2.462 1.0783 1.0940 0.6533
2362MeOH Me1 7084 2.649 0.021 6.145 0.3837 0.6894 0.0064
2362MeOH O2 7085 2.748 -0.004 6.259 -0.3439 -0.3284 0.4314
2362MeOH H3 7086 2.796 0.082 6.278 1.2316 -1.0560 -0.1067
2363MeOH Me1 7087 2.239 3.501 5.560 -0.2354 -0.0262 -0.0461
2363MeOH O2 7088 2.277 3.374 5.636 -0.4283 -0.1435 -0.1395
2363MeOH H3 7089 2.377 3.365 5.634 -0.4814 -0.6617 -0.7166
2364MeOH Me1 7090 3.135 1.387 9.967 0.2175 -0.2553 0.0470
2364MeOH O2 7091 3.161 1.401 10.118 0.0841 -0.4742 0.0906
2364MeOH H3 7092 3.097 1.341 10.166 0.5068 -1.0720 -0.0838
2365MeOH Me1 7093 3.121 2.916 0.337 0.1830 0.3582 -0.2063
2365MeOH O2 7094 3.008 2.938 0.237 0.2459 -0.3857 -0.4531
2365MeOH H3 7095 2.925 2.896 0.273 1.1036 -3.8492 -2.0779
2366MeOH Me1 7096 4.546 0.489 3.010 -0.3493 0.2516 0.2382
2366MeOH O2 7097 4.439 0.444 2.910 -0.1492 -0.7375 0.4591
2366MeOH H3 7098 4.380 0.377 2.955 0.0594 -0.6655 0.8480
2367MeOH Me1 7099 3.308 3.322 2.306 0.1011 -0.0878 0.3056
2367MeOH O2 7100 3.386 3.412 2.210 -0.4662 -0.1395 -0.2058
2367MeOH H3 7101 3.453 3.357 2.162 -0.0921 0.0118 0.1348
2368MeOH Me1 7102 2.295 1.301 4.443 0.4817 -0.0356 0.2255
2368MeOH O2 7103 2.359 1.382 4.330 0.2551 -0.1617 0.0060
2368MeOH H3 7104 2.311 1.361 4.244 0.6252 -0.9029 -0.0311
2369MeOH Me1 7105 4.174 2.768 2.735 0.0859 0.0538 -0.7930
2369MeOH O2 7106 4.184 2.686 2.606 -0.3582 -0.3812 -0.5563
2369MeOH H3 7107 4.098 2.696 2.555 -0.3691 -0.2046 -0.5025
2370MeOH Me1 7108 4.257 4.820 6.010 -0.4840 -1.0353 -0.1506
2370MeOH O2 7109 4.126 4.779 5.943 -0.6350 -0.4981 -0.1883
2370MeOH H3 7110 4.102 4.848 5.875 -1.1656 0.4322 0.9224
2371MeOH Me1 7111 2.687 2.022 7.957 -0.0286 0.0546 0.4012
2371MeOH O2 7112 2.687 2.170 7.998 -0.0025 0.1536 0.0652
2371MeOH H3 7113 2.653 2.177 8.092 1.1101 0.2474 0.4697
2372MeOH Me1 7114 2.794 1.124 29.485 0.1381 0.2490 -0.1706
2372MeOH O2 7115 2.849 1.185 29.614 -0.0066 0.5900 -0.2527
2372MeOH H3 7116 2.851 1.114 29.684 -1.2723 1.0610 0.2968
2373MeOH Me1 7117 0.976 1.847 9.139 -0.5137 -0.2564 -0.0272
2373MeOH O2 7118 0.976 1.695 9.116 -0.3607 -0.2751 0.0816
2373MeOH H3 7119 0.987 1.650 9.205 -1.8922 -0.2349 0.3160
2374MeOH Me1 7120 1.776 1.481 4.129 0.0760 0.1296 0.2054
2374MeOH O2 7121 1.699 1.518 4.256 -0.3020 0.2124 -0.0492
2374MeOH H3 7122 1.716 1.448 4.325 -0.0434 0.5643 0.2413
2375MeOH Me1 7123 2.663 2.590 27.506 -0.3321 -0.4751 0.4807
2375MeOH O2 7124 2.767 2.490 27.557 -0.0824 -0.4422 0.0699
2375MeOH H3 7125 2.726 2.438 27.632 0.2732 -0.3311 0.3474
2376MeOH Me1 7126 4.656 3.068 6.955 0.2498 0.2257 -0.4544
2376MeOH O2 7127 4.696 3.018 7.094 0.3217 0.7518 -0.2829
2376MeOH H3 7128 4.693 2.918 7.094 -1.1078 0.7669 0.5063
2377MeOH Me1 7129 4.707 2.490 8.916 -0.5197 -0.3350 0.7123
2377MeOH O2 7130 4.775 2.421 8.797 0.0823 0.9978 0.2605
2377MeOH H3 7131 4.793 2.489 8.727 0.0688 1.7248 0.9521
2378MeOH Me1 7132 4.994 2.286 1.206 -0.3818 0.2215 0.2912
2378MeOH O2 7133 4.872 2.258 1.118 0.0340 0.6528 -0.4306
2378MeOH H3 7134 4.895 2.280 1.023 0.5666 0.8769 -0.2496
2379MeOH Me1 7135 4.260 3.771 7.910 -0.1524 -0.1027 -0.2169
2379MeOH O2 7136 4.289 3.627 7.953 -0.5501 -0.0093 0.3642
2379MeOH H3 7137 4.207 3.590 7.997 -1.4334 -0.3502 -1.4855
2380MeOH Me1 7138 1.649 2.994 3.541 -0.1941 0.3088 0.4780
2380MeOH O2 7139 1.683 2.884 3.642 0.2622 0.2441 0.2549
2380MeOH H3 7140 1.611 2.881 3.711 0.6414 0.3017 0.6630
2381MeOH Me1 7141 2.926 2.893 7.088 -0.1090 0.0261 -0.0976
2381MeOH O2 7142 2.950 2.905 6.937 -0.8755 0.4443 -0.2063
2381MeOH H3 7143 2.863 2.892 6.890 -0.8422 -1.1920 0.1191
2382MeOH Me1 7144 3.462 0.547 6.531 -0.6654 0.2062 0.4508
2382MeOH O2 7145 3.485 0.697 6.550 0.3285 0.0374 0.6499
2382MeOH H3 7146 3.464 0.721 6.644 -1.0322 0.3238 0.2996
2383MeOH Me1 7147 2.087 4.133 2.891 -0.2444 -0.6453 -0.6686
2383MeOH O2 7148 2.237 4.160 2.887 -0.3505 0.0177 -0.3163
2383MeOH H3 7149 2.260 4.197 2.797 -0.0743 -1.3194 -0.8182
2384MeOH Me1 7150 1.535 2.717 3.221 0.5939 -0.0248 0.0814
2384MeOH O2 7151 1.657 2.720 3.129 0.2488 -0.5643 -0.4022
2384MeOH H3 7152 1.690 2.626 3.117 -0.3001 -0.7317 -0.6618
2385MeOH Me1 7153 1.431 1.466 5.199 0.4471 1.0299 -0.1715
2385MeOH O2 7154 1.462 1.415 5.340 0.0069 0.4428 -0.2837
2385MeOH H3 7155 1.548 1.455 5.370 -0.8979 1.6634 0.8083
2386MeOH Me1 7156 3.468 3.591 1.505 0.1733 0.1554 0.5919
2386MeOH O2 7157 3.596 3.520 1.461 -0.3931 -0.2734 -0.3926
2386MeOH H3 7158 3.674 3.574 1.492 0.0386 0.1450 -2.0931
2387MeOH Me1 7159 3.373 0.616 2.290 -0.0774 0.4855 -0.5961
2387MeOH O2 7160 3.386 0.496 2.195 -0.4977 -0.6180 0.7012
2387MeOH H3 7161 3.483 0.478 2.181 -0.5318 0.0962 -0.5671
2388MeOH Me1 7162 1.461 2.377 2.922 -0.5407 -0.0702 0.2191
2388MeOH O2 7163 1.444 2.243 2.994 0.5256 -0.0764 0.4713
2388MeOH H3 7164 1.401 2.260 3.083 -0.4331 -0.3381 0.0646
2389MeOH Me1 7165 1.928 0.431 3.660 -0.1193 -0.2108 -0.0804
2389MeOH O2 7166 1.850 0.316 3.723 -0.1334 -0.0630 0.1728
2389MeOH H3 7167 1.762 0.307 3.676 -0.4746 0.3567 0.7184
2390MeOH Me1 7168 3.223 3.315 4.110 -0.1217 0.3488 0.1294
2390MeOH O2 7169 3.080 3.284 4.155 -0.1775 0.4212 -0.0026
2390MeOH H3 7170 3.073 3.303 4.253 -1.0098 3.2281 -0.5051
2391MeOH Me1 7171 4.294 2.979 0.707 -0.1027 -0.7514 -0.4633
2391MeOH O2 7172 4.409 3.034 0.622 -0.1161 -0.7801 -0.4996
2391MeOH H3 7173 4.373 3.057 0.531 0.0274 -1.5388 -0.7576
2392MeOH Me1 7174 1.792 1.415 4.541 0.0141 -0.1599 0.3893
2392MeOH O2 7175 1.763 1.325 4.421 -0.4029 0.3837 0.0796
2392MeOH H3 7176 1.805 1.235 4.437 1.1984 0.8282 -1.2303
2393MeOH Me1 7177 1.856 2.354 6.159 -0.2110 0.1463 -0.0335
2393MeOH O2 7178 1.897 2.211 6.123 0.6169 0.2131 0.6156
2393MeOH H3 7179 1.820 2.167 6.076 0.8511 -0.4615 0.8550
2394MeOH Me1 7180 0.169 3.827 5.572 0.1660 0.4597 0.3038
2394MeOH O2 7181 0.025 3.860 5.613 -0.2215 -0.2273 -0.4744
2394MeOH H3 7182 0.005 3.954 5.584 -0.1920 0.0047 0.2452
2395MeOH Me1 7183 4.069 4.078 7.331 -0.1245 -0.3787 0.0314
2395MeOH O2 7184 3.958 3.983 7.289 -0.1133 -0.1990 -0.4113
2395MeOH H3 7185 3.883 3.990 7.355 0.0892 -0.8700 -0.1061
2396MeOH Me1 7186 1.284 1.932 1.985 -0.7108 0.3282 -0.9982
2396MeOH O2 7187 1.346 1.870 1.859 0.5702 -0.5745 0.0442
2396MeOH H3 7188 1.311 1.777 1.849 -1.1663 0.1178 -0.8499
2397MeOH Me1 7189 5.077 3.826 6.271 -0.0429 -0.5401 -0.3369
2397MeOH O2 7190 4.971 3.760 6.359 -0.4276 -0.1453 -0.4985
2397MeOH H3 7191 4.965 3.811 6.445 0.3025 -0.6592 -0.1229
2398MeOH Me1 7192 4.197 0.492 8.870 -0.0942 0.7816 -0.3894
2398MeOH O2 7193 4.148 0.387 8.770 -0.4836 0.3714 0.2293
2398MeOH H3 7194 4.049 0.397 8.760 -0.9604 -1.2840 2.4423
2399MeOH Me1 7195 3.750 1.229 9.722 0.4299 0.2303 -0.3558
2399MeOH O2 7196 3.793 1.092 9.670 -0.0356 0.0300 -0.2167
2399MeOH H3 7197 3.745 1.074 9.584 2.6213 1.7179 -2.2047
2400MeOH Me1 7198 1.095 3.245 3.111 -0.8006 0.5007 0.1413
2400MeOH O2 7199 1.068 3.209 2.965 0.4605 0.4003 -0.0804
2400MeOH H3 7200 1.144 3.153 2.931 0.5914 0.0922 0.7110
2401MeOH Me1 7201 1.006 2.363 10.284 0.3830 0.3514 -0.4038
2401MeOH O2 7202 0.989 2.502 10.346 0.1483 0.3661 -0.4956
2401MeOH H3 7203 0.946 2.492 10.435 -2.3688 0.5734 -1.6173
2402MeOH Me1 7204 4.262 0.438 5.940 0.1134 0.2756 0.0321
2402MeOH O2 7205 4.367 0.338 5.891 -0.4531 -0.6028 0.5828
2402MeOH H3 7206 4.356 0.325 5.793 -0.3010 -0.8152 0.5923
2403MeOH Me1 7207 0.482 4.613 3.717 -0.0690 -0.2959 0.0911
2403MeOH O2 7208 0.427 4.516 3.612 0.6104 -0.1126 -0.4539
2403MeOH H3 7209 0.477 4.530 3.526 -0.7940 2.1409 -0.9923
2404MeOH Me1 7210 1.388 0.000 0.885 -0.4563 -0.4289 0.4454
2404MeOH O2 7211 1.476 0.105 0.817 -0.6390 -0.2026 0.5543
2404MeOH H3 7212 1.568 0.066 0.804 -1.1146 -0.8228 -1.3812
2405MeOH Me1 7213 1.768 1.666 29.603 -0.1717 -0.5187 0.3589
2405MeOH O2 7214 1.750 1.775 29.498 -0.4137 -0.5707 0.3472
2405MeOH H3 7215 1.824 1.842 29.508 0.0907 -1.0004 -0.3875
2406MeOH Me1 7216 2.230 1.364 0.685 0.5720 -0.3181 0.2356
2406MeOH O2 7217 2.135 1.368 0.565 0.4585 0.1301 0.3398
2406MeOH H3 7218 2.041 1.371 0.599 0.3891 -2.1210 0.4820
2407MeOH Me1 7219 4.294 0.937 0.577 -0.6683 -0.0509 -0.0772
2407MeOH O2 7220 4.260 0.789 0.594 0.2785 -0.3331 -0.5786
2407MeOH H3 7221 4.327 0.747 0.655 -1.5488 0.7505 2.3600
2408MeOH Me1 7222 3.540 4.935 8.579 0.1601 -0.0717 -0.3865
2408MeOH O2 7223 3.646 5.006 8.663 0.0702 0.1737 -0.4804
2408MeOH H3 7224 3.643 4.968 8.756 0.9102 -0.5366 -0.7329
2409MeOH Me1 7225 3.054 0.446 9.022 0.1404 -0.0726 0.2195
2409MeOH O2 7226 3.136 0.417 8.897 0.5577 -0.1686 0.5106
2409MeOH H3 7227 3.226 0.384 8.924 0.2047 -0.8777 0.8352
2410MeOH Me1 7228 4.028 2.864 3.135 0.3024 -0.0393 -0.6847
2410MeOH O2 7229 4.060 2.723 3.082 -0.0257 -0.2361 -0.3613
2410MeOH H3 7230 4.068 2.661 3.160 -0.9528 -0.2424 -0.2557
2411MeOH Me1 7231 1.436 1.901 2.841 -0.6923 0.2243 -0.0495
2411MeOH O2 7232 1.477 2.039 2.791 -0.0154 0.0238 -0.0483
2411MeOH H3 7233 1.475 2.103 2.868 0.7548 -0.0713 0.0623
2412MeOH Me1 7234 2.572 2.487 4.847 0.3845 -0.1948 0.2506
2412MeOH O2 7235 2.445 2.403 4.855 0.0240 0.3045 -0.1104
2412MeOH H3 7236 2.469 2.307 4.838 -0.2314 0.1497 0.3607
2413MeOH Me1 7237 3.843 1.023 5.602 0.0809 -0.5205 0.0054
2413MeOH O2 7238 3.912 1.159 5.616 -0.3818 -0.2352 -0.4653
2413MeOH H3 7239 3.990 1.161 5.553 -1.4944 0.5279 -1.8540
2414MeOH Me1 7240 1.676 2.882 8.571 0.3190 -0.1352 -0.4109
2414MeOH O2 7241 1.797 2.843 8.656 0.0806 0.0201 0.0057
2414MeOH H3 7242 1.851 2.775 8.606 -0.1602 -0.6109 0.5885
2415MeOH Me1 7243 4.465 0.856 6.938 0.7368 0.8068 -0.0079
2415MeOH O2 7244 4.446 0.993 7.003 -0.0032 0.2794 0.9148
2415MeOH H3 7245 4.385 1.048 6.946 -2.0351 -0.3648 2.3647
2416MeOH Me1 7246 2.397 3.513 6.274 0.2438 0.5150 -0.1600
2416MeOH O2 7247 2.285 3.434 6.343 0.0535 0.7660 -0.1738
2416MeOH H3 7248 2.225 3.396 6.273 1.4493 -1.2991 -0.3296
2417MeOH Me1 7249 3.827 2.710 1.632 0.3089 -0.7135 0.4099
2417MeOH O2 7250 3.721 2.672 1.529 0.4433 -0.2433 0.0997
2417MeOH H3 7251 3.767 2.629 1.451 0.3546 -1.7069 0.8316
2418MeOH Me1 7252 3.257 1.403 3.809 0.6283 0.2864 -0.1947
2418MeOH O2 7253 3.105 1.397 3.827 0.6223 -0.4928 -0.4378
2418MeOH H3 7254 3.065 1.476 3.779 0.3730 -0.1994 0.2382
2419MeOH Me1 7255 0.441 4.889 2.989 -0.5547 0.0024 0.2532
2419MeOH O2 7256 0.387 4.783 2.894 0.4457 0.1091 -0.4525
2419MeOH H3 7257 0.349 4.707 2.948 2.3673 -1.2790 -0.9455
2420MeOH Me1 7258 0.192 5.064 1.334 -0.4667 -0.4298 -0.0734
2420MeOH O2 7259 0.265 4.959 1.249 0.4196 -0.1543 0.3342
2420MeOH H3 7260 0.330 5.006 1.190 0.9602 0.0460 1.0769
2421MeOH Me1 7261 3.745 3.740 2.068 0.1325 0.7266 0.4906
2421MeOH O2 7262 3.616 3.812 2.026 -0.0922 -0.1801 -0.4219
2421MeOH H3 7263 3.540 3.771 2.076 -0.0381 -0.1337 -0.3000
2422MeOH Me1 7264 0.046 1.420 10.073 0.1964 -0.3175 0.0888
2422MeOH O2 7265 0.060 1.564 10.025 0.0880 -0.3813 -0.1361
2422MeOH H3 7266 0.102 1.563 9.934 0.1603 -0.4874 -0.1023
2423MeOH Me1 7267 1.488 2.541 5.897 -0.4122 -0.1751 -0.8130
2423MeOH O2 7268 1.629 2.533 5.837 -0.1022 0.2639 -0.1466
2423MeOH H3 7269 1.665 2.441 5.853 -0.0856 0.2246 -0.4052
2424MeOH Me1 7270 1.745 4.885 3.866 0.2620 -0.0063 -0.4359
2424MeOH O2 7271 1.860 4.783 3.865 0.0246 -0.2773 -0.1207
2424MeOH H3 7272 1.820 4.691 3.862 -0.1837 -0.1785 -0.4444
2425MeOH Me1 7273 4.624 0.219 0.549 -0.5632 0.4444 0.0007
2425MeOH O2 7274 4.722 0.276 0.651 -0.5598 0.2702 0.0947
2425MeOH H3 7275 4.753 0.366 0.619 0.7159 -0.3831 -0.5916
2426MeOH Me1 7276 2.241 3.817 7.030 -0.4257 0.3148 -0.2455
2426MeOH O2 7277 2.278 3.966 7.033 0.8219 0.0075 0.4641
2426MeOH H3 7278 2.275 4.001 6.939 -2.1893 1.2302 0.8877
2427MeOH Me1 7279 1.320 1.553 7.445 -0.2767 0.2062 0.1528
2427MeOH O2 7280 1.390 1.637 7.552 0.3303 -0.0038 -0.0770
2427MeOH H3 7281 1.486 1.648 7.526 0.1524 0.1713 -0.6771
2428MeOH Me1 7282 2.533 4.077 6.398 -0.0210 0.4434 0.3201
2428MeOH O2 7283 2.661 4.061 6.481 0.1398 0.4668 0.0769
2428MeOH H3 7284 2.730 4.124 6.446 -0.3371 1.3701 0.7333
2429MeOH Me1 7285 4.730 3.810 8.429 0.3343 -0.3949 0.0550
2429MeOH O2 7286 4.590 3.870 8.443 0.6962 0.7145 -1.0366
2429MeOH H3 7287 4.585 3.918 8.531 0.4741 1.0051 -1.2064
2430MeOH Me1 7288 3.788 4.829 4.293 0.0460 0.7242 0.0262
2430MeOH O2 7289 3.746 4.976 4.288 -0.4602 0.5837 0.0564
2430MeOH H3 7290 3.828 5.033 4.301 -0.7714 0.8576 0.9491
2431MeOH Me1 7291 2.098 0.166 0.829 0.0067 0.4298 -0.2430
2431MeOH O2 7292 1.966 0.131 0.760 0.2053 0.3234 -0.6028
2431MeOH H3 7293 1.960 0.183 0.675 0.6919 -0.1656 -0.9380
2432MeOH Me1 7294 4.273 0.628 4.758 0.4729 -0.1270 0.0216
2432MeOH O2 7295 4.322 0.691 4.889 0.3176 0.1792 -0.0681
2432MeOH H3 7296 4.416 0.723 4.875 0.7298 -0.8493 0.3008
2433MeOH Me1 7297 3.925 3.231 8.386 -0.8193 0.1189 -0.8814
2433MeOH O2 7298 4.057 3.159 8.357 -0.7469 -0.1114 -0.0057
2433MeOH H3 7299 4.131 3.226 8.359 -0.5872 -0.2969 0.8303
2434MeOH Me1 7300 4.836 4.048 3.360 -0.6387 0.8434 -0.7453
2434MeOH O2 7301 4.942 4.039 3.250 -0.8549 -0.3753 -0.8627
2434MeOH H3 7302 5.018 4.099 3.274 0.1927 -1.7407 -0.6053
2435MeOH Me1 7303 4.610 4.709 3.068 0.6201 0.1220 -0.2511
2435MeOH O2 7304 4.720 4.712 3.175 0.3920 -0.0522 -0.0087
2435MeOH H3 7305 4.715 4.627 3.228 -1.7420 1.1548 1.9199
2436MeOH Me1 7306 2.702 2.719 9.159 -0.1234 -0.0304 0.1082
2436MeOH O2 7307 2.738 2.814 9.043 0.1724 -0.3206 -0.0380
2436MeOH H3 7308 2.834 2.839 9.052 0.1112 -0.1784 0.2325
2437MeOH Me1 7309 2.275 0.635 8.330 -0.0581 0.3266 -0.0072
2437MeOH O2 7310 2.264 0.661 8.481 0.2961 0.2950 0.0249
2437MeOH H3 7311 2.187 0.723 8.497 -0.9562 -1.2701 0.3897
2438MeOH Me1 7312 0.883 2.954 7.306 -0.2186 -0.1206 0.2391
2438MeOH O2 7313 0.946 2.902 7.177 -0.3494 0.0125 0.1217
2438MeOH H3 7314 0.888 2.828 7.141 1.3290 -2.3359 1.9438
2439MeOH Me1 7315 3.192 2.048 29.780 -0.3762 0.4027 -0.6661
2439MeOH O2 7316 3.175 2.137 29.903 0.1385 0.2204 -0.4607
2439MeOH H3 7317 3.090 2.189 29.894 0.5622 0.9293 -0.4657
2440MeOH Me1 7318 3.229 2.370 29.510 0.2072 -0.5095 -0.2809
2440MeOH O2 7319 3.087 2.322 29.478 0.0322 -0.5077 0.4750
2440MeOH H3 7320 3.062 2.357 29.387 -0.2626 -0.9205 0.3975
2441MeOH Me1 7321 3.682 4.016 7.588 0.1941 -0.7584 0.2782
2441MeOH O2 7322 3.738 4.040 7.447 -0.0727 0.1626 0.3238
2441MeOH H3 7323 3.663 4.068 7.388 -0.4288 -0.7008 0.3509
2442MeOH Me1 7324 3.856 2.998 10.431 0.1049 -0.2645 0.1651
2442MeOH O2 7325 3.964 2.890 10.446 -0.0667 -0.4816 -0.1551
2442MeOH H3 7326 4.040 2.929 10.498 0.0471 -0.7217 -0.1444
2443MeOH Me1 7327 2.257 4.521 6.684 0.6399 0.1859 0.3435
2443MeOH O2 7328 2.311 4.663 6.666 0.1497 0.3444 0.1016
2443MeOH H3 7329 2.297 4.713 6.752 2.3927 -0.3781 0.9430
2444MeOH Me1 7330 2.243 1.803 3.079 0.1530 -0.3436 0.5684
2444MeOH O2 7331 2.371 1.846 3.152 0.2758 -0.0771 0.1948
2444MeOH H3 7332 2.444 1.853 3.085 0.0707 0.0608 -0.0200
2445MeOH Me1 7333 1.316 4.522 7.679 0.0476 -0.6383 0.2933
2445MeOH O2 7334 1.393 4.514 7.548 0.1539 -0.7198 0.3613
2445MeOH H3 7335 1.359 4.436 7.496 -0.4953 -0.1676 -0.0608
2446MeOH Me1 7336 2.132 4.427 5.482 0.1848 -0.1229 0.3542
2446MeOH O2 7337 2.233 4.418 5.596 -0.1964 0.1492 0.7167
2446MeOH H3 7338 2.296 4.343 5.577 0.8524 1.1049 0.3147
2447MeOH Me1 7339 0.814 2.537 3.538 0.3047 0.0225 -0.0589
2447MeOH O2 7340 0.814 2.668 3.458 0.1056 0.0525 -0.0101
2447MeOH H3 7341 0.872 2.734 3.506 0.5311 -0.0867 -0.3274
2448MeOH Me1 7342 0.167 0.475 5.117 0.0027 -0.3424 -0.0976
2448MeOH O2 7343 0.284 0.380 5.091 0.1389 -0.2118 0.1251
2448MeOH H3 7344 0.299 0.373 4.992 0.9246 0.5098 0.1783
2449MeOH Me1 7345 3.564 3.820 4.911 0.2557 0.3535 -0.8526
2449MeOH O2 7346 3.619 3.902 5.028 -0.5620 -0.0568 -0.1677
2449MeOH H3 7347 3.717 3.915 5.015 -0.6847 1.0873 -0.1112
2450MeOH Me1 7348 0.306 1.140 7.093 0.3211 0.2072 0.6066
2450MeOH O2 7349 0.261 1.282 7.130 -0.0142 0.2053 0.2209
2450MeOH H3 7350 0.188 1.309 7.069 -0.7104 -0.4864 0.7264
2451MeOH Me1 7351 2.555 4.601 9.132 0.3609 -0.1629 -0.1769
2451MeOH O2 7352 2.603 4.469 9.194 0.0920 -0.4346 -0.5414
2451MeOH H3 7353 2.696 4.451 9.163 -0.2148 -0.9232 -1.1864
2452MeOH Me1 7354 1.986 3.487 4.749 0.1289 0.1423 0.0844
2452MeOH O2 7355 2.040 3.603 4.664 -0.3571 0.2848 -0.0308
2452MeOH H3 7356 1.967 3.634 4.604 -1.1078 1.2289 1.3273
2453MeOH Me1 7357 1.242 4.145 7.281 0.2889 -0.0531 0.1108
2453MeOH O2 7358 1.307 4.260 7.359 0.4834 -0.1470 0.0887
2453MeOH H3 7359 1.356 4.221 7.438 0.3037 -0.2033 0.1729
2454MeOH Me1 7360 1.743 2.886 4.952 0.1482 0.1757 0.2274
2454MeOH O2 7361 1.610 2.958 4.978 0.4182 0.7514 0.0423
2454MeOH H3 7362 1.536 2.902 4.941 -0.0180 -0.2770 2.2886
2455MeOH Me1 7363 4.511 0.488 3.736 0.0826 -0.0921 -0.0679
2455MeOH O2 7364 4.465 0.548 3.869 -0.1339 -0.0903 -0.1425
2455MeOH H3 7365 4.388 0.494 3.904 -0.4132 0.1186 -0.4362
2456MeOH Me1 7366 2.022 3.770 1.014 -0.6065 0.3964 0.0942
2456MeOH O2 7367 2.084 3.714 1.142 -0.8055 -0.5765 -0.2244
2456MeOH H3 7368 2.020 3.727 1.217 -0.0949 0.7617 0.1768
2457MeOH Me1 7369 0.833 4.680 5.415 -0.1216 0.1824 0.4113
2457MeOH O2 7370 0.711 4.674 5.507 0.0372 -0.1173 0.6038
2457MeOH H3 7371 0.667 4.764 5.508 -0.0436 -0.1566 0.8628
2458MeOH Me1 7372 1.618 1.025 6.477 0.6256 0.2949 0.1386
2458MeOH O2 7373 1.649 1.053 6.330 0.6894 0.2060 0.1350
2458MeOH H3 7374 1.562 1.067 6.282 0.7019 0.0132 0.0553
2459MeOH Me1 7375 4.766 1.280 5.576 0.2519 -0.1058 -0.2429
2459MeOH O2 7376 4.753 1.194 5.451 -0.5711 -0.2452 -0.0704
2459MeOH H3 7377 4.683 1.233 5.392 -0.8834 -0.2489 0.2931
2460MeOH Me1 7378 0.378 0.402 0.782 0.0082 0.3379 -0.2518
2460MeOH O2 7379 0.398 0.430 0.931 0.1894 -0.1384 -0.1841
2460MeOH H3 7380 0.482 0.483 0.943 0.0286 0.1123 -0.1508
2461MeOH Me1 7381 1.659 4.099 5.902 -0.0024 0.1710 0.0042
2461MeOH O2 7382 1.615 4.196 6.012 -0.2045 -0.0442 0.1142
2461MeOH H3 7383 1.561 4.269 5.971 -2.0316 -1.1386 0.4459
2462MeOH Me1 7384 2.345 4.379 4.037 0.3055 -0.6789 0.1299
2462MeOH O2 7385 2.449 4.384 3.924 0.3903 0.1821 0.2414
2462MeOH H3 7386 2.504 4.467 3.936 0.1830 0.2549 0.7340
2463MeOH Me1 7387 2.952 2.990 29.105 -0.5684 0.0195 -0.6843
2463MeOH O2 7388 2.872 2.944 29.227 -0.2083 0.1946 -0.3774
2463MeOH H3 7389 2.822 3.023 29.264 -1.5972 -0.1162 -1.4905
2464MeOH Me1 7390 4.118 4.099 8.581 -0.0587 -0.1197 -0.0167
2464MeOH O2 7391 4.045 4.154 8.458 0.1530 0.2692 0.0292
2464MeOH H3 7392 4.067 4.251 8.449 -0.4508 0.4913 0.8268
2465MeOH Me1 7393 2.433 3.587 7.989 0.5493 -0.9472 -0.6925
2465MeOH O2 7394 2.367 3.497 8.093 -0.2928 0.0704 -0.3250
2465MeOH H3 7395 2.392 3.402 8.074 -1.8828 -0.3568 -0.4840
2466MeOH Me1 7396 3.664 1.595 5.061 -0.2945 0.1053 -0.4010
2466MeOH O2 7397 3.547 1.689 5.029 -0.2295 0.3116 -0.0343
2466MeOH H3 7398 3.470 1.665 5.088 -0.2428 0.1408 -0.1209
2467MeOH Me1 7399 1.851 3.699 3.944 0.3079 -0.3710 -0.2743
2467MeOH O2 7400 1.999 3.733 3.955 0.0095 0.7285 0.4765
2467MeOH H3 7401 2.045 3.662 4.009 0.4455 0.5081 -0.1721
2468MeOH Me1 7402 -0.014 3.906 2.463 -0.2393 0.0695 0.0321
2468MeOH O2 7403 0.096 3.831 2.539 -0.3749 0.4124 0.5678
2468MeOH H3 7404 0.170 3.812 2.476 -0.4712 -0.3071 0.6690
2469MeOH Me1 7405 2.800 2.362 8.579 -0.4303 -0.2393 -0.4812
2469MeOH O2 7406 2.912 2.292 8.503 -0.2012 -0.4666 0.0594
2469MeOH H3 7407 2.999 2.331 8.532 -0.3124 -0.1144 -0.0740
2470MeOH Me1 7408 3.939 0.640 9.905 0.4411 0.1050 0.0185
2470MeOH O2 7409 4.062 0.653 9.815 0.4294 -0.3435 -0.0622
2470MeOH H3 7410 4.050 0.732 9.755 -0.1596 -1.3851 -1.3713
2471MeOH Me1 7411 0.815 1.460 5.501 -0.1244 0.5014 -0.4565
2471MeOH O2 7412 0.759 1.339 5.578 0.1347 0.0643 -0.9519
2471MeOH H3 7413 0.694 1.372 5.646 -1.1251 -0.4733 -1.8612
2472MeOH Me1 7414 3.940 4.806 8.104 -0.3363 0.0327 -0.6305
2472MeOH O2 7415 4.077 4.821 8.171 -0.5974 -0.2975 -0.0190
2472MeOH H3 7416 4.148 4.811 8.101 -0.3130 -0.2698 0.2619
2473MeOH Me1 7417 4.282 2.243 6.856 0.2500 -0.4602 0.4089
2473MeOH O2 7418 4.372 2.362 6.825 -0.2559 -0.2981 -0.4513
2473MeOH H3 7419 4.327 2.419 6.756 -0.6257 -0.8316 -0.6543
2474MeOH Me1 7420 2.107 1.391 9.668 -0.3223 0.1567 0.6845
2474MeOH O2 7421 1.992 1.329 9.588 0.0298 0.2964 0.0658
2474MeOH H3 7422 1.971 1.389 9.511 0.9440 0.0110 -0.4256
2475MeOH Me1 7423 3.094 4.388 5.358 -0.2251 -0.2739 0.5038
2475MeOH O2 7424 3.224 4.311 5.380 -0.0956 -0.1849 0.0568
2475MeOH H3 7425 3.203 4.228 5.432 0.5024 1.1312 2.5672
2476MeOH Me1 7426 3.909 1.392 10.138 0.1342 0.1381 0.4298
2476MeOH O2 7427 3.902 1.505 10.241 -0.0543 -0.2374 0.8353
2476MeOH H3 7428 3.964 1.484 10.316 1.3843 0.4540 -0.1155
2477MeOH Me1 7429 1.926 0.856 5.590 0.2720 -0.0603 -0.5988
2477MeOH O2 7430 1.990 0.771 5.481 0.2008 -0.2589 -0.4861
2477MeOH H3 7431 1.923 0.755 5.409 0.3829 0.2526 -0.7772
2478MeOH Me1 7432 1.691 0.857 2.025 -0.3570 -0.2300 0.8249
2478MeOH O2 7433 1.541 0.845 2.052 -0.5053 0.4103 0.3077
2478MeOH H3 7434 1.508 0.932 2.089 -0.6743 1.2654 -1.6860
2479MeOH Me1 7435 4.670 0.943 5.663 -0.2516 0.7994 0.2426
2479MeOH O2 7436 4.600 0.810 5.690 0.3434 0.2384 -0.8783
2479MeOH H3 7437 4.654 0.759 5.756 -0.3013 0.6981 0.0346
2480MeOH Me1 7438 0.766 0.873 2.094 0.1813 0.3661 0.4747
2480MeOH O2 7439 0.867 0.913 1.986 0.3641 0.2378 0.5978
2480MeOH H3 7440 0.818 0.924 1.899 0.5244 0.0535 0.4844
2481MeOH Me1 7441 2.042 1.282 2.454 -0.3527 0.1505 -0.1839
2481MeOH O2 7442 2.115 1.387 2.370 -0.0916 0.2049 0.1101
2481MeOH H3 7443 2.092 1.373 2.274 0.9325 -0.3207 -0.0758
2482MeOH Me1 7444 2.212 2.708 7.384 -0.6248 0.4984 -0.1826
2482MeOH O2 7445 2.159 2.717 7.527 -0.2113 0.0158 0.0024
2482MeOH H3 7446 2.225 2.769 7.582 -0.0844 -0.1145 -0.0251
2483MeOH Me1 7447 4.669 1.535 1.487 -0.0376 -0.4392 0.1007
2483MeOH O2 7448 4.811 1.490 1.520 0.4134 0.7330 -0.1696
2483MeOH H3 7449 4.861 1.567 1.558 -1.3227 0.2906 3.4109
2484MeOH Me1 7450 0.148 0.276 8.219 -0.3497 0.1199 -0.0446
2484MeOH O2 7451 0.083 0.186 8.113 0.4939 0.1290 -0.5811
2484MeOH H3 7452 0.153 0.161 8.046 0.9693 0.3735 -0.1888
2485MeOH Me1 7453 0.516 2.459 2.293 0.4242 -0.3874 0.3819
2485MeOH O2 7454 0.406 2.362 2.337 -0.1448 -0.1545 -0.4942
2485MeOH H3 7455 0.326 2.414 2.365 0.5280 0.1515 0.9723
2486MeOH Me1 7456 0.632 0.450 5.168 0.0074 -0.1976 0.1768
2486MeOH O2 7457 0.555 0.318 5.173 -0.0789 -0.2001 -0.9008
2486MeOH H3 7458 0.459 0.336 5.156 -0.4925 0.3855 1.6187
2487MeOH Me1 7459 1.567 4.296 5.201 -0.1958 0.2447 0.0492
2487MeOH O2 7460 1.513 4.394 5.096 0.1445 0.3412 -0.0250
2487MeOH H3 7461 1.461 4.465 5.142 1.3827 1.2564 0.0288
2488MeOH Me1 7462 4.362 0.337 4.285 -0.6580 0.0376 0.1962
2488MeOH O2 7463 4.394 0.465 4.362 0.3733 -0.0434 -0.0838
2488MeOH H3 7464 4.308 0.505 4.394 0.8225 -0.3951 1.6305
2489MeOH Me1 7465 4.863 1.837 8.397 -0.9575 0.4104 -0.4921
2489MeOH O2 7466 4.915 1.960 8.472 -0.5317 0.2110 -0.4575
2489MeOH H3 7467 4.975 2.011 8.411 0.1620 -0.3204 -0.2294
2490MeOH Me1 7468 0.997 -0.044 2.378 0.0377 0.3368 0.2816
2490MeOH O2 7469 1.122 0.043 2.366 0.5303 -0.3942 -0.0099
2490MeOH H3 7470 1.170 0.019 2.282 -1.0756 0.9591 -1.3922
2491MeOH Me1 7471 3.303 1.954 6.571 -0.2971 -0.4663 0.1156
2491MeOH O2 7472 3.391 1.830 6.585 0.2254 -0.0672 0.3925
2491MeOH H3 7473 3.402 1.810 6.682 1.7702 1.2282 0.5273
2492MeOH Me1 7474 2.840 1.403 6.151 0.0079 0.0929 0.0865
2492MeOH O2 7475 2.860 1.299 6.262 0.1257 0.1316 0.1001
2492MeOH H3 7476 2.952 1.309 6.299 0.6140 -0.6689 -0.8308
2493MeOH Me1 7477 3.900 3.820 2.766 0.0748 -0.0797 0.0369
2493MeOH O2 7478 3.885 3.744 2.633 0.0120 -0.0699 0.0401
2493MeOH H3 7479 3.964 3.765 2.576 0.1876 -0.3728 0.1702
2494MeOH Me1 7480 5.017 4.765 2.651 0.3202 -0.0584 0.4334
2494MeOH O2 7481 4.881 4.791 2.715 0.2226 -0.3075 0.3333
2494MeOH H3 7482 4.895 4.811 2.812 0.0410 -1.0904 0.5291
2495MeOH Me1 7483 5.016 4.581 10.219 -0.4132 0.0492 -0.3281
2495MeOH O2 7484 4.865 4.591 10.237 -0.3829 -0.3571 0.1418
2495MeOH H3 7485 4.844 4.679 10.280 -0.5373 -0.0463 -0.5626
2496MeOH Me1 7486 0.412 3.495 3.491 0.2741 -0.4213 0.1953
2496MeOH O2 7487 0.503 3.398 3.415 0.3875 -0.2870 0.1580
2496MeOH H3 7488 0.519 3.318 3.473 1.1516 0.0783 0.4566
2497MeOH Me1 7489 0.554 1.040 4.636 -0.3280 0.1277 -0.1645
2497MeOH O2 7490 0.502 1.051 4.492 -0.0606 -0.7183 -0.3335
2497MeOH H3 7491 0.567 1.105 4.439 -0.1166 -0.7691 -0.4545
2498MeOH Me1 7492 0.421 4.782 7.920 -0.3299 -0.4484 0.3681
2498MeOH O2 7493 0.352 4.825 7.790 0.5193 -0.2023 -0.0141
2498MeOH H3 7494 0.387 4.769 7.715 -1.1674 -2.2154 0.6027
2499MeOH Me1 7495 4.150 1.138 6.988 0.2476 -0.0958 -0.0545
2499MeOH O2 7496 4.244 1.140 6.867 -0.0950 0.1075 -0.3211
2499MeOH H3 7497 4.194 1.179 6.789 -1.2336 -2.3013 -0.8935
2500MeOH Me1 7498 2.379 1.249 1.045 0.0442 -0.1922 -0.0949
2500MeOH O2 7499 2.379 1.376 1.131 -0.6489 -0.1577 -0.1359
2500MeOH H3 7500 2.419 1.354 1.220 0.9865 0.4457 -0.6872
2501MeOH Me1 7501 1.407 1.084 9.089 -0.4249 -0.3218 -0.5745
2501MeOH O2 7502 1.518 1.059 9.190 -0.4990 0.1652 -0.3686
2501MeOH H3 7503 1.521 0.961 9.210 1.3724 -0.1717 -2.0792
2502MeOH Me1 7504 4.004 2.716 4.777 0.3889 -0.3016 -0.3742
2502MeOH O2 7505 4.104 2.665 4.673 0.6525 -0.6970 0.0682
2502MeOH H3 7506 4.136 2.575 4.701 0.1526 -0.8349 0.1989
2503MeOH Me1 7507 0.284 2.287 4.444 -0.0675 -0.2399 0.1591
2503MeOH O2 7508 0.157 2.347 4.383 -0.0338 -0.4040 -0.0707
2503MeOH H3 7509 0.081 2.284 4.399 -0.2730 0.1512 1.0357
2504MeOH Me1 7510 4.182 1.986 2.841 -0.2551 -0.4787 -0.0215
2504MeOH O2 7511 4.087 2.086 2.773 -0.3238 -0.2105 0.4663
2504MeOH H3 7512 4.114 2.095 2.678 -0.7271 -0.2345 0.3448
2505MeOH Me1 7513 2.181 2.470 2.077 0.5839 0.1286 -0.5322
2505MeOH O2 7514 2.153 2.604 2.146 0.1947 -0.1382 -0.1702
2505MeOH H3 7515 2.236 2.659 2.144 -0.0037 0.1652 -0.1440
2506MeOH Me1 7516 1.489 1.623 0.975 -0.2064 0.4633 -0.1186
2506MeOH O2 7517 1.356 1.572 0.920 0.2512 -0.5794 -0.2689
2506MeOH H3 7518 1.286 1.641 0.936 0.4574 0.6800 -3.8335
2507MeOH Me1 7519 4.433 4.055 10.358 0.1909 0.4272 0.1786
2507MeOH O2 7520 4.559 3.993 10.296 0.2908 0.6670 0.1438
2507MeOH H3 7521 4.540 3.897 10.275 0.2996 0.7712 -0.3601
2508MeOH Me1 7522 4.747 4.587 10.627 0.2122 0.4412 0.0326
2508MeOH O2 7523 4.867 4.509 10.682 0.1500 0.4711 0.2555
2508MeOH H3 7524 4.856 4.413 10.658 0.7041 0.6186 -0.6262
2509MeOH Me1 7525 3.110 3.644 7.589 -0.6757 -0.3329 -0.2120
2509MeOH O2 7526 3.020 3.602 7.705 0.0743 -0.1605 0.4378
2509MeOH H3 7527 3.025 3.502 7.714 -0.6826 -0.2521 -0.1254
2510MeOH Me1 7528 0.677 4.858 6.681 0.1613 -0.3937 0.3760
2510MeOH O2 7529 0.713 4.965 6.785 -0.1447 0.0859 -0.0072
2510MeOH H3 7530 0.793 5.014 6.753 -1.1170 1.1709 -0.8780
2511MeOH Me1 7531 2.352 2.249 8.234 0.5203 -0.2444 0.1324
2511MeOH O2 7532 2.492 2.276 8.290 0.1455 0.2952 0.8277
2511MeOH H3 7533 2.527 2.192 8.331 1.3440 -0.3656 -1.4051
2512MeOH Me1 7534 4.629 0.428 4.833 -0.1529 -0.0987 -0.3229
2512MeOH O2 7535 4.756 0.355 4.876 -0.0984 0.1601 -0.0427
2512MeOH H3 7536 4.765 0.362 4.976 0.8323 2.0244 -0.2275
2513MeOH Me1 7537 3.680 1.055 4.451 0.2799 -0.1136 0.1466
2513MeOH O2 7538 3.642 0.916 4.401 -0.5218 0.0664 0.2526
2513MeOH H3 7539 3.542 0.906 4.408 -0.6104 0.7373 0.0120
2514MeOH Me1 7540 1.513 3.296 4.934 -0.1904 -0.7969 -0.1963
2514MeOH O2 7541 1.453 3.401 4.840 0.3943 0.1293 0.4452
2514MeOH H3 7542 1.358 3.376 4.821 0.1425 0.9720 0.5656
2515MeOH Me1 7543 2.988 1.061 5.252 -0.0254 -0.1509 0.6641
2515MeOH O2 7544 3.134 1.067 5.298 0.1763 -0.2250 0.0495
2515MeOH H3 7545 3.190 1.097 5.222 -0.0902 -0.4717 -0.2460
2516MeOH Me1 7546 3.903 3.188 0.546 0.2729 -0.1225 -0.7621
2516MeOH O2 7547 3.781 3.234 0.465 -0.4420 -0.3153 0.1932
2516MeOH H3 7548 3.775 3.334 0.472 -1.8303 -0.4655 2.0376
2517MeOH Me1 7549 3.665 4.583 2.603 0.5394 0.0849 0.1707
2517MeOH O2 7550 3.669 4.543 2.750 0.2045 -0.3287 0.0692
2517MeOH H3 7551 3.708 4.451 2.757 0.5215 -0.2069 -0.0722
2518MeOH Me1 7552 1.483 4.285 3.482 -0.4688 0.5912 -0.5908
2518MeOH O2 7553 1.527 4.327 3.622 -0.1771 0.2928 -0.5907
2518MeOH H3 7554 1.584 4.255 3.661 0.0452 0.2817 -0.9287
2519MeOH Me1 7555 4.435 4.639 3.811 -0.0124 -0.0008 0.2801
2519MeOH O2 7556 4.373 4.519 3.738 0.1340 0.2255 -0.2172
2519MeOH H3 7557 4.370 4.442 3.801 0.7619 -0.2176 -0.7104
2520MeOH Me1 7558 4.522 4.837 6.856 -0.5517 0.1963 0.1854
2520MeOH O2 7559 4.594 4.741 6.951 0.1236 0.3187 -0.2022
2520MeOH H3 7560 4.685 4.779 6.970 0.5348 0.0067 -1.4258
2521MeOH Me1 7561 0.966 1.019 10.726 0.0508 0.2728 0.3701
2521MeOH O2 7562 1.010 1.163 10.700 0.1204 0.0587 -0.7633
2521MeOH H3 7563 1.105 1.162 10.667 0.9043 -0.1528 1.3147
2522MeOH Me1 7564 2.883 3.370 4.985 0.1414 0.0178 -0.6777
2522MeOH O2 7565 3.009 3.290 4.954 0.3885 0.0667 0.1679
2522MeOH H3 7566 3.012 3.210 5.014 -0.2462 -0.2004 -0.1466
2523MeOH Me1 7567 3.914 3.333 4.205 -0.4484 -0.2947 0.0231
2523MeOH O2 7568 3.990 3.229 4.287 -0.0565 -0.3114 -0.3561
2523MeOH H3 7569 3.926 3.157 4.315 -0.0229 -0.1033 0.2840
2524MeOH Me1 7570 0.942 1.904 6.754 0.1656 -0.0145 -0.2996
2524MeOH O2 7571 1.090 1.892 6.715 0.3530 -0.3675 0.4935
2524MeOH H3 7572 1.104 1.803 6.672 0.3590 -0.3850 0.5324
2525MeOH Me1 7573 0.139 2.148 9.259 0.2486 0.7038 -0.1663
2525MeOH O2 7574 0.052 2.268 9.224 -0.2273 0.5571 0.4912
2525MeOH H3 7575 -0.044 2.242 9.234 -0.1167 0.5439 1.7106
2526MeOH Me1 7576 4.571 1.144 3.580 0.0825 -0.3708 -0.1878
2526MeOH O2 7577 4.705 1.091 3.633 -0.0138 -0.4926 -0.0582
2526MeOH H3 7578 4.734 1.016 3.574 -2.3289 -3.7988 2.6303
2527MeOH Me1 7579 2.234 4.608 6.219 0.7957 -0.1091 -0.3277
2527MeOH O2 7580 2.242 4.519 6.094 -0.2719 -0.0848 -0.4242
2527MeOH H3 7581 2.178 4.443 6.105 -0.7855 0.3670 -0.2612
2528MeOH Me1 7582 2.473 0.668 6.290 -0.0131 -0.4550 0.5840
2528MeOH O2 7583 2.581 0.579 6.227 -0.4897 -0.4816 -0.1998
2528MeOH H3 7584 2.552 0.556 6.134 -1.0727 -0.3016 -0.0692
2529MeOH Me1 7585 4.502 0.899 8.276 -0.2419 0.1526 -0.0568
2529MeOH O2 7586 4.618 0.826 8.344 0.0739 0.4406 -0.2786
2529MeOH H3 7587 4.700 0.837 8.288 0.2851 1.8364 0.2722
2530MeOH Me1 7588 2.756 4.423 4.781 -0.2304 -0.1933 -0.1518
2530MeOH O2 7589 2.883 4.413 4.696 -0.2230 -0.3318 -0.1281
2530MeOH H3 7590 2.923 4.504 4.688 -2.4951 0.5535 -3.7788
2531MeOH Me1 7591 0.663 0.111 9.273 0.1669 0.0871 0.1746
2531MeOH O2 7592 0.575 0.162 9.388 0.2917 -0.0637 0.3382
2531MeOH H3 7593 0.623 0.147 9.474 0.1997 -0.5815 0.3037
2532MeOH Me1 7594 1.411 4.647 8.178 -0.2390 0.2222 0.5784
2532MeOH O2 7595 1.423 4.668 8.027 0.6277 -0.2712 0.5724
2532MeOH H3 7596 1.519 4.686 8.005 0.9787 -1.5978 0.8951
2533MeOH Me1 7597 3.074 3.198 6.726 0.4595 -0.2496 -0.4406
2533MeOH O2 7598 2.964 3.092 6.730 0.6526 -0.4369 0.0241
2533MeOH H3 7599 2.997 3.013 6.782 0.4790 0.2059 1.1232
2534MeOH Me1 7600 2.860 4.748 3.750 0.1413 -0.2449 0.3321
2534MeOH O2 7601 2.760 4.674 3.660 0.1699 0.1496 -0.0250
2534MeOH H3 7602 2.782 4.576 3.662 -0.7364 -0.0538 0.7270
2535MeOH Me1 7603 1.138 0.841 8.164 -0.2258 0.0603 0.5486
2535MeOH O2 7604 0.991 0.836 8.123 -0.1119 -0.0623 0.1445
2535MeOH H3 7605 0.959 0.742 8.132 0.2072 -0.2828 -0.9080
2536MeOH Me1 7606 0.652 3.160 10.678 0.4266 0.2544 -0.4452
2536MeOH O2 7607 0.518 3.193 10.611 -0.2029 -0.1020 0.6154
2536MeOH H3 7608 0.536 3.214 10.514 -0.9384 0.6156 0.6308
2537MeOH Me1 7609 0.507 3.419 1.996 0.0257 0.2430 -0.4201
2537MeOH O2 7610 0.486 3.500 1.868 -0.3349 -0.1678 -0.6236
2537MeOH H3 7611 0.395 3.480 1.832 -1.3386 1.3598 0.8945
2538MeOH Me1 7612 4.308 1.047 4.962 -0.1780 0.2752 0.0017
2538MeOH O2 7613 4.269 1.081 4.818 -0.0473 0.4229 -0.0001
2538MeOH H3 7614 4.352 1.105 4.767 -0.1524 1.7562 0.4364
2539MeOH Me1 7615 3.322 2.276 3.307 0.2921 -0.0113 0.1455
2539MeOH O2 7616 3.329 2.166 3.414 0.0680 -0.2220 -0.0563
2539MeOH H3 7617 3.248 2.172 3.471 -0.0930 -0.3881 -0.2658
2540MeOH Me1 7618 4.904 4.189 29.818 -0.0705 0.5515 0.0907
2540MeOH O2 7619 4.779 4.126 29.758 0.2255 -0.1224 0.1731
2540MeOH H3 7620 4.800 4.096 29.665 0.0957 0.7457 -0.1408
2541MeOH Me1 7621 2.957 1.754 6.420 -0.1020 0.0774 0.1743
2541MeOH O2 7622 2.947 1.888 6.494 0.3186 0.2723 -0.1139
2541MeOH H3 7623 2.928 1.869 6.591 0.0484 0.5438 -0.1121
2542MeOH Me1 7624 1.847 1.256 8.037 -0.1650 0.2022 0.3576
2542MeOH O2 7625 1.712 1.298 8.096 -0.3131 -0.2834 0.3607
2542MeOH H3 7626 1.639 1.257 8.041 -0.1747 -1.9398 1.3552
2543MeOH Me1 7627 1.669 0.782 3.710 -0.2774 0.3589 0.1250
2543MeOH O2 7628 1.789 0.872 3.682 -0.4316 0.5814 0.1660
2543MeOH H3 7629 1.820 0.912 3.768 0.1570 -0.2472 0.3573
2544MeOH Me1 7630 3.818 0.368 0.859 0.0643 0.5711 -0.1549
2544MeOH O2 7631 3.873 0.245 0.931 -0.0024 0.6344 0.0052
2544MeOH H3 7632 3.931 0.194 0.867 1.3602 1.4289 0.5821
2545MeOH Me1 7633 0.290 4.888 7.450 -0.7244 -0.7276 -0.1956
2545MeOH O2 7634 0.281 4.987 7.333 0.4493 -0.0477 0.2681
2545MeOH H3 7635 0.315 4.942 7.251 -0.4999 -0.2378 -0.0368
2546MeOH Me1 7636 1.997 1.750 1.198 -0.2475 -0.3343 0.0599
2546MeOH O2 7637 2.065 1.620 1.243 -0.1519 -0.3676 -0.1819
2546MeOH H3 7638 2.162 1.626 1.220 -0.1485 -0.2377 -0.1360
2547MeOH Me1 7639 1.891 0.683 9.540 -0.4125 -0.3595 -0.3237
2547MeOH O2 7640 1.917 0.711 9.688 -0.1101 0.1525 -0.4720
2547MeOH H3 7641 1.835 0.688 9.740 -0.0494 0.4546 -0.2390
2548MeOH Me1 7642 4.049 4.177 4.630 0.0910 -0.3868 0.2757
2548MeOH O2 7643 3.996 4.191 4.773 -0.2407 0.4795 0.0765
2548MeOH H3 7644 3.975 4.099 4.808 -1.4816 0.7836 0.1513
2549MeOH Me1 7645 1.343 4.561 1.959 -0.1348 -0.4160 0.1618
2549MeOH O2 7646 1.227 4.579 1.861 0.1334 0.0409 -0.0988
2549MeOH H3 7647 1.249 4.529 1.777 -0.8876 -2.0418 0.8100
2550MeOH Me1 7648 1.696 0.538 10.773 -0.0992 -0.0960 0.5902
2550MeOH O2 7649 1.782 0.527 10.900 -0.0844 -0.1163 0.5784
2550MeOH H3 7650 1.722 0.501 10.976 0.0469 -0.8882 0.4329
2551MeOH Me1 7651 1.108 2.673 8.245 -0.3262 -0.4603 -0.3230
2551MeOH O2 7652 0.972 2.741 8.269 -0.1948 -0.0597 -0.7069
2551MeOH H3 7653 0.985 2.840 8.262 0.6602 0.0849 1.8942
2552MeOH Me1 7654 4.503 0.885 9.041 -0.5676 -0.4722 0.3179
2552MeOH O2 7655 4.455 0.815 8.913 0.1869 0.3093 -0.3984
2552MeOH H3 7656 4.409 0.883 8.856 2.5375 1.2211 -1.3378
2553MeOH Me1 7657 1.965 4.555 9.309 0.4587 0.8482 -0.1132
2553MeOH O2 7658 2.003 4.425 9.381 -0.4683 0.3255 -0.5489
2553MeOH H3 7659 1.977 4.434 9.477 1.3533 0.9707 -0.0863
2554MeOH Me1 7660 3.864 3.136 1.730 0.0113 -0.2514 -0.0286
2554MeOH O2 7661 3.923 3.261 1.663 0.4281 -0.3360 0.1675
2554MeOH H3 7662 3.849 3.325 1.644 0.7032 0.1621 0.7361
2555MeOH Me1 7663 2.502 0.330 4.749 0.1605 -0.4756 -0.3505
2555MeOH O2 7664 2.472 0.184 4.781 -0.2637 -0.2447 0.3349
2555MeOH H3 7665 2.396 0.153 4.725 0.4190 -0.6374 -0.3923
2556MeOH Me1 7666 0.789 4.211 0.531 0.0632 -0.3094 0.0680
2556MeOH O2 7667 0.728 4.199 0.670 0.0846 0.1098 0.1147
2556MeOH H3 7668 0.800 4.172 0.735 0.1156 0.4008 0.2028
2557MeOH Me1 7669 2.432 1.484 2.208 -0.1585 -0.0384 -0.3094
2557MeOH O2 7670 2.391 1.494 2.355 0.1277 -0.0040 -0.2326
2557MeOH H3 7671 2.298 1.459 2.365 0.6210 -1.2989 0.1704
2558MeOH Me1 7672 0.352 3.570 10.702 -0.1968 -0.6399 -0.0681
2558MeOH O2 7673 0.203 3.549 10.671 -0.1990 0.1555 -0.6290
2558MeOH H3 7674 0.167 3.634 10.631 0.0422 0.8935 0.6468
2559MeOH Me1 7675 0.519 0.289 3.474 0.3121 -0.1366 -0.0712
2559MeOH O2 7676 0.615 0.179 3.427 0.2115 -0.1583 -0.2267
2559MeOH H3 7677 0.709 0.210 3.443 0.2514 -0.0710 -0.6187
2560MeOH Me1 7678 2.137 3.893 5.495 0.2057 -0.1613 -0.1394
2560MeOH O2 7679 2.131 4.043 5.464 -0.2800 -0.2195 -0.3268
2560MeOH H3 7680 2.186 4.061 5.383 -0.0452 -0.0877 -0.1385
2561MeOH Me1 7681 3.648 3.891 0.528 0.1434 0.0146 -0.3209
2561MeOH O2 7682 3.750 3.999 0.566 -0.6101 0.6795 -0.1743
2561MeOH H3 7683 3.762 4.060 0.488 -2.2487 1.8591 0.4321
2562MeOH Me1 7684 0.698 3.706 0.143 0.5085 0.2836 -0.6832
2562MeOH O2 7685 0.609 3.642 0.036 0.0564 -0.2431 -0.0009
2562MeOH H3 7686 0.574 3.714 -0.023 1.0376 -0.6566 -1.1379
2563MeOH Me1 7687 0.830 3.758 0.989 0.3604 0.4168 -0.0215
2563MeOH O2 7688 0.924 3.649 0.937 -0.2627 -0.0649 -0.1497
2563MeOH H3 7689 0.878 3.600 0.863 -0.6415 0.1202 -0.0398
2564MeOH Me1 7690 3.319 0.800 9.241 -0.2118 -0.3107 0.6191
2564MeOH O2 7691 3.403 0.707 9.328 0.1829 -0.2905 0.2698
2564MeOH H3 7692 3.344 0.668 9.399 0.6365 0.2727 0.9701
2565MeOH Me1 7693 3.663 1.325 3.715 -0.0244 0.5953 -0.1323
2565MeOH O2 7694 3.798 1.253 3.709 -0.4661 -0.2396 -0.2245
2565MeOH H3 7695 3.816 1.213 3.799 -0.7952 -0.6287 -0.3266
2566MeOH Me1 7696 4.773 2.688 9.800 -0.1051 0.2581 -0.0115
2566MeOH O2 7697 4.906 2.653 9.868 -0.0912 -0.1515 -0.2526
2566MeOH H3 7698 4.964 2.608 9.800 -0.2502 -0.0941 -0.4295
2567MeOH Me1 7699 3.831 2.059 10.728 -0.7212 -0.0655 0.4528
2567MeOH O2 7700 3.799 2.140 10.602 0.4141 0.0376 0.2234
2567MeOH H3 7701 3.777 2.233 10.630 -0.8806 -0.2457 0.2181
2568MeOH Me1 7702 0.080 2.904 6.027 -0.1191 0.1505 -0.2848
2568MeOH O2 7703 0.091 2.758 6.071 -0.3849 0.4280 0.7101
2568MeOH H3 7704 0.188 2.734 6.077 -0.4143 -0.0920 -0.4779
2569MeOH Me1 7705 1.689 2.429 1.282 -1.1211 0.1381 0.0512
2569MeOH O2 7706 1.797 2.522 1.339 -0.6549 -0.3402 -0.0457
2569MeOH H3 7707 1.886 2.476 1.331 -0.7555 -0.3908 -0.8865
2570MeOH Me1 7708 2.353 0.037 5.746 -0.2640 -0.4407 0.1383
2570MeOH O2 7709 2.415 0.057 5.884 -0.6269 -0.1481 0.2559
2570MeOH H3 7710 2.485 0.128 5.877 0.2698 -1.0308 0.0095
2571MeOH Me1 7711 0.532 2.700 3.900 0.2596 0.0725 0.5804
2571MeOH O2 7712 0.661 2.780 3.919 0.5820 -0.2104 -0.3958
2571MeOH H3 7713 0.738 2.717 3.911 0.3847 -0.4000 -0.8659
2572MeOH Me1 7714 4.469 2.738 3.927 0.2688 0.5309 0.1511
2572MeOH O2 7715 4.329 2.786 3.964 -0.0063 -0.0454 -0.1378
2572MeOH H3 7716 4.328 2.809 4.061 0.5969 2.9512 -0.7271
2573MeOH Me1 7717 1.068 1.388 7.069 -0.6009 -0.7502 0.0326
2573MeOH O2 7718 1.142 1.258 7.099 0.6425 -0.0616 0.0332
2573MeOH H3 7719 1.139 1.200 7.017 0.7804 -0.2829 0.1834
2574MeOH Me1 7720 4.669 3.913 4.675 0.2438 -0.4217 0.0580
2574MeOH O2 7721 4.775 3.803 4.669 0.3374 -0.3199 -0.1776
2574MeOH H3 7722 4.821 3.799 4.758 1.5616 0.7325 -0.7079
2575MeOH Me1 7723 2.876 0.938 8.009 0.7221 -0.3945 0.0972
2575MeOH O2 7724 3.003 0.933 7.924 0.5392 -0.8230 -0.1556
2575MeOH H3 7725 2.995 1.000 7.851 0.3551 -1.2357 -0.5223
2576MeOH Me1 7726 2.638 3.680 6.695 -0.1329 -0.1051 0.0885
2576MeOH O2 7727 2.739 3.681 6.810 -0.0088 0.9512 -0.0206
2576MeOH H3 7728 2.829 3.660 6.773 -0.1767 -0.1743 0.1783
2577MeOH Me1 7729 0.922 3.115 0.210 -0.0960 0.0463 0.3883
2577MeOH O2 7730 0.839 3.241 0.239 0.0114 0.0809 0.5480
2577MeOH H3 7731 0.759 3.240 0.179 -0.7093 -0.4653 1.4923
2578MeOH Me1 7732 4.570 2.765 1.604 -0.3438 0.0743 0.0363
2578MeOH O2 7733 4.421 2.775 1.639 -0.2412 -0.1002 0.5432
2578MeOH H3 7734 4.376 2.829 1.568 -0.7537 -1.1313 0.0664
2579MeOH Me1 7735 0.402 1.322 4.938 -0.0515 0.0799 0.4763
2579MeOH O2 7736 0.496 1.442 4.934 0.3107 -0.2220 -0.1538
2579MeOH H3 7737 0.575 1.423 4.992 0.1898 -0.1216 0.0444
2580MeOH Me1 7738 3.349 0.929 8.069 0.7696 -0.3730 0.1649
2580MeOH O2 7739 3.279 0.834 7.971 0.0043 -0.0750 0.4122
2580MeOH H3 7740 3.183 0.859 7.966 0.3202 1.0845 -0.1312
2581MeOH Me1 7741 1.981 2.560 5.106 0.0110 -0.5613 0.0153
2581MeOH O2 7742 2.056 2.676 5.171 -0.0982 -0.4069 -0.1462
2581MeOH H3 7743 2.092 2.735 5.099 -3.1017 1.4843 -0.2371
2582MeOH Me1 7744 4.418 1.018 1.187 0.0309 -0.1185 -0.2734
2582MeOH O2 7745 4.410 0.915 1.075 -0.4112 -0.5301 0.1342
2582MeOH H3 7746 4.420 0.824 1.115 1.7754 -0.3073 0.2298
2583MeOH Me1 7747 0.930 3.979 3.705 -0.4784 -0.0160 0.2583
2583MeOH O2 7748 0.847 3.887 3.793 -0.8104 0.1929 0.1666
2583MeOH H3 7749 0.869 3.905 3.889 -0.1059 -0.5770 0.1562
2584MeOH Me1 7750 1.700 1.803 5.557 -0.1705 -0.6648 -0.1082
2584MeOH O2 7751 1.769 1.742 5.435 0.1872 -0.2899 -0.0964
2584MeOH H3 7752 1.833 1.809 5.397 1.4250 -0.7053 1.1857
2585MeOH Me1 7753 3.563 2.330 9.252 -0.7977 -0.1315 -0.2939
2585MeOH O2 7754 3.546 2.235 9.371 -0.4425 0.1744 0.0248
2585MeOH H3 7755 3.634 2.225 9.417 -0.1007 -0.3698 -0.7291
2586MeOH Me1 7756 4.056 4.377 2.348 0.1595 0.0600 0.0640
2586MeOH O2 7757 4.178 4.335 2.266 -0.0610 -0.5788 0.0577
2586MeOH H3 7758 4.146 4.291 2.182 -0.2987 -0.2067 -0.0488
2587MeOH Me1 7759 1.292 3.841 8.034 -0.2811 -0.2191 -0.5053
2587MeOH O2 7760 1.353 3.704 8.062 0.2204 0.1051 -0.0009
2587MeOH H3 7761 1.279 3.636 8.064 0.3297 -0.0011 1.3300
2588MeOH Me1 7762 0.796 0.398 4.663 -0.0201 0.7632 -0.2496
2588MeOH O2 7763 0.946 0.420 4.683 0.0548 0.1148 -0.0759
2588MeOH H3 7764 0.994 0.336 4.659 -0.1182 0.5295 -1.9908
2589MeOH Me1 7765 4.876 1.608 2.666 -0.0750 0.6603 -0.1094
2589MeOH O2 7766 5.022 1.575 2.696 -0.3596 -0.4953 0.0279
2589MeOH H3 7767 5.029 1.477 2.715 -1.2121 -0.4839 0.4188
2590MeOH Me1 7768 4.691 1.768 7.261 -0.0296 -0.5373 -0.0141
2590MeOH O2 7769 4.757 1.796 7.126 0.4251 -0.3699 0.2406
2590MeOH H3 7770 4.687 1.827 7.062 0.9946 2.0822 0.6878
2591MeOH Me1 7771 4.913 2.637 2.765 0.8481 0.0093 0.0356
2591MeOH O2 7772 5.005 2.566 2.865 0.7253 -0.5804 -0.2633
2591MeOH H3 7773 5.096 2.606 2.858 0.1746 1.1914 1.7929
2592MeOH Me1 7774 3.313 4.996 4.964 0.1065 0.1761 0.0406
2592MeOH O2 7775 3.349 4.849 4.987 1.1007 0.3186 -0.5713
2592MeOH H3 7776 3.433 4.829 4.937 1.1857 1.0698 -0.7399
2593MeOH Me1 7777 2.385 2.364 1.708 0.2538 0.3524 0.1359
2593MeOH O2 7778 2.438 2.468 1.807 -0.0084 0.4198 0.2171
2593MeOH H3 7779 2.487 2.420 1.879 1.0129 0.5464 -0.3712
2594MeOH Me1 7780 2.365 3.078 5.761 0.3388 -0.0178 -0.2482
2594MeOH O2 7781 2.516 3.076 5.735 0.4213 0.2646 0.1690
2594MeOH H3 7782 2.536 3.139 5.661 0.4536 0.0031 -0.0441
2595MeOH Me1 7783 0.472 0.748 2.431 -0.1140 0.6921 -0.0327
2595MeOH O2 7784 0.485 0.738 2.583 0.1694 -0.1671 -0.1095
2595MeOH H3 7785 0.414 0.795 2.624 0.9163 0.4487 0.3388
2596MeOH Me1 7786 4.651 2.335 8.035 0.0625 0.7569 0.1760
2596MeOH O2 7787 4.634 2.418 7.907 0.3927 0.1802 -0.2440
2596MeOH H3 7788 4.691 2.377 7.835 0.7697 -0.0058 0.1531
2597MeOH Me1 7789 0.979 1.412 1.058 0.1032 -0.7024 0.2332
2597MeOH O2 7790 0.826 1.407 1.061 0.0941 -0.1808 0.7510
2597MeOH H3 7791 0.793 1.380 0.970 -0.3665 1.3459 0.4313
2598MeOH Me1 7792 3.722 2.354 1.722 -0.5985 -0.1628 -0.0572
2598MeOH O2 7793 3.758 2.417 1.857 0.4936 -0.2800 -0.2796
2598MeOH H3 7794 3.686 2.483 1.881 0.0341 -1.1977 0.9452
2599MeOH Me1 7795 2.481 0.107 4.125 -0.1019 0.0230 -0.1757
2599MeOH O2 7796 2.379 0.000 4.084 -0.6305 0.3732 0.1930
2599MeOH H3 7797 2.329 0.034 4.005 0.5372 -0.2302 -0.8438
2600MeOH Me1 7798 3.209 2.370 5.870 0.0656 0.1390 0.1691
2600MeOH O2 7799 3.289 2.318 5.989 0.9334 0.1752 -0.3898
2600MeOH H3 7800 3.232 2.325 6.071 0.5713 -2.1690 -0.3850
2601MeOH Me1 7801 0.772 4.426 7.923 -0.2095 -0.1148 0.2259
2601MeOH O2 7802 0.829 4.513 7.811 -0.3340 0.2640 0.4568
2601MeOH H3 7803 0.875 4.592 7.853 1.6391 -1.0116 0.7735
2602MeOH Me1 7804 2.319 1.764 7.911 -0.1844 0.2236 0.1158
2602MeOH O2 7805 2.472 1.753 7.920 -0.1817 0.2170 0.0528
2602MeOH H3 7806 2.508 1.748 7.827 -0.1728 0.8621 0.0138
2603MeOH Me1 7807 2.528 4.202 0.065 0.2916 -0.1880 -0.0717
2603MeOH O2 7808 2.476 4.322 0.144 -0.3190 -0.1686 -0.5035
2603MeOH H3 7809 2.391 4.296 0.189 0.3953 -0.7963 0.5069
2604MeOH Me1 7810 4.698 0.721 1.880 -0.1551 0.4978 -0.1538
2604MeOH O2 7811 4.812 0.629 1.836 -0.8553 -0.6643 0.4355
2604MeOH H3 7812 4.867 0.676 1.767 -1.6325 -2.2410 -1.3783
2605MeOH Me1 7813 4.538 2.522 3.383 -0.2964 -0.2263 -0.5511
2605MeOH O2 7814 4.634 2.511 3.265 -0.0406 0.0774 -0.3710
2605MeOH H3 7815 4.719 2.470 3.298 -0.9130 -2.1322 -0.7352
2606MeOH Me1 7816 0.855 0.583 9.516 0.0902 0.1194 -0.7545
2606MeOH O2 7817 0.738 0.672 9.472 -0.0788 -0.0128 -0.5683
2606MeOH H3 7818 0.658 0.647 9.526 0.7009 1.7286 1.5425
2607MeOH Me1 7819 3.942 4.153 1.945 -0.1041 0.4934 0.4213
2607MeOH O2 7820 4.050 4.250 1.994 0.3349 -0.2638 0.9895
2607MeOH H3 7821 4.052 4.329 1.932 -0.5855 0.9786 2.4689
2608MeOH Me1 7822 3.863 5.079 10.038 -0.0003 -0.2898 -0.2066
2608MeOH O2 7823 3.916 4.937 10.018 0.2966 -0.1486 -0.4436
2608MeOH H3 7824 3.992 4.940 9.953 1.2151 0.3108 0.6201
2609MeOH Me1 7825 3.013 4.491 3.053 0.2248 -0.2424 0.4482
2609MeOH O2 7826 2.928 4.605 3.108 -0.2079 -0.1428 -0.4120
2609MeOH H3 7827 2.841 4.567 3.141 -0.1848 -0.1812 -0.3964
2610MeOH Me1 7828 4.519 2.004 3.297 -0.0281 -0.1648 -0.3254
2610MeOH O2 7829 4.664 1.957 3.290 -0.0131 -0.2154 0.2754
2610MeOH H3 7830 4.665 1.862 3.260 0.1274 0.1335 -0.8567
2611MeOH Me1 7831 2.399 0.909 4.679 0.1026 -0.1111 -0.6393
2611MeOH O2 7832 2.251 0.883 4.647 -0.1158 0.2419 0.0495
2611MeOH H3 7833 2.205 0.851 4.730 0.3713 -0.3828 0.0901
2612MeOH Me1 7834 3.632 0.422 1.651 -0.1245 0.6977 0.3990
2612MeOH O2 7835 3.510 0.334 1.621 0.2255 0.2521 0.2872
2612MeOH H3 7836 3.428 0.389 1.631 0.0384 0.0810 -0.2867
2613MeOH Me1 7837 3.204 0.114 1.605 0.4209 0.1630 -0.1126
2613MeOH O2 7838 3.236 -0.022 1.543 -0.1272 -0.0325 0.0265
2613MeOH H3 7839 3.297 -0.072 1.605 -1.5289 -0.8414 0.8013
2614MeOH Me1 7840 2.507 1.580 3.852 -0.2970 0.3732 0.1026
2614MeOH O2 7841 2.382 1.535 3.776 -0.3983 0.4629 0.2160
2614MeOH H3 7842 2.310 1.515 3.843 -0.9719 2.3408 0.2136
2615MeOH Me1 7843 1.329 0.420 2.526 0.2659 0.5790 -0.1597
2615MeOH O2 7844 1.244 0.534 2.585 -0.0390 0.0269 0.4870
2615MeOH H3 7845 1.183 0.567 2.513 1.3585 1.6906 -0.0001
2616MeOH Me1 7846 3.453 3.226 8.285 -0.6478 -0.5688 0.2345
2616MeOH O2 7847 3.393 3.351 8.351 -0.5902 -0.5555 0.2612
2616MeOH H3 7848 3.450 3.375 8.430 -0.5858 -0.6057 0.2737
2617MeOH Me1 7849 0.066 4.785 10.624 0.6941 -0.3136 0.4912
2617MeOH O2 7850 0.022 4.705 10.747 -0.1503 0.1319 0.4819
2617MeOH H3 7851 -0.049 4.641 10.719 0.5581 -0.4898 0.0811
2618MeOH Me1 7852 1.482 2.333 8.998 -0.1489 0.2843 -0.2470
2618MeOH O2 7853 1.616 2.260 9.003 -0.1238 0.3350 -0.1165
2618MeOH H3 7854 1.686 2.320 8.963 -0.4934 -0.5094 -2.0913
2619MeOH Me1 7855 4.418 0.131 10.069 0.3397 -0.9771 0.1835
2619MeOH O2 7856 4.539 0.107 10.160 0.5200 -0.2014 0.1558
2619MeOH H3 7857 4.563 0.193 10.204 1.1021 0.3667 -1.2321
2620MeOH Me1 7858 4.176 1.016 5.376 -0.2921 -0.2184 0.6407
2620MeOH O2 7859 4.119 1.141 5.443 0.4881 0.4978 -0.0071
2620MeOH H3 7860 4.084 1.202 5.371 1.7515 0.8071 -0.3882
2621MeOH Me1 7861 2.698 4.075 11.090 0.0431 -0.5346 -0.1215
2621MeOH O2 7862 2.577 3.992 11.047 -0.3729 -0.1759 0.3331
2621MeOH H3 7863 2.547 4.024 10.957 -2.2736 1.6913 1.5651
2622MeOH Me1 7864 1.747 2.496 29.411 0.0540 -0.4592 0.1130
2622MeOH O2 7865 1.821 2.384 29.484 0.4891 -0.1457 0.1578
2622MeOH H3 7866 1.789 2.296 29.447 -0.5209 -0.3544 1.4402
2623MeOH Me1 7867 0.165 3.186 2.006 0.1353 -0.1550 -0.2821
2623MeOH O2 7868 0.098 3.214 2.140 -0.1017 -0.1042 -0.4101
2623MeOH H3 7869 0.169 3.224 2.210 -0.2667 -2.3422 0.1693
2624MeOH Me1 7870 1.533 3.880 8.845 -0.0089 -0.2263 -0.4856
2624MeOH O2 7871 1.397 3.913 8.783 -0.2556 0.0626 0.1811
2624MeOH H3 7872 1.412 3.965 8.699 -0.4344 -1.8487 -1.1013
2625MeOH Me1 7873 2.095 2.966 9.056 0.0948 0.2879 0.0117
2625MeOH O2 7874 2.061 2.827 9.111 0.4744 0.0236 -0.4128
2625MeOH H3 7875 1.995 2.784 9.049 0.7001 -0.0232 -0.6196
2626MeOH Me1 7876 4.653 0.481 5.688 -0.0709 -0.4157 -0.0729
2626MeOH O2 7877 4.721 0.581 5.594 -0.7382 -0.0310 -0.1558
2626MeOH H3 7878 4.659 0.658 5.578 -1.9939 -1.3093 -1.6637
2627MeOH Me1 7879 0.637 3.874 10.130 0.0013 -0.0575 -0.7721
2627MeOH O2 7880 0.527 3.879 10.237 0.4523 0.0409 -0.3200
2627MeOH H3 7881 0.567 3.856 10.325 0.5321 -1.3709 -0.6899
2628MeOH Me1 7882 0.271 2.150 5.751 0.2503 -0.5827 0.1781
2628MeOH O2 7883 0.364 2.169 5.870 0.1112 -0.3555 0.2521
2628MeOH H3 7884 0.309 2.184 5.952 0.0135 -0.3083 0.1773
2629MeOH Me1 7885 2.051 3.098 4.796 -0.0482 -0.2169 0.0446
2629MeOH O2 7886 2.130 2.972 4.761 0.5470 0.3886 -0.8403
2629MeOH H3 7887 2.066 2.903 4.725 0.9721 0.5464 -1.9186
2630MeOH Me1 7888 4.409 4.087 1.935 -0.1150 -0.5023 -0.2588
2630MeOH O2 7889 4.528 4.001 1.893 0.4923 0.3002 -0.2035
2630MeOH H3 7890 4.586 3.986 1.973 -0.6244 -1.1674 0.3789
2631MeOH Me1 7891 2.728 2.584 29.290 -0.0965 0.2202 0.2035
2631MeOH O2 7892 2.827 2.667 29.208 0.1070 0.2268 0.4672
2631MeOH H3 7893 2.827 2.761 29.244 0.5055 0.0696 0.8948
2632MeOH Me1 7894 4.578 0.779 6.588 -0.3122 -0.4604 -0.1840
2632MeOH O2 7895 4.692 0.878 6.618 -0.7155 -0.2099 0.5359
2632MeOH H3 7896 4.655 0.971 6.613 -0.7256 -0.2538 -0.4706
2633MeOH Me1 7897 4.176 1.003 3.334 0.1111 -0.3919 0.1173
2633MeOH O2 7898 4.223 0.909 3.224 0.5740 -0.2556 0.1965
2633MeOH H3 7899 4.185 0.818 3.241 -0.1162 -0.1024 -0.4815
2634MeOH Me1 7900 2.492 1.693 7.225 -0.1056 -0.2850 -0.5390
2634MeOH O2 7901 2.377 1.790 7.193 0.0368 0.0343 -0.0935
2634MeOH H3 7902 2.290 1.741 7.206 -0.0196 -0.3026 -1.5590
2635MeOH Me1 7903 4.253 2.511 -0.022 -0.4272 -0.4696 0.3655
2635MeOH O2 7904 4.241 2.574 0.117 -0.2579 -0.0057 0.1710
2635MeOH H3 7905 4.321 2.546 0.171 -1.9025 -2.7814 1.3442
2636MeOH Me1 7906 4.924 4.036 2.091 -0.0205 -0.1635 -0.5080
2636MeOH O2 7907 4.773 4.041 2.117 0.0281 0.2406 -0.2913
2636MeOH H3 7908 4.754 4.114 2.182 0.1696 1.1620 -1.2625
2637MeOH Me1 7909 4.062 4.957 7.396 -0.1384 0.3384 -0.1964
2637MeOH O2 7910 4.098 4.991 7.251 -0.2393 -0.4423 -0.4070
2637MeOH H3 7911 4.014 4.992 7.197 -0.2181 -1.3010 -0.4826
2638MeOH Me1 7912 3.686 3.304 3.908 0.3484 -0.3656 -0.9728
2638MeOH O2 7913 3.705 3.455 3.895 0.0285 -0.2610 -0.2912
2638MeOH H3 7914 3.646 3.501 3.961 -0.0777 -0.6837 -0.0914
2639MeOH Me1 7915 -0.108 1.531 3.506 0.0877 0.1676 -0.3191
2639MeOH O2 7916 0.037 1.483 3.514 -0.0754 -0.3389 -0.3556
2639MeOH H3 7917 0.095 1.562 3.534 -0.0874 -0.9288 2.5018
2640MeOH Me1 7918 0.742 0.593 8.150 -0.0615 -0.5038 -0.2442
2640MeOH O2 7919 0.894 0.581 8.166 -0.0776 -0.5531 -0.1249
2640MeOH H3 7920 0.917 0.486 8.189 -0.2599 -0.2564 1.3977
2641MeOH Me1 7921 4.416 0.611 8.564 -0.4158 0.6312 -0.1120
2641MeOH O2 7922 4.539 0.601 8.473 -0.1854 0.1363 0.2495
2641MeOH H3 7923 4.561 0.692 8.438 1.1178 0.2860 1.3864
2642MeOH Me1 7924 3.775 3.891 3.617 0.1679 0.6852 0.2220
2642MeOH O2 7925 3.689 3.982 3.529 0.2847 -0.0699 -0.6774
2642MeOH H3 7926 3.606 3.932 3.503 0.3708 -0.3297 -0.4503
2643MeOH Me1 7927 1.942 5.124 8.379 -0.1529 0.2244 -0.4109
2643MeOH O2 7928 1.918 4.993 8.304 0.7472 -0.0120 -0.2950
2643MeOH H3 7929 1.895 4.922 8.371 1.9044 -0.2870 -0.1686
2644MeOH Me1 7930 3.267 1.530 1.248 0.4748 -0.1063 0.1644
2644MeOH O2 7931 3.140 1.494 1.326 0.1531 0.1035 -0.2554
2644MeOH H3 7932 3.072 1.459 1.262 0.7470 -0.9613 -0.3358
2645MeOH Me1 7933 2.043 4.982 7.995 0.3851 -0.1473 0.4216
2645MeOH O2 7934 2.137 4.986 8.115 0.2235 0.2551 0.5387
2645MeOH H3 7935 2.090 4.946 8.194 1.6726 -4.1238 -0.5249
2646MeOH Me1 7936 2.882 4.303 5.638 -0.3261 -0.0207 -0.1062
2646MeOH O2 7937 2.759 4.303 5.547 -0.1150 -0.0155 -0.3947
2646MeOH H3 7938 2.713 4.391 5.556 -0.0005 0.0750 -0.7043
2647MeOH Me1 7939 4.897 0.654 6.802 0.3098 0.0181 -0.1004
2647MeOH O2 7940 4.870 0.804 6.809 -0.2711 -0.0669 -0.3964
2647MeOH H3 7941 4.808 0.829 6.735 -0.4441 -0.4678 -0.3892
2648MeOH Me1 7942 2.442 0.271 3.419 0.1009 0.7244 -0.1975
2648MeOH O2 7943 2.419 0.276 3.268 -0.3905 0.1026 -0.1493
2648MeOH H3 7944 2.334 0.326 3.250 -0.2884 0.3000 -0.0898
2649MeOH Me1 7945 1.476 3.475 9.162 -0.6219 -0.2961 -0.7624
2649MeOH O2 7946 1.414 3.405 9.283 -0.0011 0.1117 -0.2037
2649MeOH H3 7947 1.318 3.385 9.262 0.1313 -0.7804 0.0043
2650MeOH Me1 7948 2.198 4.173 7.785 -0.4467 -1.0236 -0.0079
2650MeOH O2 7949 2.256 4.102 7.662 0.0931 0.1971 -0.4668
2650MeOH H3 7950 2.323 4.035 7.693 0.5501 0.4518 -0.8962
2651MeOH Me1 7951 2.107 1.693 4.954 0.4849 -0.3509 -0.7378
2651MeOH O2 7952 2.084 1.639 4.813 -0.0193 -0.3684 -0.6495
2651MeOH H3 7953 2.168 1.596 4.781 0.6939 1.8427 -1.9271
2652MeOH Me1 7954 3.982 1.637 9.045 -0.1858 -0.3560 0.4753
2652MeOH O2 7955 4.095 1.731 9.089 -0.5418 0.3502 -0.0938
2652MeOH H3 7956 4.062 1.825 9.084 -0.1506 0.4256 -3.1094
2653MeOH Me1 7957 4.047 4.434 8.298 -0.1130 -0.1267 0.1327
2653MeOH O2 7958 4.045 4.426 8.451 -0.4671 -0.1715 0.1109
2653MeOH H3 7959 3.992 4.503 8.486 0.1038 0.2525 0.0509
2654MeOH Me1 7960 0.196 4.201 6.281 -0.1908 -0.3177 0.1664
2654MeOH O2 7961 0.046 4.222 6.262 -0.1128 0.0661 -0.0546
2654MeOH H3 7962 0.010 4.270 6.342 -0.3706 -1.1903 0.6068
2655MeOH Me1 7963 0.607 2.870 5.606 -0.1835 0.0070 -0.2926
2655MeOH O2 7964 0.604 2.794 5.739 0.0295 0.1194 -0.2216
2655MeOH H3 7965 0.539 2.718 5.730 0.5455 -0.3210 -0.2855
2656MeOH Me1 7966 3.978 4.617 1.916 -0.1272 -0.3941 0.5271
2656MeOH O2 7967 4.018 4.520 1.805 -0.3204 0.8829 -0.6725
2656MeOH H3 7968 3.939 4.506 1.745 -1.3022 -0.5732 0.9030
2657MeOH Me1 7969 3.704 2.838 2.912 -0.3322 0.7016 -0.0164
2657MeOH O2 7970 3.570 2.857 2.982 -0.5576 -0.2282 -0.1863
2657MeOH H3 7971 3.500 2.805 2.932 0.0080 -1.3999 0.2075
2658MeOH Me1 7972 1.833 2.907 7.284 0.5386 -0.5193 -0.1844
2658MeOH O2 7973 1.787 2.820 7.167 -0.3844 0.3103 -0.4618
2658MeOH H3 7974 1.743 2.878 7.099 1.8336 1.3219 -1.1353
2659MeOH Me1 7975 4.744 3.002 0.792 0.1437 -0.3568 -0.6831
2659MeOH O2 7976 4.640 3.109 0.756 0.6124 0.4317 0.2394
2659MeOH H3 7977 4.557 3.063 0.725 0.2978 1.0653 0.1256
2660MeOH Me1 7978 1.077 3.696 1.754 0.1735 0.0600 -0.1002
2660MeOH O2 7979 1.052 3.550 1.792 -0.4590 0.2930 0.3892
2660MeOH H3 7980 0.990 3.510 1.725 -2.2207 0.8687 1.5968
2661MeOH Me1 7981 3.008 4.608 0.536 0.2400 -0.5210 -0.0090
2661MeOH O2 7982 3.087 4.499 0.610 0.6716 -0.3148 -0.1623
2661MeOH H3 7983 3.030 4.464 0.684 2.0184 1.6426 1.9182
2662MeOH Me1 7984 3.102 2.256 8.227 0.1123 -0.0767 0.0869
2662MeOH O2 7985 3.084 2.104 8.222 0.3461 -0.1100 0.1169
2662MeOH H3 7986 3.168 2.064 8.184 0.7688 -0.0586 0.9673
2663MeOH Me1 7987 1.449 4.597 3.144 -0.4489 0.4025 0.4867
2663MeOH O2 7988 1.332 4.567 3.237 -0.1666 0.2125 0.7827
2663MeOH H3 7989 1.269 4.504 3.190 -0.0827 -0.0511 1.0174
2664MeOH Me1 7990 4.790 2.400 4.486 -0.3873 0.0558 0.3577
2664MeOH O2 7991 4.663 2.450 4.554 -0.0395 0.3845 0.7709
2664MeOH H3 7992 4.612 2.508 4.490 -0.7645 -0.5688 0.4694
2665MeOH Me1 7993 4.219 3.785 1.036 -0.3406 -0.2060 -0.1222
2665MeOH O2 7994 4.142 3.866 1.141 -0.5199 -0.7917 0.1888
2665MeOH H3 7995 4.208 3.909 1.202 -0.4222 1.4742 -1.3681
2666MeOH Me1 7996 0.849 1.276 4.353 0.3690 -0.0797 0.0060
2666MeOH O2 7997 0.716 1.213 4.312 0.3712 -0.0327 -0.0722
2666MeOH H3 7998 0.734 1.143 4.244 0.5154 -0.8897 0.8236
2667MeOH Me1 7999 5.126 2.866 8.158 -0.0753 -0.0189 0.2527
2667MeOH O2 8000 4.989 2.928 8.187 -0.0139 0.1923 0.0963
2667MeOH H3 8001 4.919 2.856 8.179 -0.2081 0.4648 -0.7457
2668MeOH Me1 8002 -0.071 0.778 3.979 0.4016 0.0962 -0.0234
2668MeOH O2 8003 0.042 0.712 4.058 0.3825 0.7686 0.5733
2668MeOH H3 8004 0.104 0.784 4.090 0.4178 1.0400 -0.0894
2669MeOH Me1 8005 0.518 1.751 4.773 -0.2293 -0.6535 0.6359
2669MeOH O2 8006 0.651 1.792 4.835 0.0325 -0.0726 -0.2872
2669MeOH H3 8007 0.705 1.841 4.766 -0.7887 0.4608 -0.5656
2670MeOH Me1 8008 3.373 4.223 4.109 0.2742 0.2386 -0.3004
2670MeOH O2 8009 3.423 4.293 4.236 -0.5382 0.2088 0.0457
2670MeOH H3 8010 3.344 4.326 4.287 -0.8716 0.2062 -0.4586
2671MeOH Me1 8011 1.724 2.825 5.598 -0.5894 0.2689 -0.2387
2671MeOH O2 8012 1.720 2.817 5.751 -0.6830 0.2440 -0.2437
2671MeOH H3 8013 1.702 2.722 5.777 0.6136 -0.0264 -0.2662
2672MeOH Me1 8014 3.364 3.071 5.504 -0.1441 -0.0372 -0.4769
2672MeOH O2 8015 3.231 3.087 5.577 0.1734 -0.1087 0.1184
2672MeOH H3 8016 3.248 3.077 5.675 0.3677 -1.7450 -0.0537
2673MeOH Me1 8017 0.427 0.286 7.577 0.4011 0.1689 0.3035
2673MeOH O2 8018 0.441 0.136 7.549 0.5198 0.1355 0.5367
2673MeOH H3 8019 0.377 0.111 7.477 0.7230 0.0239 0.3936
2674MeOH Me1 8020 2.046 3.716 8.988 -0.0587 0.0457 0.1959
2674MeOH O2 8021 2.173 3.802 8.984 0.2480 -0.4134 -0.0999
2674MeOH H3 8022 2.165 3.867 8.908 -0.0446 0.1412 0.3982
2675MeOH Me1 8023 0.498 1.035 10.949 -0.3141 -0.0177 -0.0479
2675MeOH O2 8024 0.635 0.972 10.922 -0.3381 0.1277 -0.5224
2675MeOH H3 8025 0.691 1.039 10.874 -0.1616 0.6474 0.3726
2676MeOH Me1 8026 4.000 1.140 8.597 -0.0404 -0.3184 0.0721
2676MeOH O2 8027 4.122 1.080 8.527 -0.3176 0.1012 -0.7822
2676MeOH H3 8028 4.120 1.108 8.431 0.5345 2.6244 -0.1331
2677MeOH Me1 8029 1.774 3.757 0.161 -0.1980 -0.5120 -0.0171
2677MeOH O2 8030 1.740 3.736 0.014 0.9043 -0.4171 -0.2925
2677MeOH H3 8031 1.747 3.638 -0.007 1.9499 -0.3094 -0.5262
2678MeOH Me1 8032 3.504 0.010 -0.021 0.2810 -0.1019 0.2071
2678MeOH O2 8033 3.568 0.116 0.069 0.0475 0.2289 -0.0175
2678MeOH H3 8034 3.553 0.206 0.028 1.7989 -0.0700 -1.4066
2679MeOH Me1 8035 0.584 2.406 1.903 0.2887 -0.1302 -0.0883
2679MeOH O2 8036 0.525 2.344 1.776 0.0621 -0.4007 0.1459
2679MeOH H3 8037 0.470 2.414 1.730 0.4853 -0.3058 -0.2267
2680MeOH Me1 8038 4.365 3.282 0.452 -0.4599 -0.0284 0.1069
2680MeOH O2 8039 4.313 3.147 0.402 -0.3782 -0.1430 0.3271
2680MeOH H3 8040 4.297 3.155 0.303 1.3746 -0.8491 -0.0504
2681MeOH Me1 8041 4.360 4.758 4.540 -0.2197 -0.6583 0.0112
2681MeOH O2 8042 4.237 4.827 4.479 -0.2190 -0.3903 0.3087
2681MeOH H3 8043 4.174 4.850 4.553 0.5029 0.7520 0.5888
2682MeOH Me1 8044 2.930 4.119 1.037 0.1175 0.1523 -0.6224
2682MeOH O2 8045 2.855 4.119 0.904 -0.4245 -0.6634 -0.3306
2682MeOH H3 8046 2.834 4.025 0.879 1.8647 -1.0553 -0.9950
2683MeOH Me1 8047 2.538 0.592 4.041 0.0901 0.3813 0.0367
2683MeOH O2 8048 2.454 0.709 4.094 0.3844 0.4561 0.2921
2683MeOH H3 8049 2.415 0.757 4.016 -1.4406 -0.6777 0.4434
2684MeOH Me1 8050 2.609 3.459 5.711 -0.0417 0.1189 -0.4493
2684MeOH O2 8051 2.583 3.354 5.604 0.0589 -0.0128 -0.3451
2684MeOH H3 8052 2.570 3.400 5.516 1.6908 -0.2002 -0.7139
2685MeOH Me1 8053 3.683 2.651 1.090 0.0547 -0.0703 0.0636
2685MeOH O2 8054 3.624 2.570 0.974 0.0681 0.3753 -0.2564
2685MeOH H3 8055 3.525 2.567 0.985 0.1630 -0.8226 0.5138
2686MeOH Me1 8056 0.361 2.950 10.457 0.2291 0.2091 -0.1899
2686MeOH O2 8057 0.355 2.980 10.607 0.2881 0.4740 -0.2386
2686MeOH H3 8058 0.388 3.073 10.622 0.1850 0.5427 -0.4277
2687MeOH Me1 8059 4.168 3.923 29.132 -0.0137 -0.0729 -0.5344
2687MeOH O2 8060 4.307 3.865 29.158 -0.0881 0.0191 0.0218
2687MeOH H3 8061 4.300 3.800 29.234 -0.2188 0.5009 0.4325
2688MeOH Me1 8062 3.356 3.344 6.872 -0.1056 -0.0626 0.4811
2688MeOH O2 8063 3.360 3.487 6.818 -0.6489 -0.1111 0.3060
2688MeOH H3 8064 3.414 3.543 6.881 -0.8111 0.1566 0.2075
2689MeOH Me1 8065 1.070 4.675 4.150 0.1183 -0.5276 0.2878
2689MeOH O2 8066 1.047 4.547 4.069 -0.3995 -0.3071 0.0792
2689MeOH H3 8067 1.054 4.469 4.131 -0.2062 -0.4660 -0.1449
2690MeOH Me1 8068 3.202 1.365 8.104 0.6503 -0.7435 0.1460
2690MeOH O2 8069 3.273 1.426 8.225 0.5611 -0.0750 -0.1132
2690MeOH H3 8070 3.203 1.462 8.287 0.4479 -0.7384 0.1536
2691MeOH Me1 8071 3.842 4.453 1.123 -0.1145 -0.4858 0.3181
2691MeOH O2 8072 3.837 4.452 1.276 0.0248 -0.4407 0.3388
2691MeOH H3 8073 3.925 4.483 1.312 0.5262 -1.6809 0.2457
2692MeOH Me1 8074 4.249 3.734 6.607 0.2806 0.5772 0.1636
2692MeOH O2 8075 4.355 3.783 6.705 0.3555 -0.1540 0.4533
2692MeOH H3 8076 4.337 3.742 6.795 0.6085 -1.0747 0.0952
2693MeOH Me1 8077 3.891 3.589 6.801 0.4936 -0.1915 -0.3567
2693MeOH O2 8078 3.998 3.698 6.806 0.4459 -0.1580 -0.1001
2693MeOH H3 8079 4.088 3.655 6.802 0.4887 -0.0097 -2.8686
2694MeOH Me1 8080 3.430 1.293 7.243 -0.1867 -0.3993 0.1568
2694MeOH O2 8081 3.464 1.412 7.153 -0.5231 -0.2241 0.2594
2694MeOH H3 8082 3.409 1.406 7.070 -1.0018 0.0620 0.5518
2695MeOH Me1 8083 2.837 0.219 6.531 -0.3848 0.1358 -0.4122
2695MeOH O2 8084 2.868 0.234 6.382 0.3671 -0.2867 -0.3063
2695MeOH H3 8085 2.884 0.331 6.362 -0.8591 -0.1594 -0.7527
2696MeOH Me1 8086 1.833 4.736 6.799 -0.0588 0.0416 -0.4614
2696MeOH O2 8087 1.955 4.656 6.846 -0.2034 0.0409 -0.0886
2696MeOH H3 8088 1.960 4.572 6.792 -0.0629 0.0211 -0.0440
2697MeOH Me1 8089 2.293 4.226 5.248 0.3645 0.3081 0.1067
2697MeOH O2 8090 2.235 4.086 5.226 0.2186 0.2146 1.0513
2697MeOH H3 8091 2.224 4.072 5.127 -0.8080 -0.0132 1.1844
2698MeOH Me1 8092 2.898 1.023 10.581 0.1797 -0.3402 -0.4829
2698MeOH O2 8093 2.890 1.163 10.520 0.2610 -0.1292 -0.0094
2698MeOH H3 8094 2.875 1.229 10.594 1.0234 -0.3012 0.3067
2699MeOH Me1 8095 3.343 2.574 2.815 0.3322 -0.4083 0.3131
2699MeOH O2 8096 3.375 2.716 2.862 0.2273 -0.2880 0.0216
2699MeOH H3 8097 3.292 2.757 2.899 0.2086 -0.2911 -0.0163
2700MeOH Me1 8098 4.740 2.089 4.779 0.0652 -0.3184 -0.1068
2700MeOH O2 8099 4.803 2.136 4.911 0.1134 -0.5525 -0.0479
2700MeOH H3 8100 4.862 2.063 4.945 1.3388 -0.0247 -0.9881
2701MeOH Me1 8101 0.233 1.452 3.159 0.0312 -0.4700 0.2952
2701MeOH O2 8102 0.240 1.309 3.214 -0.2583 -0.5307 0.1847
2701MeOH H3 8103 0.212 1.311 3.310 2.2210 -0.0835 0.9925
2702MeOH Me1 8104 3.755 2.308 0.457 0.2201 0.3885 0.3341
2702MeOH O2 8105 3.847 2.220 0.373 0.0037 0.0494 0.4501
2702MeOH H3 8106 3.838 2.125 0.404 1.7454 0.4480 2.3945
2703MeOH Me1 8107 2.060 4.963 3.318 0.3397 0.2042 0.5270
2703MeOH O2 8108 2.028 4.814 3.299 -0.3373 0.3136 0.7829
2703MeOH H3 8109 1.937 4.806 3.257 0.5031 0.7412 -1.2614
2704MeOH Me1 8110 2.703 4.337 5.208 0.3214 0.0782 0.5613
2704MeOH O2 8111 2.757 4.220 5.291 -0.0403 -0.5604 -0.0859
2704MeOH H3 8112 2.754 4.246 5.388 -1.1288 -1.5647 0.1705
2705MeOH Me1 8113 0.394 3.554 9.466 0.1063 0.0693 -0.5056
2705MeOH O2 8114 0.482 3.525 9.587 -0.2917 -0.2999 -0.3026
2705MeOH H3 8115 0.425 3.522 9.668 -0.4008 0.6087 -0.3372
2706MeOH Me1 8116 3.567 2.277 7.842 -0.0371 -0.1994 0.3336
2706MeOH O2 8117 3.455 2.200 7.772 -0.3698 0.6342 -0.0655
2706MeOH H3 8118 3.367 2.233 7.808 -0.2041 0.2605 0.7063
2707MeOH Me1 8119 0.961 0.097 7.977 -0.0145 -0.0804 -0.0825
2707MeOH O2 8120 0.866 -0.020 7.951 -0.8211 0.4345 0.4946
2707MeOH H3 8121 0.811 0.002 7.870 -1.2125 0.7616 0.8509
2708MeOH Me1 8122 2.310 3.478 7.367 0.4301 -0.0504 -0.4237
2708MeOH O2 8123 2.343 3.597 7.457 -0.3038 0.1095 -0.3600
2708MeOH H3 8124 2.434 3.583 7.496 -0.4163 0.4157 0.0179
2709MeOH Me1 8125 3.745 2.656 10.287 -0.1287 0.1705 0.4814
2709MeOH O2 8126 3.877 2.647 10.363 -0.0870 -0.2181 0.3631
2709MeOH H3 8127 3.905 2.739 10.390 0.3632 -0.2663 0.0748
2710MeOH Me1 8128 4.366 2.209 29.780 -0.4201 -0.0845 -0.4239
2710MeOH O2 8129 4.517 2.238 29.779 -0.3779 -0.2905 -0.1522
2710MeOH H3 8130 4.544 2.259 29.685 -0.3548 0.5765 0.0450
2711MeOH Me1 8131 4.939 3.495 2.088 -0.5317 0.1062 -0.2614
2711MeOH O2 8132 4.887 3.633 2.129 -0.5597 0.2120 -0.6526
2711MeOH H3 8133 4.796 3.645 2.091 0.4374 1.1289 -2.9236
2712MeOH Me1 8134 0.432 1.985 2.116 0.2961 -0.0391 -0.1222
2712MeOH O2 8135 0.455 1.838 2.078 0.0002 -0.1308 0.0573
2712MeOH H3 8136 0.373 1.786 2.103 -0.2533 0.1309 -0.2263
2713MeOH Me1 8137 3.782 4.482 3.091 -0.0901 0.1354 0.0209
2713MeOH O2 8138 3.783 4.632 3.119 -0.1569 0.1866 -0.2503
2713MeOH H3 8139 3.692 4.669 3.098 -1.0365 -0.3710 2.2291
2714MeOH Me1 8140 3.869 2.066 2.431 0.2460 -0.3911 0.3081
2714MeOH O2 8141 3.765 2.048 2.320 0.3148 -0.3038 0.2285
2714MeOH H3 8142 3.806 1.995 2.246 0.9844 1.3543 -0.6386
2715MeOH Me1 8143 4.733 2.802 10.651 0.2789 0.0908 -0.4420
2715MeOH O2 8144 4.699 2.709 10.767 0.8828 -0.0196 -0.3550
2715MeOH H3 8145 4.782 2.658 10.793 0.9301 -0.3336 -1.1073
2716MeOH Me1 8146 4.301 1.990 7.393 -0.5065 0.2654 -0.2690
2716MeOH O2 8147 4.318 1.860 7.315 -0.2098 0.2208 -0.1326
2716MeOH H3 8148 4.334 1.786 7.380 -1.3154 0.1132 0.0340
2717MeOH Me1 8149 2.527 3.945 2.364 0.1249 -0.1332 -0.7922
2717MeOH O2 8150 2.432 3.825 2.375 0.1242 -0.0904 -0.2880
2717MeOH H3 8151 2.479 3.752 2.425 1.2220 -0.9486 -2.4528
2718MeOH Me1 8152 2.679 4.949 10.275 -0.0524 -0.0921 0.4229
2718MeOH O2 8153 2.635 4.996 10.414 0.6450 0.1698 0.5570
2718MeOH H3 8154 2.549 5.046 10.406 0.9032 0.6674 0.8212
2719MeOH Me1 8155 3.135 4.382 6.626 -0.1384 -0.1122 -0.2434
2719MeOH O2 8156 3.222 4.473 6.713 0.2639 -0.2097 -0.5430
2719MeOH H3 8157 3.221 4.565 6.674 -0.5079 0.0054 -0.0259
2720MeOH Me1 8158 1.607 3.389 3.089 0.2511 -0.1815 0.0082
2720MeOH O2 8159 1.596 3.239 3.114 0.3154 -0.1188 0.4447
2720MeOH H3 8160 1.678 3.194 3.080 -0.3397 -0.3517 -0.8850
2721MeOH Me1 8161 0.237 0.193 1.907 0.1783 -1.2552 -0.0388
2721MeOH O2 8162 0.101 0.164 1.971 -0.1410 0.3778 0.0856
2721MeOH H3 8163 0.041 0.243 1.957 0.7982 1.1118 0.1564
2722MeOH Me1 8164 0.134 2.954 6.964 0.5565 -0.0305 0.7891
2722MeOH O2 8165 0.123 3.101 6.924 -0.1930 -0.1955 0.3782
2722MeOH H3 8166 0.189 3.153 6.977 1.1534 -0.0292 -1.3828
2723MeOH Me1 8167 0.500 3.827 3.996 -0.2022 0.4552 0.4459
2723MeOH O2 8168 0.369 3.751 3.973 0.1703 0.0319 -0.3384
2723MeOH H3 8169 0.317 3.798 3.902 -1.0539 1.8607 1.6338
2724MeOH Me1 8170 4.390 0.026 0.759 0.1515 0.7978 0.2471
2724MeOH O2 8171 4.274 0.099 0.691 -0.7046 -0.2773 0.5180
2724MeOH H3 8172 4.278 0.195 0.718 1.8525 1.0675 -3.7182
2725MeOH Me1 8173 2.122 0.866 9.346 0.0910 0.2265 0.8017
2725MeOH O2 8174 2.153 1.015 9.362 -0.0362 0.3322 0.1247
2725MeOH H3 8175 2.082 1.056 9.420 -0.6358 0.7511 -0.8836
2726MeOH Me1 8176 4.081 4.615 3.362 -0.3942 -0.0336 -0.2468
2726MeOH O2 8177 4.138 4.623 3.220 -0.0330 0.3338 -0.0820
2726MeOH H3 8178 4.065 4.648 3.158 -0.2575 -1.1522 -0.4457
2727MeOH Me1 8179 3.910 1.398 1.156 -0.3289 -0.1390 0.1505
2727MeOH O2 8180 3.960 1.495 1.049 -0.3300 -0.0456 0.2339
2727MeOH H3 8181 4.056 1.516 1.068 -0.2105 -0.3821 0.0194
2728MeOH Me1 8182 4.822 0.821 9.991 0.9845 -0.4183 0.2750
2728MeOH O2 8183 4.859 0.894 10.121 0.3957 0.2881 0.0544
2728MeOH H3 8184 4.938 0.848 10.162 1.9361 2.1332 -0.7257
2729MeOH Me1 8185 4.636 0.803 0.486 -0.5363 -0.3027 -0.5306
2729MeOH O2 8186 4.738 0.905 0.434 -0.0786 -0.3580 0.2458
2729MeOH H3 8187 4.824 0.892 0.484 -0.4147 -0.5063 0.7964
2730MeOH Me1 8188 2.218 3.533 8.419 -0.4049 -0.0724 0.5161
2730MeOH O2 8189 2.256 3.642 8.318 -0.5704 -0.2391 0.2724
2730MeOH H3 8190 2.299 3.599 8.239 0.8556 -0.2375 1.0102
2731MeOH Me1 8191 4.004 2.929 6.710 -0.0958 0.7715 -0.1717
2731MeOH O2 8192 3.970 3.056 6.789 -0.0166 0.4938 0.3185
2731MeOH H3 8193 3.872 3.059 6.803 0.1409 -0.3712 1.8409
2732MeOH Me1 8194 2.821 1.531 7.001 -0.4511 0.1341 0.0415
2732MeOH O2 8195 2.971 1.522 7.029 -0.3781 0.1143 -0.3428
2732MeOH H3 8196 3.020 1.514 6.942 -0.6560 -0.6999 -0.4344
2733MeOH Me1 8197 4.241 1.749 9.890 -0.2485 0.2865 0.2382
2733MeOH O2 8198 4.286 1.666 10.011 0.3426 0.0493 -0.1383
2733MeOH H3 8199 4.259 1.715 10.095 -0.3329 -0.6946 0.0904
2734MeOH Me1 8200 0.357 3.527 4.211 -0.6404 -0.1428 0.6020
2734MeOH O2 8201 0.243 3.562 4.115 -0.3151 0.6728 0.5088
2734MeOH H3 8202 0.280 3.622 4.043 -0.3522 2.3862 1.8591
2735MeOH Me1 8203 0.433 0.190 6.843 0.5094 0.0781 0.6161
2735MeOH O2 8204 0.462 0.060 6.769 0.3138 0.3235 0.1006
2735MeOH H3 8205 0.556 0.031 6.790 0.4757 0.4013 -0.4741
2736MeOH Me1 8206 2.410 4.032 10.113 0.6032 0.0746 -0.1946
2736MeOH O2 8207 2.326 3.938 10.026 1.1348 -0.4801 -0.1167
2736MeOH H3 8208 2.310 3.983 9.938 -1.2719 0.4866 0.7406
2737MeOH Me1 8209 2.522 3.765 3.693 0.2808 -0.3003 0.0204
2737MeOH O2 8210 2.614 3.690 3.790 -0.3069 -0.1437 0.7066
2737MeOH H3 8211 2.617 3.594 3.764 1.0299 0.0778 -0.0559
2738MeOH Me1 8212 2.534 4.838 3.356 -0.3080 0.0476 -0.1522
2738MeOH O2 8213 2.474 4.697 3.356 0.2464 -0.1925 -0.3071
2738MeOH H3 8214 2.394 4.697 3.296 -1.5962 0.3744 2.0411
2739MeOH Me1 8215 1.381 3.353 4.518 -0.0611 0.4725 -0.2490
2739MeOH O2 8216 1.340 3.369 4.371 0.1314 0.0448 -0.3522
2739MeOH H3 8217 1.281 3.450 4.364 1.4616 0.9975 -0.9193
2740MeOH Me1 8218 0.549 3.242 0.770 -0.1357 0.4252 -0.1086
2740MeOH O2 8219 0.450 3.289 0.663 -0.5603 0.1300 0.1521
2740MeOH H3 8220 0.363 3.242 0.678 -0.5531 0.2894 0.7256
2741MeOH Me1 8221 2.871 3.926 0.163 -0.0190 -0.3249 -0.1631
2741MeOH O2 8222 2.727 3.932 0.216 0.0380 0.7312 -0.1143
2741MeOH H3 8223 2.728 3.982 0.303 0.5111 0.3033 0.1330
2742MeOH Me1 8224 3.195 3.615 6.040 -0.1752 -0.2709 0.0184
2742MeOH O2 8225 3.137 3.474 6.030 0.2694 -0.4508 -0.0648
2742MeOH H3 8226 3.162 3.423 6.112 2.5354 -1.2378 -1.1545
2743MeOH Me1 8227 0.961 0.672 2.337 0.2461 -0.2286 -0.2952
2743MeOH O2 8228 1.035 0.565 2.416 -0.5460 -0.1846 0.5241
2743MeOH H3 8229 1.028 0.478 2.367 -0.8462 -0.4211 0.9815
2744MeOH Me1 8230 0.514 1.685 8.544 -0.2257 0.1807 -0.5079
2744MeOH O2 8231 0.481 1.715 8.691 0.3876 -0.3554 -0.2583
2744MeOH H3 8232 0.534 1.795 8.719 -0.7969 0.6104 -0.7099
2745MeOH Me1 8233 4.761 2.990 10.337 0.0584 -0.2039 1.0337
2745MeOH O2 8234 4.767 2.844 10.291 -0.1492 0.0555 0.1614
2745MeOH H3 8235 4.836 2.836 10.219 -0.1574 0.3841 0.1186
2746MeOH Me1 8236 4.377 1.103 6.470 -0.4178 0.1876 -0.1351
2746MeOH O2 8237 4.474 1.084 6.588 -0.1134 0.2780 -0.3700
2746MeOH H3 8238 4.524 1.169 6.602 1.4177 -0.3195 -1.8839
2747MeOH Me1 8239 0.067 4.473 4.504 -0.0318 -0.6951 0.1999
2747MeOH O2 8240 0.153 4.494 4.628 -0.3638 0.2850 0.2523
2747MeOH H3 8241 0.108 4.450 4.706 -0.4903 0.7691 0.4614
2748MeOH Me1 8242 0.655 1.668 9.008 -0.2897 -0.0070 -0.1315
2748MeOH O2 8243 0.779 1.617 8.936 -0.0858 0.1726 0.0928
2748MeOH H3 8244 0.860 1.645 8.988 -0.1692 1.1569 -0.2855
2749MeOH Me1 8245 3.555 4.269 10.533 -0.1588 0.1046 -0.0963
2749MeOH O2 8246 3.430 4.182 10.536 -0.2580 0.2353 -0.4064
2749MeOH H3 8247 3.418 4.146 10.628 0.6877 -1.4946 -0.8964
2750MeOH Me1 8248 4.223 1.711 10.374 0.2132 -0.4335 0.0378
2750MeOH O2 8249 4.212 1.809 10.257 0.4272 0.0122 0.3943
2750MeOH H3 8250 4.123 1.853 10.261 -0.5949 -1.8075 -1.0165
2751MeOH Me1 8251 1.983 0.872 3.385 -0.0621 0.2077 0.2098
2751MeOH O2 8252 2.010 0.842 3.532 -0.2941 -0.3089 0.1470
2751MeOH H3 8253 1.922 0.839 3.580 -0.3433 -0.1240 0.0677
2752MeOH Me1 8254 4.565 1.232 3.055 0.0497 -0.0170 -0.2196
2752MeOH O2 8255 4.560 1.102 2.973 -0.3915 -0.2000 0.0964
2752MeOH H3 8256 4.465 1.075 2.963 -0.3969 -1.0042 1.9014
2753MeOH Me1 8257 3.517 1.621 9.238 -0.3555 -0.0327 0.2075
2753MeOH O2 8258 3.478 1.654 9.382 -0.2909 -0.2561 0.2775
2753MeOH H3 8259 3.550 1.622 9.443 0.0674 0.2769 0.1397
2754MeOH Me1 8260 1.858 0.729 6.725 -0.6106 -0.5487 0.6826
2754MeOH O2 8261 1.844 0.877 6.687 -0.5828 -0.7763 -0.2926
2754MeOH H3 8262 1.755 0.910 6.720 -0.2571 -0.3540 0.1649
2755MeOH Me1 8263 2.382 0.258 8.207 0.5329 0.4464 0.5086
2755MeOH O2 8264 2.402 0.108 8.183 0.3727 0.5680 -0.3114
2755MeOH H3 8265 2.314 0.068 8.156 -0.2485 0.3679 1.8322
2756MeOH Me1 8266 2.575 1.038 1.643 0.1186 0.5170 0.4180
2756MeOH O2 8267 2.705 0.985 1.581 -0.1322 0.5293 -0.1215
2756MeOH H3 8268 2.689 0.969 1.483 -0.4618 0.7683 -0.1088
2757MeOH Me1 8269 4.679 0.522 9.543 -0.5482 -0.2258 -0.2381
2757MeOH O2 8270 4.758 0.401 9.594 0.2504 0.3522 -0.0890
2757MeOH H3 8271 4.754 0.401 9.694 -0.1699 0.1761 -0.1036
2758MeOH Me1 8272 2.695 4.055 3.236 -1.1364 0.4906 -0.1672
2758MeOH O2 8273 2.692 4.081 3.387 0.5368 0.4699 -0.1074
2758MeOH H3 8274 2.599 4.108 3.412 0.7712 0.3185 0.9541
2759MeOH Me1 8275 2.763 0.934 2.942 -0.0984 0.2487 -0.4561
2759MeOH O2 8276 2.694 0.798 2.946 0.2481 0.0766 -0.2593
2759MeOH H3 8277 2.616 0.803 3.008 0.9210 -0.3643 0.6440
2760MeOH Me1 8278 2.361 4.900 9.367 0.1428 0.0653 -0.0585
2760MeOH O2 8279 2.303 4.873 9.228 0.2513 -0.7044 0.0380
2760MeOH H3 8280 2.356 4.925 9.161 -1.8632 1.7974 0.1758
2761MeOH Me1 8281 0.662 3.544 29.744 -0.3970 0.0167 -0.6245
2761MeOH O2 8282 0.654 3.429 29.846 -0.4927 0.4197 -0.1728
2761MeOH H3 8283 0.666 3.467 29.938 -0.8010 0.8174 -0.2931
2762MeOH Me1 8284 4.177 3.427 4.495 -0.4704 -0.2577 -0.0347
2762MeOH O2 8285 4.084 3.548 4.480 0.0892 0.1411 -0.2819
2762MeOH H3 8286 4.101 3.589 4.390 1.7227 1.1022 0.4196
2763MeOH Me1 8287 0.455 0.599 8.408 -0.0351 0.0375 0.1083
2763MeOH O2 8288 0.396 0.528 8.531 0.3647 0.3483 0.4801
2763MeOH H3 8289 0.329 0.589 8.573 1.6102 1.0994 1.4498
2764MeOH Me1 8290 0.188 4.451 1.890 0.8085 -0.3958 0.4304
2764MeOH O2 8291 0.077 4.350 1.919 -0.3204 0.6374 -0.2206
2764MeOH H3 8292 0.005 4.361 1.850 -0.2701 1.9528 -0.0908
2765MeOH Me1 8293 1.838 0.519 1.412 0.4070 -0.4125 -0.1218
2765MeOH O2 8294 1.962 0.584 1.473 0.1589 0.2692 -0.3133
2765MeOH H3 8295 1.987 0.533 1.555 -0.1658 1.1400 0.3516
2766MeOH Me1 8296 1.619 2.031 1.071 -0.6027 -0.0245 -0.2479
2766MeOH O2 8297 1.666 1.987 1.209 -0.5416 -0.2625 -0.3431
2766MeOH H3 8298 1.764 2.006 1.217 -0.7026 0.4847 -0.0609
2767MeOH Me1 8299 0.209 3.616 0.504 -0.5256 0.3920 0.1680
2767MeOH O2 8300 0.349 3.675 0.492 -0.0214 -0.8079 0.0703
2767MeOH H3 8301 0.416 3.600 0.499 -0.6131 -1.2626 0.9663
2768MeOH Me1 8302 3.861 1.371 3.416 -0.1429 -0.5898 0.5127
2768MeOH O2 8303 3.912 1.431 3.285 -0.6639 0.0518 0.5979
2768MeOH H3 8304 3.932 1.528 3.300 -2.7674 0.5628 0.3909
2769MeOH Me1 8305 3.155 3.802 1.423 -0.5024 0.2711 0.0993
2769MeOH O2 8306 3.169 3.837 1.571 0.3205 0.4111 -0.0031
2769MeOH H3 8307 3.198 3.755 1.620 1.8219 0.7720 -0.2557
2770MeOH Me1 8308 1.462 0.631 7.950 0.2817 -0.3640 -0.2145
2770MeOH O2 8309 1.356 0.583 7.850 0.2698 -0.5305 -0.1225
2770MeOH H3 8310 1.400 0.519 7.786 -0.0277 -1.6625 0.7755
2771MeOH Me1 8311 2.959 1.530 29.679 0.0059 -0.1277 0.2238
2771MeOH O2 8312 2.985 1.397 29.750 0.3352 0.0995 0.5008
2771MeOH H3 8313 2.946 1.324 29.695 -1.9441 0.1086 1.9757
2772MeOH Me1 8314 3.370 1.654 6.258 0.1570 0.7587 0.1122
2772MeOH O2 8315 3.418 1.791 6.306 0.7218 0.3935 0.6121
2772MeOH H3 8316 3.399 1.799 6.404 -0.2080 0.5073 0.4375
2773MeOH Me1 8317 2.928 1.975 6.159 -0.5241 -0.0597 -0.4201
2773MeOH O2 8318 2.941 2.077 6.272 0.2120 0.0539 -0.6034
2773MeOH H3 8319 2.937 2.029 6.360 -1.8914 0.3935 -0.4722
2774MeOH Me1 8320 0.336 4.138 1.940 -0.0469 0.4955 0.0998
2774MeOH O2 8321 0.480 4.150 1.892 -0.0712 0.3536 -0.0068
2774MeOH H3 8322 0.506 4.064 1.847 -0.4311 0.5926 -0.6879
2775MeOH Me1 8323 2.940 4.816 8.839 0.4376 0.3205 -0.0250
2775MeOH O2 8324 2.850 4.922 8.777 -0.1815 -0.0369 0.2540
2775MeOH H3 8325 2.825 4.893 8.684 -0.8680 -0.4293 0.5499
2776MeOH Me1 8326 2.859 0.054 1.669 0.0542 0.2733 -0.0487
2776MeOH O2 8327 2.721 0.049 1.733 0.1985 0.0597 0.2468
2776MeOH H3 8328 2.722 -0.020 1.806 -0.1777 -1.5642 -1.2294
2777MeOH Me1 8329 1.040 4.226 3.204 -0.2216 -0.2234 0.1180
2777MeOH O2 8330 1.132 4.337 3.154 0.1370 -0.2142 0.7862
2777MeOH H3 8331 1.081 4.394 3.089 -0.8937 2.5378 3.7637
2778MeOH Me1 8332 4.880 0.679 4.368 0.2622 0.3255 0.1817
2778MeOH O2 8333 5.027 0.640 4.359 0.1979 0.0968 0.1177
2778MeOH H3 8334 5.060 0.662 4.267 0.2677 0.3097 0.1937
2779MeOH Me1 8335 3.053 2.140 11.115 0.2143 0.4709 -0.3459
2779MeOH O2 8336 2.996 2.144 10.973 -0.5072 0.2358 -0.0702
2779MeOH H3 8337 3.071 2.165 10.910 -0.4385 -1.6886 -0.6883
2780MeOH Me1 8338 1.531 4.302 0.807 -0.7157 -0.6104 0.1201
2780MeOH O2 8339 1.638 4.193 0.825 0.0897 0.1824 0.2187
2780MeOH H3 8340 1.629 4.154 0.917 -0.9597 -1.1769 -0.4184
2781MeOH Me1 8341 3.974 4.808 5.619 -0.3290 0.1961 -0.9582
2781MeOH O2 8342 4.088 4.909 5.633 -0.2095 -0.0559 0.0148
2781MeOH H3 8343 4.148 4.900 5.553 -0.9230 1.4907 -0.7472
2782MeOH Me1 8344 4.323 4.688 1.274 0.2212 0.4601 -0.5513
2782MeOH O2 8345 4.465 4.744 1.290 0.6121 -0.5041 -0.5929
2782MeOH H3 8346 4.522 4.673 1.331 -0.0584 -0.6383 0.1370
2783MeOH Me1 8347 3.352 1.057 6.566 0.4307 -0.0075 0.0285
2783MeOH O2 8348 3.500 1.073 6.601 0.5348 -0.1467 -0.3429
2783MeOH H3 8349 3.541 0.982 6.609 1.1739 -0.2127 -3.3411
2784MeOH Me1 8350 0.193 0.841 0.977 0.2700 0.2199 0.6938
2784MeOH O2 8351 0.271 0.765 0.870 -0.1433 0.2581 0.3621
2784MeOH H3 8352 0.303 0.678 0.909 0.2429 0.3663 0.2954
2785MeOH Me1 8353 0.119 1.402 4.157 -0.1884 0.1763 -0.1165
2785MeOH O2 8354 0.096 1.427 4.007 0.0235 -0.1144 -0.1981
2785MeOH H3 8355 0.057 1.518 3.996 2.1523 0.8078 -0.5946
2786MeOH Me1 8356 4.942 0.597 3.068 -0.0023 -0.5216 -0.2544
2786MeOH O2 8357 4.902 0.632 2.924 0.1838 -0.4128 -0.2795
2786MeOH H3 8358 4.825 0.696 2.928 -0.2190 -0.8869 -0.3343
2787MeOH Me1 8359 4.780 0.351 2.703 0.5261 0.2365 0.1309
2787MeOH O2 8360 4.870 0.369 2.826 0.3553 -0.3588 0.3477
2787MeOH H3 8361 4.870 0.465 2.852 -1.2657 -0.7489 2.0281
2788MeOH Me1 8362 0.584 1.686 6.632 0.0558 -0.4718 0.2890
2788MeOH O2 8363 0.661 1.621 6.747 0.0862 -0.0900 0.4851
2788MeOH H3 8364 0.601 1.614 6.826 0.0545 0.0174 0.4698
2789MeOH Me1 8365 2.728 1.216 5.519 -0.2171 -0.2383 -0.6116
2789MeOH O2 8366 2.580 1.221 5.479 -0.2814 -0.2923 -0.3807
2789MeOH H3 8367 2.535 1.138 5.511 0.1895 -1.1217 -1.7843
2790MeOH Me1 8368 2.148 1.630 10.226 -0.1817 -0.1502 0.3232
2790MeOH O2 8369 2.294 1.608 10.265 0.0562 -0.5822 -0.7655
2790MeOH H3 8370 2.322 1.518 10.231 -1.0810 -1.5626 0.7229
2791MeOH Me1 8371 4.443 1.930 1.272 0.5359 -0.1396 0.2800
2791MeOH O2 8372 4.296 1.971 1.277 0.3766 -0.6938 0.1218
2791MeOH H3 8373 4.281 2.045 1.211 -0.2852 -2.1691 -1.4818
2792MeOH Me1 8374 2.221 0.625 6.839 0.3809 0.3031 0.3591
2792MeOH O2 8375 2.301 0.553 6.731 -0.0535 0.1757 0.1184
2792MeOH H3 8376 2.397 0.550 6.760 -0.3708 -2.5693 1.2769
2793MeOH Me1 8377 1.754 4.424 7.617 -0.0307 -0.2135 -0.4561
2793MeOH O2 8378 1.671 4.514 7.526 -0.0500 0.4908 0.2509
2793MeOH H3 8379 1.576 4.511 7.557 -0.1868 -0.3798 -0.2353
2794MeOH Me1 8380 2.715 1.500 1.744 -0.6343 -0.2872 -0.0625
2794MeOH O2 8381 2.602 1.507 1.641 -0.2016 -0.5688 -0.5537
2794MeOH H3 8382 2.611 1.593 1.590 -2.1938 1.2312 1.8597
2795MeOH Me1 8383 1.052 4.129 0.755 0.0308 -0.4257 0.0052
2795MeOH O2 8384 0.932 4.131 0.850 0.0520 0.1228 0.0242
2795MeOH H3 8385 0.965 4.125 0.944 0.0228 -0.3838 0.0027
2796MeOH Me1 8386 2.841 1.712 9.854 0.3266 0.5061 -0.4810
2796MeOH O2 8387 2.903 1.812 9.952 1.2454 -0.2193 -0.2976
2796MeOH H3 8388 2.829 1.866 9.993 1.6384 -0.3238 0.5909
2797MeOH Me1 8389 1.020 2.365 6.776 0.2161 -0.0414 0.0416
2797MeOH O2 8390 0.945 2.496 6.748 -0.5622 -0.4621 0.1277
2797MeOH H3 8391 1.012 2.570 6.745 -0.4744 -0.5477 -3.5061
2798MeOH Me1 8392 4.881 0.067 6.404 0.7297 0.5212 0.2301
2798MeOH O2 8393 4.897 0.079 6.252 0.0934 0.0020 0.1175
2798MeOH H3 8394 4.874 -0.010 6.211 0.8783 -0.4410 0.6016
2799MeOH Me1 8395 1.235 2.287 0.804 0.4495 -0.7019 -0.4689
2799MeOH O2 8396 1.351 2.344 0.886 0.1751 -0.6200 -0.1331
2799MeOH H3 8397 1.388 2.423 0.836 -0.1020 -0.2409 0.2507
2800MeOH Me1 8398 3.930 3.003 3.650 0.6941 -0.5192 -0.1069
2800MeOH O2 8399 3.849 2.994 3.780 0.3328 0.8829 -0.2121
2800MeOH H3 8400 3.904 2.946 3.848 -1.2231 -1.8302 -0.7097
2801MeOH Me1 8401 -0.072 3.554 7.578 0.3565 0.4203 -0.0211
2801MeOH O2 8402 0.044 3.455 7.579 0.0491 0.0524 -0.3482
2801MeOH H3 8403 0.130 3.507 7.575 0.2390 -0.1490 0.9255
2802MeOH Me1 8404 1.507 2.105 3.987 -0.0579 -0.6009 -0.1701
2802MeOH O2 8405 1.580 2.187 4.094 -0.4080 -0.2776 -0.1770
2802MeOH H3 8406 1.659 2.231 4.052 0.1692 -1.0189 0.1132
2803MeOH Me1 8407 3.647 4.422 9.567 0.6375 0.3230 -0.4901
2803MeOH O2 8408 3.608 4.407 9.714 -0.0457 -0.5597 -0.7512
2803MeOH H3 8409 3.691 4.417 9.770 -0.3816 -0.3808 -0.2795
2804MeOH Me1 8410 1.326 1.548 3.796 0.7938 -0.0354 0.0497
2804MeOH O2 8411 1.419 1.669 3.812 0.0026 0.4840 0.7792
2804MeOH H3 8412 1.363 1.750 3.831 -0.5488 0.0518 1.0156
2805MeOH Me1 8413 3.449 1.270 2.949 0.6057 -0.5743 0.0092
2805MeOH O2 8414 3.431 1.294 2.799 0.1157 -0.8341 0.0239
2805MeOH H3 8415 3.521 1.314 2.759 -0.1615 0.1970 -0.1104
2806MeOH Me1 8416 1.004 3.897 2.823 -0.2199 0.4750 0.7399
2806MeOH O2 8417 0.884 3.838 2.749 0.4305 -0.1020 0.1259
2806MeOH H3 8418 0.881 3.740 2.767 0.2884 0.0312 0.8665
2807MeOH Me1 8419 2.442 1.095 8.910 -0.0106 -0.6945 0.2578
2807MeOH O2 8420 2.594 1.090 8.897 -0.0103 -0.0252 0.0076
2807MeOH H3 8421 2.632 1.055 8.982 0.2283 -0.6687 -0.3567
2808MeOH Me1 8422 4.615 1.346 4.940 0.2590 -0.3141 0.1510
2808MeOH O2 8423 4.609 1.433 5.065 0.4050 0.2272 -0.2161
2808MeOH H3 8424 4.702 1.447 5.099 0.4309 0.2462 -0.2936
2809MeOH Me1 8425 1.645 1.984 8.533 -0.1432 -0.0739 0.0053
2809MeOH O2 8426 1.739 2.039 8.426 0.3922 -0.2651 0.3780
2809MeOH H3 8427 1.713 2.001 8.337 0.4816 0.0150 0.2287
2810MeOH Me1 8428 4.513 3.014 5.101 -0.1720 0.4324 -0.3444
2810MeOH O2 8429 4.495 2.864 5.124 0.1075 0.4338 -0.1186
2810MeOH H3 8430 4.530 2.815 5.044 -1.2317 0.4456 -0.7365
2811MeOH Me1 8431 3.162 1.561 7.569 -0.2284 0.0722 0.0365
2811MeOH O2 8432 3.092 1.661 7.477 -0.1348 0.0116 -0.0986
2811MeOH H3 8433 3.121 1.643 7.383 -0.7227 -0.6448 -0.1654
2812MeOH Me1 8434 0.486 1.086 3.325 0.0151 -0.3286 0.1459
2812MeOH O2 8435 0.442 1.095 3.179 0.4250 -0.6194 0.0011
2812MeOH H3 8436 0.366 1.160 3.173 0.8581 -0.1467 -0.4382
2813MeOH Me1 8437 0.606 3.496 4.888 0.3488 0.2595 -0.0526
2813MeOH O2 8438 0.718 3.393 4.892 0.3153 0.2344 0.2902
2813MeOH H3 8439 0.678 3.302 4.905 0.2649 0.2594 0.3057
2814MeOH Me1 8440 3.796 4.224 2.681 -0.2454 0.7317 -0.1389
2814MeOH O2 8441 3.815 4.325 2.795 -0.7228 0.0138 0.5841
2814MeOH H3 8442 3.857 4.278 2.872 -0.9819 -0.4606 0.4424
2815MeOH Me1 8443 0.129 2.799 2.254 0.3349 0.3320 -0.4127
2815MeOH O2 8444 0.035 2.909 2.203 -0.3857 -0.0541 0.0779
2815MeOH H3 8445 0.090 2.988 2.177 -0.8054 0.0187 -0.6164
2816MeOH Me1 8446 1.269 1.427 5.769 0.1768 -0.2715 0.2745
2816MeOH O2 8447 1.332 1.562 5.803 0.0536 -0.0728 -0.2792
2816MeOH H3 8448 1.329 1.620 5.721 -2.2572 0.4728 0.1156
2817MeOH Me1 8449 4.820 1.868 5.140 -0.3017 -0.3286 0.0417
2817MeOH O2 8450 4.914 1.948 5.051 0.4087 -0.4674 0.6561
2817MeOH H3 8451 4.992 1.978 5.106 0.3756 -1.0634 1.0313
2818MeOH Me1 8452 3.675 1.605 7.398 0.1247 0.3389 0.2451
2818MeOH O2 8453 3.546 1.562 7.469 0.0828 -0.4850 -0.2927
2818MeOH H3 8454 3.496 1.645 7.497 0.6426 -0.7466 1.6414
2819MeOH Me1 8455 5.031 3.580 8.377 -0.1166 -0.0102 0.1884
2819MeOH O2 8456 5.008 3.553 8.526 -0.2635 0.4285 0.2451
2819MeOH H3 8457 4.960 3.632 8.565 -1.6114 -0.0430 -0.3599
2820MeOH Me1 8458 1.523 3.882 9.714 -0.0353 0.0540 -0.1423
2820MeOH O2 8459 1.577 3.777 9.811 -0.1925 -0.2880 -0.4225
2820MeOH H3 8460 1.537 3.689 9.788 0.2466 -0.3107 -1.1310
2821MeOH Me1 8461 2.389 4.497 3.584 0.5267 -0.3083 0.2225
2821MeOH O2 8462 2.403 4.360 3.649 0.7115 -0.3548 0.0868
2821MeOH H3 8463 2.425 4.372 3.746 -0.9797 -0.3868 0.5071
2822MeOH Me1 8464 2.814 2.357 7.297 -0.1897 -0.3219 0.3150
2822MeOH O2 8465 2.690 2.370 7.208 0.1005 -0.0662 -0.0542
2822MeOH H3 8466 2.613 2.324 7.253 -0.4661 1.2249 0.3666
2823MeOH Me1 8467 1.017 0.601 3.206 -0.8159 -0.0558 -0.1925
2823MeOH O2 8468 1.076 0.710 3.117 0.0739 -0.1966 0.2170
2823MeOH H3 8469 1.139 0.765 3.172 0.1033 -0.5732 0.5649
2824MeOH Me1 8470 2.145 4.294 23.065 0.0298 0.6251 -0.3548
2824MeOH O2 8471 2.101 4.289 22.918 -0.4357 0.0985 -0.1931
2824MeOH H3 8472 2.156 4.354 22.866 -1.9096 1.3639 -0.2592
2825MeOH Me1 8473 2.084 3.130 6.500 0.4268 0.0539 0.7641
2825MeOH O2 8474 2.185 3.197 6.593 0.6771 -0.0845 0.5906
2825MeOH H3 8475 2.240 3.261 6.539 -1.1774 1.9433 0.9910
2826MeOH Me1 8476 0.907 0.176 8.739 -0.6393 0.8220 -0.5386
2826MeOH O2 8477 0.979 0.125 8.614 -0.3865 0.2148 -0.1515
2826MeOH H3 8478 1.042 0.053 8.642 -3.0064 -2.2566 -0.0981
2827MeOH Me1 8479 3.468 2.848 2.542 0.3626 0.1459 0.2488
2827MeOH O2 8480 3.453 3.000 2.531 0.6057 0.1452 -0.1420
2827MeOH H3 8481 3.497 3.042 2.611 1.3414 0.3243 -0.6350
2828MeOH Me1 8482 2.161 0.783 5.927 0.0836 -0.4013 -0.4403
2828MeOH O2 8483 2.249 0.908 5.942 -0.6185 0.0379 0.0685
2828MeOH H3 8484 2.217 0.959 6.021 -0.3956 -0.8911 0.7800
2829MeOH Me1 8485 1.272 4.691 6.309 0.3597 0.0251 -0.3349
2829MeOH O2 8486 1.333 4.709 6.448 0.0590 -0.1889 -0.1728
2829MeOH H3 8487 1.330 4.622 6.496 -0.0725 -0.2559 -0.3033
2830MeOH Me1 8488 1.947 2.215 0.458 0.2040 -0.2094 0.1506
2830MeOH O2 8489 1.919 2.270 0.318 0.4323 -0.6794 -0.0808
2830MeOH H3 8490 1.857 2.347 0.326 1.5868 0.3053 -0.2958
2831MeOH Me1 8491 0.212 3.337 7.962 -0.0220 -0.0639 -0.0844
2831MeOH O2 8492 0.231 3.405 8.097 0.1314 0.6320 -0.4513
2831MeOH H3 8493 0.251 3.335 8.166 4.6371 1.2708 -0.8500
2832MeOH Me1 8494 4.856 2.526 7.507 -0.1363 -0.2307 0.1469
2832MeOH O2 8495 4.745 2.614 7.449 0.0808 -0.1555 -0.1573
2832MeOH H3 8496 4.705 2.568 7.370 1.7167 0.8147 -1.6384
2833MeOH Me1 8497 3.205 4.013 7.598 -0.5134 -0.3626 0.3860
2833MeOH O2 8498 3.323 3.921 7.562 -0.4469 0.1413 -0.7073
2833MeOH H3 8499 3.354 3.876 7.645 1.4202 1.3074 -0.7217
2834MeOH Me1 8500 1.900 2.484 7.597 0.5349 0.0250 -0.0225
2834MeOH O2 8501 1.907 2.633 7.630 -0.5273 0.1100 -0.1422
2834MeOH H3 8502 1.989 2.671 7.587 0.6761 0.0830 2.0113
2835MeOH Me1 8503 0.556 2.359 7.604 0.4394 -0.7755 0.0107
2835MeOH O2 8504 0.614 2.380 7.744 -0.1911 0.7848 0.0749
2835MeOH H3 8505 0.581 2.306 7.803 0.1830 0.9828 0.5322
2836MeOH Me1 8506 4.289 4.209 1.616 0.0537 -0.3975 -0.1926
2836MeOH O2 8507 4.376 4.146 1.507 0.2807 -0.3091 -0.0618
2836MeOH H3 8508 4.464 4.122 1.548 -0.2475 -1.5116 0.4309
2837MeOH Me1 8509 2.594 4.721 4.037 -0.3528 -0.2064 0.5061
2837MeOH O2 8510 2.500 4.667 3.928 0.1422 -0.3021 0.1205
2837MeOH H3 8511 2.515 4.719 3.844 0.2468 -0.1136 0.2555
2838MeOH Me1 8512 0.716 1.633 2.989 0.3464 -0.4197 0.3579
2838MeOH O2 8513 0.854 1.582 2.948 0.2462 -0.3539 -0.0648
2838MeOH H3 8514 0.852 1.559 2.851 0.0838 0.0637 -0.1633
2839MeOH Me1 8515 0.288 0.736 4.427 -0.1528 0.3435 0.0536
2839MeOH O2 8516 0.311 0.872 4.361 -0.5851 0.2247 -0.3486
2839MeOH H3 8517 0.360 0.931 4.425 -1.7303 0.9405 -0.1015
2840MeOH Me1 8518 4.349 3.088 29.773 0.5403 0.0494 -0.1768
2840MeOH O2 8519 4.423 3.009 29.882 0.3879 0.0644 -0.0628
2840MeOH H3 8520 4.512 2.982 29.846 -0.1798 -1.2951 -0.4982
2841MeOH Me1 8521 1.363 4.148 2.556 0.1255 0.2764 -0.5818
2841MeOH O2 8522 1.515 4.130 2.565 0.1707 0.6867 -0.5156
2841MeOH H3 8523 1.538 4.105 2.659 0.1259 0.0951 -0.6560
2842MeOH Me1 8524 0.918 2.479 1.721 0.0695 0.3742 0.1297
2842MeOH O2 8525 0.976 2.350 1.663 -0.3480 0.0410 0.4469
2842MeOH H3 8526 1.059 2.372 1.612 -0.0978 -0.3817 0.6563
2843MeOH Me1 8527 1.057 3.570 5.593 0.0729 0.1689 -0.0374
2843MeOH O2 8528 0.912 3.604 5.557 0.0972 0.0302 -0.2715
2843MeOH H3 8529 0.852 3.535 5.599 0.1654 -0.6927 -1.3125
2844MeOH Me1 8530 1.689 4.399 6.285 0.2457 0.1363 0.0679
2844MeOH O2 8531 1.641 4.254 6.273 -0.2071 0.3204 -0.3793
2844MeOH H3 8532 1.642 4.228 6.176 0.2080 0.4459 -0.4069
2845MeOH Me1 8533 0.312 0.879 29.822 0.6007 0.3600 0.0766
2845MeOH O2 8534 0.427 0.904 29.920 0.5780 0.3280 0.1107
2845MeOH H3 8535 0.416 0.995 29.959 -1.3531 -0.8787 2.7087
2846MeOH Me1 8536 1.385 1.159 10.637 -0.8249 0.0368 0.5175
2846MeOH O2 8537 1.250 1.163 10.564 -0.6115 -0.3202 0.0960
2846MeOH H3 8538 1.265 1.194 10.470 -0.3348 -0.7798 -0.0096
2847MeOH Me1 8539 1.350 2.141 6.868 -0.7695 0.4625 0.5126
2847MeOH O2 8540 1.443 2.234 6.945 -0.1485 0.6083 -0.3955
2847MeOH H3 8541 1.397 2.262 7.029 1.5356 -1.4084 1.3031
2848MeOH Me1 8542 3.360 0.367 5.114 0.5883 0.7605 0.8865
2848MeOH O2 8543 3.360 0.253 5.216 -0.0239 -0.4951 -0.4862
2848MeOH H3 8544 3.455 0.232 5.240 -0.2054 0.4303 1.1356
2849MeOH Me1 8545 3.295 2.327 1.085 0.2096 -0.0265 -0.0105
2849MeOH O2 8546 3.209 2.212 1.137 -0.2129 -0.0652 -0.7767
2849MeOH H3 8547 3.113 2.240 1.136 -0.0991 0.3298 -0.4979
2850MeOH Me1 8548 2.271 4.701 5.791 -0.1301 0.1428 -0.0876
2850MeOH O2 8549 2.147 4.620 5.753 -0.1510 -0.0250 0.3285
2850MeOH H3 8550 2.175 4.544 5.695 -0.2803 0.2334 -0.0835
2851MeOH Me1 8551 1.055 2.441 7.491 -0.2006 0.1458 0.3355
2851MeOH O2 8552 1.085 2.514 7.623 0.2639 0.6854 -0.0666
2851MeOH H3 8553 0.999 2.532 7.670 0.5063 -0.2878 0.7809
2852MeOH Me1 8554 4.923 4.517 29.373 0.0180 0.3428 0.6654
2852MeOH O2 8555 4.849 4.384 29.383 0.2036 0.1539 -0.4290
2852MeOH H3 8556 4.751 4.401 29.376 0.2348 -0.1569 -2.5317
2853MeOH Me1 8557 4.948 1.508 29.967 -0.0002 0.3328 -0.2996
2853MeOH O2 8558 4.866 1.487 29.840 0.2319 -0.1861 -0.3657
2853MeOH H3 8559 4.770 1.508 29.860 -0.4587 -3.5368 0.3345
2854MeOH Me1 8560 4.243 4.433 2.961 0.1746 -0.0479 -0.0491
2854MeOH O2 8561 4.216 4.390 3.105 0.0379 0.2184 0.0053
2854MeOH H3 8562 4.190 4.471 3.159 1.2079 0.5273 0.1221
2855MeOH Me1 8563 2.189 1.072 5.330 0.0254 -0.4067 -0.0231
2855MeOH O2 8564 2.139 0.931 5.296 -0.3426 -0.0754 -0.8964
2855MeOH H3 8565 2.131 0.879 5.382 1.0905 -1.1050 -1.3430
2856MeOH Me1 8566 2.367 2.049 2.135 0.3612 -0.6822 -0.0865
2856MeOH O2 8567 2.269 1.950 2.073 -0.4138 0.0341 -0.0238
2856MeOH H3 8568 2.184 1.952 2.126 -0.0644 0.0490 0.5434
2857MeOH Me1 8569 3.929 2.900 2.403 0.0014 -0.3147 0.2411
2857MeOH O2 8570 3.958 2.764 2.467 -0.2593 -0.3076 0.3789
2857MeOH H3 8571 3.896 2.696 2.428 -0.6697 -0.1457 0.7536
2858MeOH Me1 8572 1.017 0.730 29.949 0.0278 -0.2486 0.0464
2858MeOH O2 8573 0.896 0.639 29.926 -0.4312 0.2659 0.4017
2858MeOH H3 8574 0.813 0.695 29.930 -0.1134 0.8311 -0.5169
2859MeOH Me1 8575 2.476 2.366 6.871 -0.3560 -0.2041 -0.2852
2859MeOH O2 8576 2.546 2.469 6.959 -0.2368 -0.5106 -0.0161
2859MeOH H3 8577 2.619 2.424 7.010 -0.0315 -0.6477 -0.4324
2860MeOH Me1 8578 2.114 3.780 7.937 -0.7333 0.4266 -0.3959
2860MeOH O2 8579 2.226 3.810 7.837 -0.0901 -0.1166 0.1472
2860MeOH H3 8580 2.200 3.772 7.748 -0.0107 0.3310 -0.0683
2861MeOH Me1 8581 1.970 0.841 0.098 0.0605 -0.3816 -0.6486
2861MeOH O2 8582 1.959 0.738 0.211 -0.2020 -0.5001 -0.7812
2861MeOH H3 8583 1.866 0.701 0.211 -0.4882 0.2015 -0.4268
2862MeOH Me1 8584 3.863 0.135 8.014 0.0215 0.3498 0.4567
2862MeOH O2 8585 3.902 0.269 7.952 0.2782 -0.2615 -0.7512
2862MeOH H3 8586 3.851 0.341 8.000 -1.2791 0.1150 -2.8180
2863MeOH Me1 8587 4.748 0.413 10.647 0.1192 -0.3861 -0.3110
2863MeOH O2 8588 4.899 0.412 10.673 0.1937 0.0652 -0.7176
2863MeOH H3 8589 4.915 0.434 10.769 0.3110 -1.2210 -0.4223
2864MeOH Me1 8590 0.883 1.915 0.254 0.3045 0.4315 -0.4539
2864MeOH O2 8591 0.763 1.993 0.199 -0.3811 0.0303 0.4352
2864MeOH H3 8592 0.692 1.996 0.269 -1.0346 -2.6823 -0.0223
2865MeOH Me1 8593 2.608 0.583 7.161 0.1887 -0.3866 -0.1228
2865MeOH O2 8594 2.555 0.482 7.060 0.0954 -0.4721 0.0187
2865MeOH H3 8595 2.566 0.520 6.968 -0.5123 -0.3143 0.0056
2866MeOH Me1 8596 3.049 1.566 0.475 -0.0461 -0.7670 0.5570
2866MeOH O2 8597 2.974 1.516 0.351 -0.1554 -0.1528 0.3725
2866MeOH H3 8598 3.032 1.449 0.305 -1.1815 -1.7402 1.3288
2867MeOH Me1 8599 2.107 0.335 4.218 0.3115 -0.5192 0.0716
2867MeOH O2 8600 2.233 0.335 4.305 0.2931 0.1786 0.1035
2867MeOH H3 8601 2.282 0.421 4.289 -0.4175 0.6637 0.4712
2868MeOH Me1 8602 0.579 4.305 3.055 -0.7342 -0.8300 0.1765
2868MeOH O2 8603 0.548 4.371 2.921 0.2135 -0.4556 0.1309
2868MeOH H3 8604 0.597 4.321 2.849 0.5925 -0.3558 0.3171
2869MeOH Me1 8605 3.764 3.946 6.880 -0.4202 -0.3900 -0.4732
2869MeOH O2 8606 3.881 3.938 6.782 -0.1532 0.2774 -0.2110
2869MeOH H3 8607 3.927 3.850 6.795 0.4168 0.5999 -0.0145
2870MeOH Me1 8608 2.275 2.401 5.991 0.1246 -0.0373 -0.1551
2870MeOH O2 8609 2.426 2.409 5.964 0.2194 -0.3214 0.2756
2870MeOH H3 8610 2.452 2.506 5.960 0.5001 -0.3676 0.8033
2871MeOH Me1 8611 2.266 0.644 0.747 0.2067 0.5493 -0.0778
2871MeOH O2 8612 2.294 0.708 0.610 0.2373 -0.1512 -0.4041
2871MeOH H3 8613 2.206 0.729 0.567 0.1884 -2.2948 -1.4720
2872MeOH Me1 8614 3.946 1.133 0.397 0.5110 0.2927 0.4616
2872MeOH O2 8615 3.862 1.005 0.387 0.1663 0.5769 -0.3213
2872MeOH H3 8616 3.916 0.929 0.423 0.1536 0.1179 -1.2594
2873MeOH Me1 8617 2.305 4.312 3.189 -0.1412 -1.0796 -0.2012
2873MeOH O2 8618 2.396 4.269 3.073 0.1096 -0.3068 -0.2999
2873MeOH H3 8619 2.340 4.219 3.007 0.2839 0.0050 -0.6834
2874MeOH Me1 8620 2.639 3.952 7.015 -0.1984 0.6601 0.3589
2874MeOH O2 8621 2.760 3.861 6.997 -0.2629 0.4732 0.8748
2874MeOH H3 8622 2.737 3.789 6.932 0.1284 0.9161 0.2399
2875MeOH Me1 8623 2.027 0.953 0.520 0.4633 -1.1138 0.3642
2875MeOH O2 8624 2.074 0.819 0.462 -0.0106 -0.9762 -0.3891
2875MeOH H3 8625 2.030 0.806 0.373 -0.4623 -0.5565 -0.2313
2876MeOH Me1 8626 4.874 2.295 29.848 -0.1557 0.2863 0.0749
2876MeOH O2 8627 4.757 2.352 29.928 -0.4637 -0.5317 0.2107
2876MeOH H3 8628 4.673 2.304 29.900 -0.2087 -0.9080 0.0918
2877MeOH Me1 8629 0.937 1.022 4.589 -0.6234 0.5084 0.1505
2877MeOH O2 8630 0.848 0.898 4.599 -0.1931 0.2224 0.4757
2877MeOH H3 8631 0.897 0.827 4.649 0.0868 0.4935 0.5845
2878MeOH Me1 8632 0.537 1.359 2.336 -0.5012 0.0779 -0.0959
2878MeOH O2 8633 0.419 1.429 2.269 -0.3339 0.2309 -0.2297
2878MeOH H3 8634 0.338 1.373 2.281 -0.5641 0.6673 0.2736
2879MeOH Me1 8635 1.452 0.324 6.204 -0.2389 0.3334 -0.0681
2879MeOH O2 8636 1.359 0.439 6.164 -0.4009 0.3949 0.4994
2879MeOH H3 8637 1.378 0.518 6.223 2.3377 1.5138 -1.6643
2880MeOH Me1 8638 3.625 2.049 10.037 -0.1228 -0.1338 0.0317
2880MeOH O2 8639 3.710 2.149 9.959 -0.1567 -0.5721 -0.5680
2880MeOH H3 8640 3.805 2.138 9.986 -0.2688 0.2493 0.1805
2881MeOH Me1 8641 0.418 1.435 10.111 -0.2548 -0.2962 -0.5475
2881MeOH O2 8642 0.558 1.376 10.094 -0.2914 -0.3578 -0.7302
2881MeOH H3 8643 0.584 1.382 9.997 -0.7992 -1.1950 -0.9306
2882MeOH Me1 8644 2.810 2.193 10.036 -0.6011 0.4742 0.2563
2882MeOH O2 8645 2.775 2.292 9.924 0.2180 -0.2267 -0.6396
2882MeOH H3 8646 2.754 2.381 9.965 -0.7050 -0.1231 -1.2927
2883MeOH Me1 8647 4.537 3.762 9.526 0.0540 -0.2245 0.0107
2883MeOH O2 8648 4.505 3.864 9.635 0.2304 -0.2628 0.0989
2883MeOH H3 8649 4.415 3.844 9.672 -0.5128 0.8518 -1.0515
2884MeOH Me1 8650 0.572 3.931 10.649 -0.0725 0.6426 -0.2074
2884MeOH O2 8651 0.624 3.945 10.506 -0.3314 -0.6359 -0.4410
2884MeOH H3 8652 0.723 3.929 10.506 -0.0943 0.7046 -0.2314
2885MeOH Me1 8653 3.834 1.532 8.161 0.1874 -0.3308 0.5348
2885MeOH O2 8654 3.837 1.625 8.283 -0.7281 0.1514 0.1945
2885MeOH H3 8655 3.856 1.570 8.364 2.1232 0.8942 0.1146
2886MeOH Me1 8656 2.353 3.844 6.012 -0.1831 0.7438 -0.4968
2886MeOH O2 8657 2.300 3.727 5.929 -0.2406 0.6450 -0.3213
2886MeOH H3 8658 2.331 3.738 5.835 -2.6077 2.0428 -1.0105
2887MeOH Me1 8659 1.160 1.001 6.587 0.4642 -0.0486 -0.0436
2887MeOH O2 8660 1.070 1.102 6.516 0.3436 -0.1022 0.0329
2887MeOH H3 8661 1.052 1.068 6.424 0.0087 -0.2790 0.1630
2888MeOH Me1 8662 2.239 2.686 10.952 0.5250 -0.0605 -0.8617
2888MeOH O2 8663 2.380 2.693 11.010 0.0635 -0.3696 0.3204
2888MeOH H3 8664 2.434 2.619 10.969 0.3021 -0.3374 0.5727
2889MeOH Me1 8665 1.150 4.202 4.746 0.1804 0.7514 -0.5105
2889MeOH O2 8666 1.131 4.205 4.594 -0.1211 0.4198 -0.4810
2889MeOH H3 8667 1.220 4.221 4.552 0.1113 -1.4230 -0.7823
2890MeOH Me1 8668 0.678 0.853 9.876 -0.0650 0.7441 -0.1387
2890MeOH O2 8669 0.633 0.759 9.988 0.8618 0.8202 0.3070
2890MeOH H3 8670 0.679 0.787 10.073 -1.5004 3.5309 0.8588
2891MeOH Me1 8671 3.837 0.548 8.597 0.2936 0.3261 -0.2989
2891MeOH O2 8672 3.895 0.443 8.692 -0.1712 0.0440 -0.3268
2891MeOH H3 8673 3.862 0.353 8.664 -0.7741 0.2192 -0.1992
2892MeOH Me1 8674 3.572 1.888 2.602 -0.3014 0.2601 -0.1766
2892MeOH O2 8675 3.484 1.769 2.641 0.6718 -0.3437 0.2198
2892MeOH H3 8676 3.539 1.705 2.694 1.3689 -0.0105 -0.0819
2893MeOH Me1 8677 2.928 0.860 29.906 0.2364 -0.1203 -0.0571
2893MeOH O2 8678 2.932 1.011 29.885 -0.3578 -0.1282 -0.2443
2893MeOH H3 8679 3.028 1.041 29.886 -0.4520 0.1958 -0.6555
2894MeOH Me1 8680 2.828 5.012 5.420 0.2894 -0.3169 0.0005
2894MeOH O2 8681 2.717 4.958 5.511 0.3444 0.3557 0.4561
2894MeOH H3 8682 2.643 4.924 5.454 -0.5669 1.6936 0.7877
2895MeOH Me1 8683 4.951 3.982 8.161 0.2663 0.3985 -0.0661
2895MeOH O2 8684 5.026 3.855 8.120 -0.4807 -0.0943 0.0722
2895MeOH H3 8685 4.960 3.789 8.085 -0.8078 0.4734 -0.4002
2896MeOH Me1 8686 2.877 2.316 2.698 0.1604 -0.7020 0.7638
2896MeOH O2 8687 2.821 2.201 2.613 0.6592 -0.2224 -0.2238
2896MeOH H3 8688 2.861 2.116 2.645 -1.1248 -0.6558 0.9527
2897MeOH Me1 8689 0.196 2.761 0.706 -0.2364 0.2551 0.5524
2897MeOH O2 8690 0.046 2.779 0.681 -0.1041 0.4909 -0.1005
2897MeOH H3 8691 0.011 2.694 0.641 -0.0117 0.6512 -0.5333
2898MeOH Me1 8692 2.860 4.102 0.533 -0.5494 0.0592 -0.0282
2898MeOH O2 8693 2.728 4.096 0.455 -0.3298 -0.3836 -0.3649
2898MeOH H3 8694 2.704 4.188 0.425 -1.2757 -0.2456 0.7698
2899MeOH Me1 8695 2.958 2.915 1.366 -0.3783 -0.1133 -0.0409
2899MeOH O2 8696 3.000 2.870 1.506 -0.0989 0.4980 0.0784
2899MeOH H3 8697 2.985 2.771 1.513 -1.0856 0.6823 0.8855
2900MeOH Me1 8698 4.884 0.525 22.272 -0.2397 -0.3266 0.3229
2900MeOH O2 8699 5.034 0.501 22.284 -0.2451 -0.3380 0.4874
2900MeOH H3 8700 5.050 0.406 22.310 -0.2702 -0.4318 0.1441
2901MeOH Me1 8701 1.161 0.191 5.643 -0.2498 0.3621 0.0055
2901MeOH O2 8702 1.244 0.231 5.521 0.2205 -0.3013 0.1039
2901MeOH H3 8703 1.336 0.257 5.553 -0.3165 1.2332 0.4981
2902MeOH Me1 8704 0.286 2.016 2.726 0.7613 0.2802 0.6160
2902MeOH O2 8705 0.391 2.032 2.617 0.1215 0.1623 -0.0271
2902MeOH H3 8706 0.346 2.063 2.534 -0.0762 2.4024 0.8497
2903MeOH Me1 8707 1.812 2.248 3.863 0.8153 -0.6073 0.4319
2903MeOH O2 8708 1.795 2.343 3.981 0.0446 0.0679 -0.2162
2903MeOH H3 8709 1.880 2.345 4.033 -0.1805 0.6381 0.1416
2904MeOH Me1 8710 3.054 4.715 5.644 0.2210 -0.1018 0.7056
2904MeOH O2 8711 3.085 4.852 5.706 0.1360 0.1177 0.2686
2904MeOH H3 8712 3.121 4.911 5.634 0.1292 -0.0989 0.0826
2905MeOH Me1 8713 4.594 2.187 0.485 -0.2612 -0.1378 -0.3070
2905MeOH O2 8714 4.642 2.064 0.562 0.4238 0.1232 -0.3069
2905MeOH H3 8715 4.672 2.094 0.653 0.1082 0.2715 -0.2479
2906MeOH Me1 8716 1.441 3.188 1.317 0.2410 0.2128 0.3467
2906MeOH O2 8717 1.491 3.177 1.173 -0.4255 0.3594 0.0972
2906MeOH H3 8718 1.560 3.249 1.157 -0.3138 0.2176 -0.0689
2907MeOH Me1 8719 1.449 1.144 8.587 0.4237 0.0474 0.4133
2907MeOH O2 8720 1.546 1.209 8.686 0.3454 0.1583 0.4176
2907MeOH H3 8721 1.493 1.257 8.756 0.2206 -1.8068 1.7479
2908MeOH Me1 8722 1.507 0.096 8.480 0.8377 0.1145 -0.3917
2908MeOH O2 8723 1.483 0.237 8.534 -0.6340 -0.2806 0.0269
2908MeOH H3 8724 1.467 0.298 8.456 -0.1051 -0.0110 0.1203
2909MeOH Me1 8725 0.882 1.483 10.193 -0.3222 -0.5348 0.2121
2909MeOH O2 8726 1.004 1.415 10.255 0.1010 0.3110 0.3218
2909MeOH H3 8727 0.994 1.417 10.355 -0.0298 0.1958 0.3117
2910MeOH Me1 8728 4.719 3.353 0.505 -0.3030 -0.0620 0.1113
2910MeOH O2 8729 4.691 3.362 0.655 -0.1372 -0.7937 0.1923
2910MeOH H3 8730 4.683 3.269 0.691 0.2029 -0.9807 -0.1923
2911MeOH Me1 8731 1.049 4.091 1.240 -0.3759 -0.2001 0.0897
2911MeOH O2 8732 1.089 4.144 1.102 0.3557 0.5472 0.5779
2911MeOH H3 8733 1.174 4.196 1.112 0.4271 0.3168 1.2747
2912MeOH Me1 8734 2.121 4.934 0.230 -0.2929 0.1164 -0.2824
2912MeOH O2 8735 2.029 4.819 0.188 -0.4218 0.0453 0.1849
2912MeOH H3 8736 2.083 4.753 0.135 0.0205 -1.2963 2.1860
2913MeOH Me1 8737 0.257 2.367 8.378 0.4772 -0.0656 0.2545
2913MeOH O2 8738 0.236 2.514 8.340 0.6292 -0.0596 0.1932
2913MeOH H3 8739 0.259 2.571 8.419 0.8855 -0.0397 0.1043
2914MeOH Me1 8740 1.543 5.059 4.606 0.6449 -0.6695 0.6311
2914MeOH O2 8741 1.504 4.958 4.498 0.0644 -0.1791 0.3751
2914MeOH H3 8742 1.586 4.933 4.446 0.2209 -1.6038 1.2469
2915MeOH Me1 8743 0.572 4.221 7.663 -0.3934 -0.3118 0.2300
2915MeOH O2 8744 0.470 4.147 7.577 0.3207 -0.4941 -0.4785
2915MeOH H3 8745 0.405 4.101 7.638 0.5974 -1.4929 -0.9036
2916MeOH Me1 8746 2.356 3.348 4.237 0.5856 0.3771 0.4299
2916MeOH O2 8747 2.311 3.493 4.251 -0.2130 0.2141 -0.3461
2916MeOH H3 8748 2.388 3.547 4.285 0.1683 1.2400 -2.6383
2917MeOH Me1 8749 1.925 1.084 3.869 -0.3055 0.5130 -0.5831
2917MeOH O2 8750 1.886 0.949 3.927 0.1798 0.0689 -1.2690
2917MeOH H3 8751 1.884 0.957 4.027 -1.1664 -0.0698 -1.2674
2918MeOH Me1 8752 3.962 3.250 4.744 0.8155 0.5503 0.2286
2918MeOH O2 8753 3.919 3.234 4.890 0.1293 0.2890 0.0020
2918MeOH H3 8754 3.822 3.259 4.897 0.0084 -0.0339 -0.4631
2919MeOH Me1 8755 2.256 1.986 6.271 0.1096 -0.4386 -0.5898
2919MeOH O2 8756 2.110 1.945 6.253 -0.1512 0.2502 -0.0887
2919MeOH H3 8757 2.073 1.993 6.173 -1.0269 2.5833 1.6019
2920MeOH Me1 8758 4.251 2.432 7.161 0.2886 -0.5111 0.6102
2920MeOH O2 8759 4.387 2.482 7.113 0.1106 -0.7065 -0.1106
2920MeOH H3 8760 4.391 2.473 7.014 -0.2096 -1.2518 -0.0793
2921MeOH Me1 8761 1.318 2.667 2.015 0.0261 0.6488 0.3440
2921MeOH O2 8762 1.302 2.819 2.011 0.1402 0.6416 -0.8254
2921MeOH H3 8763 1.368 2.859 2.075 0.1697 1.0855 -1.1294
2922MeOH Me1 8764 3.322 2.997 6.431 -0.1388 -0.0963 -0.9811
2922MeOH O2 8765 3.346 3.147 6.420 0.1537 -0.0060 0.6146
2922MeOH H3 8766 3.433 3.162 6.373 0.4675 0.3267 1.2870
2923MeOH Me1 8767 4.529 2.394 4.880 -0.7409 0.5602 0.6783
2923MeOH O2 8768 4.663 2.454 4.837 -0.0063 -0.8452 0.9414
2923MeOH H3 8769 4.660 2.471 4.738 0.2062 -0.4258 1.0038
2924MeOH Me1 8770 4.969 1.998 7.366 -0.3931 0.0433 0.1456
2924MeOH O2 8771 4.898 1.977 7.500 -0.4578 0.0382 0.1186
2924MeOH H3 8772 4.906 1.880 7.525 -0.2242 0.0892 0.2491
2925MeOH Me1 8773 1.395 1.209 2.148 -1.0616 -0.6659 0.1874
2925MeOH O2 8774 1.506 1.104 2.158 -0.1881 0.1268 -0.8310
2925MeOH H3 8775 1.568 1.130 2.233 0.4877 0.7144 -1.5776
2926MeOH Me1 8776 1.051 3.718 7.641 0.0423 0.3159 0.8333
2926MeOH O2 8777 0.900 3.711 7.666 -0.1517 -0.0820 -0.3144
2926MeOH H3 8778 0.885 3.699 7.764 -0.8774 0.7322 -0.3147
2927MeOH Me1 8779 3.326 0.714 0.592 0.3597 -0.3045 -0.2469
2927MeOH O2 8780 3.350 0.857 0.544 -0.6140 -0.0045 0.1299
2927MeOH H3 8781 3.407 0.904 0.612 0.8414 -0.4583 -0.7350
2928MeOH Me1 8782 4.649 1.693 4.660 -0.0979 0.1508 0.5589
2928MeOH O2 8783 4.601 1.802 4.563 0.3769 0.1312 0.2981
2928MeOH H3 8784 4.593 1.761 4.472 1.2971 0.2201 0.1693
2929MeOH Me1 8785 2.400 1.944 5.250 0.1914 -0.3622 0.2535
2929MeOH O2 8786 2.449 1.802 5.283 0.2117 -0.4840 -0.2955
2929MeOH H3 8787 2.370 1.748 5.312 0.2760 -0.5108 -0.1734
2930MeOH Me1 8788 2.047 1.291 2.924 -0.1041 -0.0524 0.0739
2930MeOH O2 8789 1.912 1.286 2.852 0.1252 0.5446 -0.4125
2930MeOH H3 8790 1.841 1.318 2.915 0.0184 0.7103 -0.6161
2931MeOH Me1 8791 2.579 3.480 8.520 -0.2701 -0.2127 -0.4351
2931MeOH O2 8792 2.731 3.483 8.503 -0.1370 0.0968 0.7057
2931MeOH H3 8793 2.771 3.534 8.579 -0.8692 0.7438 0.6725
2932MeOH Me1 8794 0.312 3.641 8.592 0.3209 -0.0203 -0.0940
2932MeOH O2 8795 0.232 3.517 8.633 0.1457 0.1518 0.0931
2932MeOH H3 8796 0.161 3.500 8.564 0.9198 -0.5753 -0.5590
2933MeOH Me1 8797 2.635 0.535 6.616 -0.4379 -0.4129 -0.7202
2933MeOH O2 8798 2.572 0.492 6.748 0.4235 -0.1434 -0.2162
2933MeOH H3 8799 2.593 0.395 6.763 0.9889 0.0258 0.1218
2934MeOH Me1 8800 1.957 3.708 1.753 -0.2826 -0.1630 -0.0152
2934MeOH O2 8801 2.107 3.679 1.756 -0.3133 -0.3467 -0.0343
2934MeOH H3 8802 2.121 3.583 1.730 -0.4214 -0.2469 -0.4751
2935MeOH Me1 8803 4.529 0.735 4.333 0.4103 -0.6523 -0.3773
2935MeOH O2 8804 4.576 0.849 4.242 0.1449 -0.3497 -0.1395
2935MeOH H3 8805 4.551 0.826 4.148 -0.3350 0.0698 -0.1190
2936MeOH Me1 8806 2.993 3.325 4.561 -0.1652 -0.8988 -0.9146
2936MeOH O2 8807 3.084 3.324 4.438 0.7418 0.7925 -0.2866
2936MeOH H3 8808 3.094 3.419 4.406 -1.3616 0.9631 -0.6007
2937MeOH Me1 8809 2.052 1.221 2.089 0.6295 0.1099 -0.3685
2937MeOH O2 8810 2.058 1.371 2.116 -0.4405 0.1911 -0.5746
2937MeOH H3 8811 2.003 1.418 2.046 0.0914 -0.2272 -1.2814
2938MeOH Me1 8812 4.970 1.097 2.034 -0.3498 -0.1091 -0.1866
2938MeOH O2 8813 4.995 1.154 2.174 0.2562 -0.8698 0.0201
2938MeOH H3 8814 4.926 1.223 2.193 1.2898 0.2072 0.0366
2939MeOH Me1 8815 2.870 2.425 6.059 -0.0680 0.4359 -0.5104
2939MeOH O2 8816 2.854 2.286 5.998 -0.2136 0.5079 -0.6368
2939MeOH H3 8817 2.799 2.230 6.061 1.2796 -0.0606 0.2118
2940MeOH Me1 8818 4.691 2.862 2.366 0.3137 -0.3360 -0.3271
2940MeOH O2 8819 4.729 2.846 2.513 -0.1857 -0.5394 -0.2177
2940MeOH H3 8820 4.792 2.920 2.537 -0.9848 -0.0283 0.3454
2941MeOH Me1 8821 2.880 1.358 0.783 -0.0254 -0.2065 0.0729
2941MeOH O2 8822 2.860 1.289 0.917 0.0902 -0.2571 0.0624
2941MeOH H3 8823 2.791 1.217 0.906 -0.9726 0.6670 0.3945
2942MeOH Me1 8824 1.641 1.024 1.356 -0.1940 0.1223 -0.7456
2942MeOH O2 8825 1.515 1.091 1.411 0.0663 0.6772 -0.8094
2942MeOH H3 8826 1.535 1.128 1.501 -0.0603 -0.2255 -0.3961
2943MeOH Me1 8827 3.577 0.817 5.516 0.0681 0.4427 0.4991
2943MeOH O2 8828 3.660 0.695 5.556 -0.4625 -0.0491 0.1097
2943MeOH H3 8829 3.603 0.635 5.612 -0.8044 -0.1109 -0.2946
2944MeOH Me1 8830 0.066 1.065 9.950 -0.2654 0.6103 -0.0363
2944MeOH O2 8831 0.135 1.072 10.087 0.1381 0.4718 -0.2163
2944MeOH H3 8832 0.206 1.002 10.090 -0.2847 0.0369 -0.2607
2945MeOH Me1 8833 3.311 0.863 3.660 0.1486 -0.1096 0.7701
2945MeOH O2 8834 3.380 0.727 3.651 0.6247 0.1214 0.8652
2945MeOH H3 8835 3.312 0.658 3.627 1.2150 0.1655 -1.1405
2946MeOH Me1 8836 0.684 2.601 10.829 0.0924 -0.1264 -0.0777
2946MeOH O2 8837 0.835 2.605 10.806 0.1482 0.0724 0.2987
2946MeOH H3 8838 0.853 2.583 10.709 0.4823 -1.0010 0.5856
2947MeOH Me1 8839 0.586 1.308 10.443 -0.4209 -0.0732 -0.4207
2947MeOH O2 8840 0.512 1.328 10.576 0.0568 0.2940 -0.2052
2947MeOH H3 8841 0.454 1.248 10.592 1.2714 -0.3895 0.9856
2948MeOH Me1 8842 0.598 3.385 0.374 -0.2443 0.1692 0.0854
2948MeOH O2 8843 0.545 3.472 0.489 -0.3563 0.0830 0.0998
2948MeOH H3 8844 0.511 3.412 0.561 -2.1562 0.0167 -0.7687
2949MeOH Me1 8845 4.024 1.019 1.054 0.2659 0.1398 -0.4528
2949MeOH O2 8846 3.893 0.945 1.079 0.4263 0.0039 0.0097
2949MeOH H3 8847 3.818 1.012 1.075 0.4781 0.2083 1.8807
2950MeOH Me1 8848 4.399 4.372 3.418 0.2166 -0.3965 -0.3031
2950MeOH O2 8849 4.499 4.457 3.495 -0.0015 -0.2528 -0.1792
2950MeOH H3 8850 4.455 4.489 3.579 -0.1496 -0.3197 -0.2311
2951MeOH Me1 8851 2.872 3.325 10.689 0.0585 0.5676 -0.3177
2951MeOH O2 8852 2.844 3.174 10.684 0.0544 0.5451 0.2810
2951MeOH H3 8853 2.751 3.158 10.716 0.4204 0.5639 1.3967
2952MeOH Me1 8854 0.391 3.076 6.155 -0.1279 -0.3451 0.3305
2952MeOH O2 8855 0.278 3.172 6.118 0.2574 0.2380 0.6475
2952MeOH H3 8856 0.214 3.177 6.194 -0.3478 -0.6848 0.2076
2953MeOH Me1 8857 1.414 0.815 3.335 -0.1099 -0.3291 0.1557
2953MeOH O2 8858 1.265 0.845 3.318 -0.0751 0.0220 0.4597
2953MeOH H3 8859 1.233 0.891 3.401 0.5604 1.5500 -0.1150
2954MeOH Me1 8860 4.903 2.351 3.565 0.5698 -0.5801 0.0633
2954MeOH O2 8861 4.869 2.362 3.416 0.3782 0.3345 0.1665
2954MeOH H3 8862 4.856 2.269 3.380 0.8867 0.5174 -0.5122
2955MeOH Me1 8863 3.689 1.757 10.375 -0.1709 -0.2097 -0.1748
2955MeOH O2 8864 3.670 1.626 10.299 -0.1152 -0.0871 -0.3873
2955MeOH H3 8865 3.758 1.579 10.295 -0.3153 -0.5536 0.4648
2956MeOH Me1 8866 1.748 4.166 4.096 0.1695 -0.6218 0.1772
2956MeOH O2 8867 1.830 4.165 3.966 0.2195 0.0547 0.1963
2956MeOH H3 8868 1.910 4.107 3.980 1.0409 1.2104 0.4208
2957MeOH Me1 8869 2.453 0.194 2.415 0.3922 0.2666 0.1262
2957MeOH O2 8870 2.355 0.284 2.490 0.5440 0.2250 0.3780
2957MeOH H3 8871 2.369 0.272 2.589 -1.3891 -2.2791 0.4526
2958MeOH Me1 8872 1.929 2.712 9.696 -0.0264 -0.4277 -0.6827
2958MeOH O2 8873 2.045 2.647 9.773 0.1218 -0.1126 -0.6405
2958MeOH H3 8874 2.008 2.571 9.826 0.2982 -0.2121 -0.6621
2959MeOH Me1 8875 3.771 3.692 10.262 -0.0980 0.4413 -0.1346
2959MeOH O2 8876 3.785 3.838 10.305 0.3670 0.3242 0.1246
2959MeOH H3 8877 3.693 3.876 10.321 0.5332 -0.2019 2.9449
2960MeOH Me1 8878 2.540 0.895 8.599 0.3795 0.1582 0.5923
2960MeOH O2 8879 2.613 1.028 8.618 0.1939 0.3678 -0.1750
2960MeOH H3 8880 2.598 1.060 8.711 -1.3948 1.8032 -0.8585
2961MeOH Me1 8881 4.096 3.861 6.102 0.1572 0.2309 -0.4062
2961MeOH O2 8882 4.245 3.825 6.113 -0.0088 -0.1757 0.6639
2961MeOH H3 8883 4.298 3.908 6.098 0.3362 -0.3942 0.6797
2962MeOH Me1 8884 3.890 4.180 0.229 -0.4105 -0.4102 -0.3766
2962MeOH O2 8885 3.769 4.153 0.318 -0.2155 -0.2827 -0.0724
2962MeOH H3 8886 3.698 4.221 0.296 -0.1141 -0.0620 0.2661
2963MeOH Me1 8887 0.023 2.617 7.779 0.1027 0.0093 -0.7339
2963MeOH O2 8888 0.175 2.599 7.782 0.1050 0.0765 -0.4392
2963MeOH H3 8889 0.202 2.573 7.875 -0.0378 0.3114 -0.3316
2964MeOH Me1 8890 1.545 2.212 6.332 0.2682 0.0472 -0.1030
2964MeOH O2 8891 1.544 2.326 6.435 -0.6010 0.3453 -0.4355
2964MeOH H3 8892 1.536 2.413 6.386 -0.4371 0.1913 -0.7379
2965MeOH Me1 8893 3.813 2.170 9.661 -0.0590 -0.3916 -0.1351
2965MeOH O2 8894 3.803 2.239 9.525 0.3645 -0.6997 -0.3231
2965MeOH H3 8895 3.892 2.281 9.503 0.5573 -1.1146 -0.3389
2966MeOH Me1 8896 4.783 1.798 0.265 0.6127 0.2797 -0.2152
2966MeOH O2 8897 4.693 1.791 0.141 -0.0442 -0.1912 0.2806
2966MeOH H3 8898 4.598 1.802 0.170 0.1682 0.7382 0.6572
2967MeOH Me1 8899 3.955 4.715 4.720 0.5028 0.1880 0.3236
2967MeOH O2 8900 4.051 4.833 4.708 0.1009 0.4320 -0.5844
2967MeOH H3 8901 4.004 4.908 4.662 -0.7130 0.5161 0.3668
2968MeOH Me1 8902 4.956 2.627 8.565 -0.0362 0.1917 -0.2272
2968MeOH O2 8903 4.820 2.629 8.635 0.1558 0.5210 0.1440
2968MeOH H3 8904 4.778 2.719 8.621 -0.6606 -0.0807 -1.7022
2969MeOH Me1 8905 1.558 0.799 4.577 1.1923 -0.7003 0.4507
2969MeOH O2 8906 1.476 0.701 4.494 -0.5153 1.0202 0.0371
2969MeOH H3 8907 1.524 0.684 4.408 0.0827 -0.7137 0.6782
2970MeOH Me1 8908 2.298 0.357 10.108 -0.3229 0.0942 0.5591
2970MeOH O2 8909 2.210 0.294 10.217 0.1377 -0.7520 0.4524
2970MeOH H3 8910 2.141 0.361 10.245 0.2190 -0.9776 1.2297
2971MeOH Me1 8911 2.665 3.111 9.396 -0.4223 0.1159 0.3336
2971MeOH O2 8912 2.777 3.200 9.342 -0.3189 -0.1735 0.0715
2971MeOH H3 8913 2.758 3.221 9.246 -1.1053 0.8464 0.4452
2972MeOH Me1 8914 3.655 3.522 3.585 -0.0356 -0.1996 -0.1438
2972MeOH O2 8915 3.538 3.557 3.493 -0.5480 -0.5250 0.3725
2972MeOH H3 8916 3.525 3.483 3.428 -1.2353 -0.9815 1.0216
2973MeOH Me1 8917 2.941 2.585 3.180 0.0728 -0.0996 -0.1901
2973MeOH O2 8918 2.943 2.732 3.136 0.4806 -0.1052 -0.1902
2973MeOH H3 8919 2.868 2.746 3.071 0.6818 0.0402 -0.3926
2974MeOH Me1 8920 4.753 2.969 5.666 -0.2089 0.1146 -0.5833
2974MeOH O2 8921 4.696 3.075 5.760 0.3099 0.0547 -0.2009
2974MeOH H3 8922 4.672 3.031 5.847 2.6543 0.3491 0.6563
2975MeOH Me1 8923 3.341 3.829 3.458 -0.0071 -0.3427 0.0133
2975MeOH O2 8924 3.493 3.811 3.458 0.1215 0.6758 0.0937
2975MeOH H3 8925 3.514 3.714 3.473 0.7482 0.7137 -0.4613
2976MeOH Me1 8926 3.258 0.575 8.222 0.2037 0.1897 0.0820
2976MeOH O2 8927 3.300 0.485 8.338 0.1369 0.0934 0.0323
2976MeOH H3 8928 3.219 0.461 8.391 0.1959 0.6124 0.3659
2977MeOH Me1 8929 1.115 1.379 4.941 0.2363 -0.0397 0.3802
2977MeOH O2 8930 1.024 1.479 4.871 0.2553 0.0361 0.4633
2977MeOH H3 8931 0.996 1.548 4.937 0.9763 0.4845 0.3107
2978MeOH Me1 8932 4.062 4.521 0.219 -0.3503 -0.1313 0.2359
2978MeOH O2 8933 4.029 4.631 0.118 0.4513 0.1982 0.3294
2978MeOH H3 8934 4.090 4.621 0.039 0.7011 0.1154 0.5322
2979MeOH Me1 8935 0.388 3.817 1.695 -0.3800 0.1004 0.0060
2979MeOH O2 8936 0.507 3.878 1.768 -0.2019 -0.0647 -0.1449
2979MeOH H3 8937 0.567 3.804 1.799 -0.5184 -0.1797 0.2128
2980MeOH Me1 8938 4.860 1.533 29.419 0.2987 -0.0704 0.4813
2980MeOH O2 8939 4.782 1.663 29.439 0.1189 -0.1825 0.5272
2980MeOH H3 8940 4.695 1.641 29.484 -0.8917 -0.6105 -1.4833
2981MeOH Me1 8941 1.933 0.202 8.795 -0.0445 -0.3306 -0.3273
2981MeOH O2 8942 2.062 0.275 8.756 -0.0370 -0.1816 -0.0294
2981MeOH H3 8943 2.068 0.360 8.809 -0.4879 0.0536 -0.3503
2982MeOH Me1 8944 4.308 4.529 6.815 -0.2410 -0.1939 -0.1975
2982MeOH O2 8945 4.229 4.421 6.889 -0.1512 -0.6604 -0.7780
2982MeOH H3 8946 4.293 4.354 6.926 0.3089 1.2391 2.2200
2983MeOH Me1 8947 0.271 4.335 11.286 -0.5026 0.5717 0.0911
2983MeOH O2 8948 0.125 4.290 11.293 -0.3678 0.1638 0.3174
2983MeOH H3 8949 0.088 4.289 11.200 -0.8841 1.3089 0.4858
2984MeOH Me1 8950 2.414 0.654 10.634 0.2196 -0.7172 -0.4247
2984MeOH O2 8951 2.510 0.773 10.632 -0.4375 -0.1827 -0.5816
2984MeOH H3 8952 2.461 0.854 10.667 -1.3677 -0.0114 -2.1751
2985MeOH Me1 8953 2.109 0.669 2.138 0.2294 0.6689 -0.9439
2985MeOH O2 8954 2.262 0.673 2.129 0.3017 -0.5052 -0.4884
2985MeOH H3 8955 2.299 0.595 2.178 -0.5577 -2.8549 -3.3064
2986MeOH Me1 8956 1.711 0.663 10.006 0.4049 -0.0624 -0.0589
2986MeOH O2 8957 1.709 0.635 9.856 -0.0010 -0.4131 0.0104
2986MeOH H3 8958 1.633 0.574 9.836 0.3591 -1.0187 0.4557
2987MeOH Me1 8959 3.200 2.657 3.571 -0.0693 -0.0315 -0.0034
2987MeOH O2 8960 3.181 2.531 3.655 -0.6714 0.1174 0.0902
2987MeOH H3 8961 3.118 2.552 3.730 -0.4009 0.5403 0.2082
2988MeOH Me1 8962 1.543 4.315 1.838 0.4045 -0.2294 -0.1405
2988MeOH O2 8963 1.597 4.217 1.733 0.4519 -0.6990 0.3202
2988MeOH H3 8964 1.651 4.268 1.667 2.0157 -1.2540 1.1322
2989MeOH Me1 8965 3.057 2.171 8.769 -0.2602 0.1182 -0.0326
2989MeOH O2 8966 3.059 2.077 8.890 -0.1523 -0.2295 -0.3067
2989MeOH H3 8967 2.973 2.027 8.892 -1.0716 1.3174 0.8484
2990MeOH Me1 8968 4.100 0.539 9.517 0.4868 0.0441 0.0249
2990MeOH O2 8969 4.051 0.395 9.506 -0.4690 0.3612 0.0244
2990MeOH H3 8970 4.063 0.364 9.412 0.0973 0.0223 0.1984
2991MeOH Me1 8971 0.394 0.205 10.003 -1.3252 -0.0402 0.1869
2991MeOH O2 8972 0.426 0.224 10.151 0.0575 -0.3648 -0.0540
2991MeOH H3 8973 0.399 0.141 10.200 -1.0299 0.1477 0.2415
2992MeOH Me1 8974 4.259 1.507 8.516 0.2566 0.4182 0.0320
2992MeOH O2 8975 4.403 1.458 8.533 0.2919 0.4780 -0.0981
2992MeOH H3 8976 4.428 1.465 8.629 0.1906 -0.0277 -0.0330
2993MeOH Me1 8977 3.685 1.022 5.058 -0.3272 -0.1075 0.2831
2993MeOH O2 8978 3.616 0.902 4.993 0.0961 -0.1370 -0.1184
2993MeOH H3 8979 3.686 0.837 4.965 0.2733 -0.3968 0.8805
2994MeOH Me1 8980 5.043 4.801 9.044 -0.4984 -0.0158 -0.2395
2994MeOH O2 8981 5.008 4.933 9.113 -0.0765 -0.1599 0.2466
2994MeOH H3 8982 4.981 4.999 9.044 0.5045 0.3065 0.4506
2995MeOH Me1 8983 1.134 1.839 7.503 0.4583 -0.1190 -0.1741
2995MeOH O2 8984 1.252 1.934 7.527 0.4147 0.0175 -0.5040
2995MeOH H3 8985 1.221 2.010 7.583 0.3376 0.2931 -0.9155
2996MeOH Me1 8986 4.583 1.041 2.300 0.1947 -0.1234 0.5228
2996MeOH O2 8987 4.643 1.048 2.440 -0.0058 0.0483 0.5995
2996MeOH H3 8988 4.743 1.045 2.433 0.0129 0.2815 0.7295
2997MeOH Me1 8989 0.937 1.088 5.795 0.0932 0.7009 0.5539
2997MeOH O2 8990 1.079 1.075 5.850 0.1233 -0.1609 0.2817
2997MeOH H3 8991 1.082 0.993 5.909 0.1527 -1.1052 -0.9875
2998MeOH Me1 8992 2.509 1.165 3.826 -0.0919 0.2446 0.3196
2998MeOH O2 8993 2.511 1.026 3.760 0.4436 -0.0806 1.0111
2998MeOH H3 8994 2.469 1.033 3.669 0.9970 -0.5649 0.7110
2999MeOH Me1 8995 4.654 0.755 4.744 0.0725 -0.2254 -0.5013
2999MeOH O2 8996 4.591 0.793 4.878 0.4173 -0.5519 -0.2285
2999MeOH H3 8997 4.642 0.869 4.916 -1.1808 1.2701 -1.5379
3000MeOH Me1 8998 0.507 1.091 7.369 0.1038 -0.2963 -0.2219
3000MeOH O2 8999 0.561 0.983 7.275 0.7114 -0.3102 0.1341
3000MeOH H3 9000 0.588 0.904 7.329 1.1528 0.0172 0.3960
3001MeOH Me1 9001 4.449 3.523 3.778 -0.4307 -0.3767 0.1033
3001MeOH O2 9002 4.476 3.663 3.721 -0.3309 -0.3674 0.1726
3001MeOH H3 9003 4.520 3.653 3.632 -2.3133 -0.3959 -0.8544
3002MeOH Me1 9004 1.125 0.699 4.805 0.1203 0.4914 -0.4944
3002MeOH O2 9005 0.975 0.680 4.780 0.0753 -0.4416 0.4211
3002MeOH H3 9006 0.959 0.585 4.752 0.6222 -0.3133 -0.3490
3003MeOH Me1 9007 4.347 2.945 6.119 -0.5444 0.2628 0.3142
3003MeOH O2 9008 4.283 2.872 6.237 0.3878 -0.6837 0.2467
3003MeOH H3 9009 4.271 2.776 6.212 -2.9399 0.1047 -1.8229
3004MeOH Me1 9010 2.278 0.361 6.473 0.4620 -0.5527 0.2195
3004MeOH O2 9011 2.173 0.370 6.584 0.1456 0.1433 -0.1368
3004MeOH H3 9012 2.204 0.437 6.652 -0.0133 0.5142 -0.4241
3005MeOH Me1 9013 4.344 2.846 1.307 -0.4639 -0.1321 0.1953
3005MeOH O2 9014 4.362 2.976 1.386 -0.1584 0.0559 -0.1793
3005MeOH H3 9015 4.436 3.028 1.344 -0.9753 0.4353 -1.2139
3006MeOH Me1 9016 3.729 0.446 1.245 -0.0554 0.5143 0.0859
3006MeOH O2 9017 3.734 0.306 1.182 -0.3802 0.7712 -0.5277
3006MeOH H3 9018 3.780 0.312 1.094 1.3239 0.7647 0.3250
3007MeOH Me1 9019 2.777 2.975 29.817 0.1437 0.3501 0.7475
3007MeOH O2 9020 2.852 3.086 29.891 -0.0273 0.3951 0.8563
3007MeOH H3 9021 2.936 3.048 29.929 0.2970 0.6070 0.3612
3008MeOH Me1 9022 0.007 1.215 6.033 0.5678 0.1737 -0.1974
3008MeOH O2 9023 0.108 1.115 6.088 0.5794 -0.0327 -0.5918
3008MeOH H3 9024 0.198 1.159 6.093 0.3615 0.3105 0.6015
3009MeOH Me1 9025 4.806 0.291 1.952 0.0366 0.4892 -0.1530
3009MeOH O2 9026 4.927 0.382 1.926 0.0865 0.4717 0.0168
3009MeOH H3 9027 4.893 0.473 1.903 0.0630 -0.0298 -2.1117
3010MeOH Me1 9028 4.920 4.231 8.658 0.5606 0.1091 0.1104
3010MeOH O2 9029 4.791 4.217 8.740 0.8350 -0.1592 0.4944
3010MeOH H3 9030 4.797 4.278 8.818 0.3688 0.8629 -0.2545
3011MeOH Me1 9031 1.205 4.896 5.375 0.3953 0.1973 -0.0756
3011MeOH O2 9032 1.118 4.940 5.257 -0.3477 0.1618 0.4505
3011MeOH H3 9033 1.113 5.040 5.258 1.2779 0.2971 -0.6566
3012MeOH Me1 9034 4.854 4.491 9.608 0.2842 0.3760 0.2188
3012MeOH O2 9035 4.981 4.471 9.524 0.1381 -0.1730 0.1262
3012MeOH H3 9036 5.020 4.560 9.504 -0.3846 -0.2450 -1.2882
3013MeOH Me1 9037 3.666 0.642 10.709 0.3506 -0.2183 0.3671
3013MeOH O2 9038 3.589 0.763 10.764 -0.0006 -0.3385 0.1397
3013MeOH H3 9039 3.574 0.827 10.689 -0.4140 -0.6361 -0.0412
3014MeOH Me1 9040 0.090 0.383 1.515 0.4555 0.3333 0.0913
3014MeOH O2 9041 0.127 0.451 1.384 -0.2196 -0.0176 -0.2870
3014MeOH H3 9042 0.185 0.530 1.404 1.3273 -0.9601 -0.8964
3015MeOH Me1 9043 0.277 1.244 0.454 -0.8678 -0.2411 0.3887
3015MeOH O2 9044 0.141 1.278 0.393 -0.2681 0.6697 -0.4992
3015MeOH H3 9045 0.084 1.320 0.465 -1.3261 -1.3190 -0.1059
3016MeOH Me1 9046 3.661 4.754 3.436 -0.1923 0.4396 0.5102
3016MeOH O2 9047 3.788 4.774 3.354 -0.3346 0.1019 0.2051
3016MeOH H3 9048 3.785 4.713 3.275 -1.1165 0.7723 -0.2989
3017MeOH Me1 9049 0.317 -0.091 4.549 -0.1987 -0.0357 -0.3271
3017MeOH O2 9050 0.381 0.045 4.579 -0.2296 -0.0845 -0.0352
3017MeOH H3 9051 0.405 0.048 4.676 0.4108 -0.5560 -0.1721
3018MeOH Me1 9052 2.559 1.300 29.797 0.0518 0.1146 -0.0927
3018MeOH O2 9053 2.598 1.327 29.651 -0.4664 0.1200 -0.2334
3018MeOH H3 9054 2.687 1.286 29.634 -0.0424 1.0242 -0.2506
3019MeOH Me1 9055 1.734 4.833 8.068 0.3812 -0.1584 0.0349
3019MeOH O2 9056 1.694 4.718 7.976 -0.0211 -0.4717 0.5972
3019MeOH H3 9057 1.777 4.668 7.950 0.0408 0.2607 -0.6797
3020MeOH Me1 9058 3.481 2.138 4.059 -0.2985 -0.9622 0.0118
3020MeOH O2 9059 3.393 2.110 3.937 -0.7075 -0.8452 0.2794
3020MeOH H3 9060 3.420 2.171 3.863 -1.1799 -0.5436 0.3513
3021MeOH Me1 9061 1.975 3.444 4.149 0.2282 -0.0199 0.5659
3021MeOH O2 9062 2.090 3.541 4.123 0.0232 0.0816 0.0036
3021MeOH H3 9063 2.166 3.516 4.184 0.2685 0.2911 -0.2165
3022MeOH Me1 9064 1.232 3.568 2.747 -0.5399 -0.0196 -0.0215
3022MeOH O2 9065 1.319 3.629 2.638 -0.4302 -0.2082 -0.0402
3022MeOH H3 9066 1.304 3.579 2.553 -1.2558 0.3983 -0.2690
3023MeOH Me1 9067 4.824 2.184 9.823 0.8787 -0.2988 0.1739
3023MeOH O2 9068 4.884 2.258 9.704 -0.0978 -0.2618 -0.3018
3023MeOH H3 9069 4.834 2.232 9.621 -1.4558 0.5500 0.2347
3024MeOH Me1 9070 2.602 3.299 3.908 0.3647 -0.7245 -0.0778
3024MeOH O2 9071 2.577 3.389 3.788 -0.8753 0.0546 0.7430
3024MeOH H3 9072 2.574 3.333 3.705 -1.7343 0.5907 0.3958
3025MeOH Me1 9073 0.253 4.312 3.386 -0.1991 0.4091 -0.0190
3025MeOH O2 9074 0.155 4.221 3.312 0.4152 0.0237 -0.3627
3025MeOH H3 9075 0.207 4.165 3.247 0.8952 0.0461 -0.0085
3026MeOH Me1 9076 4.374 3.870 5.391 0.6908 -0.0986 -0.1632
3026MeOH O2 9077 4.433 3.794 5.510 -0.3880 -0.0063 0.4507
3026MeOH H3 9078 4.461 3.703 5.478 -1.1236 -0.4494 1.0390
3027MeOH Me1 9079 4.711 0.879 8.661 -0.3227 -0.0844 0.3227
3027MeOH O2 9080 4.745 1.026 8.633 0.0914 -0.1238 0.6941
3027MeOH H3 9081 4.758 1.037 8.534 -2.2436 0.5750 0.4120
3028MeOH Me1 9082 0.666 1.642 0.327 0.3528 -0.0232 0.1592
3028MeOH O2 9083 0.725 1.528 0.409 -0.2888 -0.1360 0.4997
3028MeOH H3 9084 0.773 1.466 0.348 -0.1012 -0.2430 0.7547
3029MeOH Me1 9085 3.319 1.441 3.355 -0.2739 -0.1969 -0.2541
3029MeOH O2 9086 3.268 1.581 3.322 0.0367 0.0398 0.2567
3029MeOH H3 9087 3.253 1.587 3.223 1.3178 0.8561 0.0901
3030MeOH Me1 9088 3.860 2.233 6.244 -0.3382 0.1308 -0.2283
3030MeOH O2 9089 3.930 2.250 6.379 0.1404 -0.2085 -0.4366
3030MeOH H3 9090 3.898 2.336 6.421 -0.5329 -0.8367 0.3790
3031MeOH Me1 9091 1.549 2.021 4.588 -0.2231 -0.0128 0.1891
3031MeOH O2 9092 1.452 1.921 4.651 -0.4951 0.3958 0.4180
3031MeOH H3 9093 1.472 1.830 4.615 -1.0306 0.3251 0.2861
3032MeOH Me1 9094 4.183 3.799 29.931 1.0347 0.2085 0.6859
3032MeOH O2 9095 4.135 3.941 29.959 0.0328 0.1014 -0.4259
3032MeOH H3 9096 4.187 3.978 30.035 -0.3318 1.0126 -0.6006
3033MeOH Me1 9097 0.775 -0.052 6.013 -0.6313 0.2190 0.2164
3033MeOH O2 9098 0.733 0.036 5.895 -0.0947 0.2897 0.0762
3033MeOH H3 9099 0.633 0.039 5.891 -0.1510 -1.5337 -1.7067
3034MeOH Me1 9100 4.471 0.542 7.748 -0.4390 -0.0480 -0.4356
3034MeOH O2 9101 4.501 0.597 7.887 0.2249 -0.0534 -0.5741
3034MeOH H3 9102 4.485 0.525 7.955 -1.0308 0.3959 -0.3542
3035MeOH Me1 9103 2.846 4.677 4.286 -0.4843 -0.4631 -0.5304
3035MeOH O2 9104 2.769 4.804 4.322 0.0598 -0.3141 0.1377
3035MeOH H3 9105 2.684 4.778 4.367 1.6349 -0.0852 3.4871
3036MeOH Me1 9106 2.319 1.722 4.111 0.3118 -0.0503 -0.3466
3036MeOH O2 9107 2.178 1.693 4.058 0.3404 -0.5490 -0.1531
3036MeOH H3 9108 2.131 1.780 4.045 0.2730 -0.6802 -0.7949
3037MeOH Me1 9109 2.875 3.017 4.132 -0.1306 -0.0320 0.1018
3037MeOH O2 9110 3.008 2.987 4.202 0.0167 0.2070 -0.0720
3037MeOH H3 9111 3.065 3.069 4.198 -0.4196 0.5434 0.4793
3038MeOH Me1 9112 4.381 1.510 7.083 0.1940 0.2694 -0.1084
3038MeOH O2 9113 4.532 1.537 7.086 0.2714 -0.1622 -0.1631
3038MeOH H3 9114 4.576 1.463 7.138 -0.1782 0.8753 1.7840
3039MeOH Me1 9115 4.088 0.417 4.538 0.3288 -1.2329 -0.0174
3039MeOH O2 9116 4.139 0.533 4.452 -0.5689 -0.2883 0.6707
3039MeOH H3 9117 4.064 0.565 4.395 -0.6781 -0.9175 0.4558
3040MeOH Me1 9118 2.039 0.177 9.612 0.0634 -0.2342 -0.0236
3040MeOH O2 9119 1.890 0.165 9.643 -0.1353 0.4520 -0.6862
3040MeOH H3 9120 1.839 0.216 9.573 0.4486 1.5089 -0.3546
3041MeOH Me1 9121 2.151 2.499 3.230 -0.6237 -0.3952 -0.2207
3041MeOH O2 9122 2.019 2.575 3.217 -0.3359 0.1003 -0.2804
3041MeOH H3 9123 2.036 2.672 3.232 0.0553 0.0633 -0.4762
3042MeOH Me1 9124 1.832 0.837 1.662 0.4175 -0.3712 0.0155
3042MeOH O2 9125 1.901 0.974 1.665 0.1565 -0.2351 -0.1773
3042MeOH H3 9126 2.000 0.960 1.664 0.1854 -0.0159 -1.4355
3043MeOH Me1 9127 0.375 0.860 0.517 0.1580 -0.3460 0.6071
3043MeOH O2 9128 0.256 0.869 0.613 -0.0636 0.4984 0.2624
3043MeOH H3 9129 0.286 0.838 0.704 -0.4957 0.4503 0.3905
3044MeOH Me1 9130 4.040 1.410 4.968 0.2015 -0.1872 0.1140
3044MeOH O2 9131 4.123 1.437 5.093 -0.1151 -0.7418 0.4483
3044MeOH H3 9132 4.197 1.500 5.069 -0.0726 -0.6089 0.9174
3045MeOH Me1 9133 3.029 3.758 8.000 -0.2429 -0.0303 -0.2585
3045MeOH O2 9134 2.900 3.775 8.081 -0.4294 0.4257 -0.6511
3045MeOH H3 9135 2.826 3.725 8.035 0.0258 -1.1810 0.2858
3046MeOH Me1 9136 2.227 4.710 9.639 0.3512 -0.1922 -0.3537
3046MeOH O2 9137 2.283 4.602 9.731 0.0041 0.2512 0.3909
3046MeOH H3 9138 2.382 4.611 9.735 0.0163 0.0897 0.4948
3047MeOH Me1 9139 1.343 2.447 9.368 -0.2078 -0.4307 -0.0291
3047MeOH O2 9140 1.312 2.579 9.297 -0.0083 -0.1963 0.3223
3047MeOH H3 9141 1.383 2.646 9.321 -0.6464 0.0569 1.5774
3048MeOH Me1 9142 2.557 0.601 0.381 0.2535 0.3997 -0.3242
3048MeOH O2 9143 2.564 0.594 0.534 -0.2708 0.4816 -0.2955
3048MeOH H3 9144 2.472 0.607 0.571 -1.1632 -3.3004 -0.7580
3049MeOH Me1 9145 4.256 3.134 3.250 0.7047 0.6388 -0.4039
3049MeOH O2 9146 4.162 3.232 3.179 -0.6595 -0.5980 -0.3564
3049MeOH H3 9147 4.204 3.260 3.093 -0.5854 0.7726 0.1001
3050MeOH Me1 9148 3.016 0.306 5.291 0.1767 -0.1549 -0.3011
3050MeOH O2 9149 3.132 0.225 5.349 0.3342 0.1345 -0.2066
3050MeOH H3 9150 3.213 0.242 5.292 0.1900 -0.1172 -0.4934
3051MeOH Me1 9151 1.351 0.592 9.125 -0.4166 0.1501 0.1048
3051MeOH O2 9152 1.489 0.583 9.191 -0.6362 -1.1795 0.4218
3051MeOH H3 9153 1.548 0.527 9.133 -0.8769 -1.2703 0.2612
3052MeOH Me1 9154 0.163 1.890 4.559 -0.1983 0.2927 -0.1615
3052MeOH O2 9155 0.166 1.980 4.436 -0.5938 0.0088 -0.3841
3052MeOH H3 9156 0.244 1.954 4.379 -1.6870 -1.1911 -1.3998
3053MeOH Me1 9157 2.125 5.057 2.289 0.0250 0.1981 -0.4994
3053MeOH O2 9158 2.161 4.910 2.314 0.3756 0.2962 -0.4187
3053MeOH H3 9159 2.120 4.882 2.401 0.5985 0.2988 -0.3123
3054MeOH Me1 9160 1.610 0.182 7.394 0.4016 -0.3001 -0.2412
3054MeOH O2 9161 1.705 0.267 7.309 0.4543 -0.5426 -0.4270
3054MeOH H3 9162 1.650 0.332 7.255 0.5804 0.8978 1.0767
3055MeOH Me1 9163 3.004 3.754 4.052 -0.6654 -0.5189 0.2443
3055MeOH O2 9164 2.930 3.780 3.920 0.0133 -0.4138 -0.1223
3055MeOH H3 9165 2.836 3.805 3.941 0.0261 0.0046 -0.5563
3056MeOH Me1 9166 3.667 3.467 7.099 -0.1014 0.4559 0.2253
3056MeOH O2 9167 3.545 3.543 7.048 0.0676 0.3676 -0.3175
3056MeOH H3 9168 3.495 3.579 7.127 -0.2704 0.3739 -0.5278
3057MeOH Me1 9169 1.159 0.423 2.908 -0.1537 -0.2054 0.3983
3057MeOH O2 9170 1.294 0.447 2.839 -0.4814 -0.0414 -0.1927
3057MeOH H3 9171 1.277 0.475 2.744 -0.9109 -0.9206 -0.3813
3058MeOH Me1 9172 0.157 2.150 2.318 0.3140 0.5315 0.1814
3058MeOH O2 9173 0.291 2.125 2.389 0.4354 0.5053 -0.0528
3058MeOH H3 9174 0.346 2.208 2.382 0.5663 0.3902 -0.4205
3059MeOH Me1 9175 0.639 1.671 7.736 -0.5278 0.0916 -0.0155
3059MeOH O2 9176 0.574 1.631 7.603 0.4875 -0.3238 -0.3984
3059MeOH H3 9177 0.644 1.631 7.532 0.3796 3.2591 -0.6618
3060MeOH Me1 9178 2.211 3.835 4.501 0.0073 -0.2205 -0.3859
3060MeOH O2 9179 2.353 3.848 4.446 0.3758 -0.1132 0.5720
3060MeOH H3 9180 2.405 3.766 4.471 -0.6111 -1.5144 -1.6456
3061MeOH Me1 9181 0.909 0.957 8.830 0.1114 -0.6267 -0.2373
3061MeOH O2 9182 0.976 0.930 8.695 -0.2541 -0.0340 -0.5595
3061MeOH H3 9183 0.998 1.018 8.652 1.6256 0.1932 0.7715
3062MeOH Me1 9184 0.617 -0.039 0.200 0.5217 -0.3180 0.3504
3062MeOH O2 9185 0.690 0.082 0.258 0.1573 0.0632 0.0223
3062MeOH H3 9186 0.624 0.139 0.306 0.1470 -0.5251 0.7268
3063MeOH Me1 9187 2.964 4.907 9.168 0.0979 -0.3882 -0.2960
3063MeOH O2 9188 3.070 4.852 9.264 0.1707 -0.1886 -0.2619
3063MeOH H3 9189 3.160 4.866 9.223 0.2125 0.6737 0.1083
3064MeOH Me1 9190 0.592 4.216 1.026 0.1118 -0.0001 0.2463
3064MeOH O2 9191 0.636 4.074 0.991 -0.5038 -0.0395 -0.3660
3064MeOH H3 9192 0.719 4.079 0.935 -0.4625 -0.1479 -0.3148
3065MeOH Me1 9193 1.730 0.963 3.088 0.0982 -0.3174 0.1837
3065MeOH O2 9194 1.754 1.083 3.179 0.2409 -0.1806 -0.0303
3065MeOH H3 9195 1.665 1.117 3.210 0.2206 0.7299 -1.0495
3066MeOH Me1 9196 0.775 2.300 30.080 0.0870 0.3300 -0.0168
3066MeOH O2 9197 0.796 2.391 29.959 -0.1531 -0.1535 -0.4234
3066MeOH H3 9198 0.738 2.359 29.884 0.4504 -1.0728 -0.5127
3067MeOH Me1 9199 2.439 1.631 3.444 -0.1575 0.4436 -0.2688
3067MeOH O2 9200 2.431 1.498 3.520 0.1562 0.5681 -0.0131
3067MeOH H3 9201 2.407 1.517 3.615 0.3762 0.7126 0.0126
3068MeOH Me1 9202 5.082 4.781 3.081 -0.0533 0.1638 -0.2973
3068MeOH O2 9203 4.946 4.774 3.011 -0.0736 0.4478 -0.2867
3068MeOH H3 9204 4.878 4.742 3.076 -0.1292 0.5525 -0.2919
3069MeOH Me1 9205 0.296 1.548 9.676 -0.2180 0.5100 -0.3703
3069MeOH O2 9206 0.213 1.611 9.789 0.2895 0.0936 0.2213
3069MeOH H3 9207 0.258 1.694 9.819 -2.0635 2.9323 -3.2202
3070MeOH Me1 9208 1.986 1.981 5.201 -0.7644 -0.4153 -0.0583
3070MeOH O2 9209 1.979 1.898 5.330 0.7143 -0.3175 0.1045
3070MeOH H3 9210 2.044 1.936 5.396 1.8311 -0.5617 -0.8271
3071MeOH Me1 9211 4.984 1.175 1.568 0.1421 -0.6101 -0.2598
3071MeOH O2 9212 4.852 1.217 1.505 0.0565 -0.6099 -0.0766
3071MeOH H3 9213 4.831 1.310 1.535 -0.5282 -1.0637 0.9870
3072MeOH Me1 9214 3.376 2.985 9.061 0.7306 0.0689 0.4428
3072MeOH O2 9215 3.374 3.130 9.010 -0.5369 -0.1972 -0.2426
3072MeOH H3 9216 3.280 3.164 9.016 -0.9859 -1.2201 -1.1173
3073MeOH Me1 9217 5.061 1.326 29.600 0.4598 -0.3476 -0.1213
3073MeOH O2 9218 4.978 1.252 29.705 0.0266 -0.0409 -0.2469
3073MeOH H3 9219 4.934 1.320 29.764 -0.6112 0.1425 -0.9241
3074MeOH Me1 9220 2.268 2.648 2.780 -0.2796 -0.0414 -0.0464
3074MeOH O2 9221 2.324 2.514 2.827 -0.3298 -0.1076 -0.1716
3074MeOH H3 9222 2.334 2.453 2.748 2.3733 0.9273 -0.7318
3075MeOH Me1 9223 0.578 4.789 6.261 0.0198 0.4573 -0.0464
3075MeOH O2 9224 0.609 4.721 6.127 -0.2990 0.0336 0.0927
3075MeOH H3 9225 0.524 4.683 6.091 -0.6049 0.9603 -0.1737
3076MeOH Me1 9226 1.551 0.222 0.410 0.6678 -0.1481 -0.0673
3076MeOH O2 9227 1.607 0.171 0.277 0.2517 0.4714 -0.4837
3076MeOH H3 9228 1.656 0.085 0.294 -2.4241 -1.3965 -1.5127
3077MeOH Me1 9229 1.798 2.456 8.811 0.8197 0.4469 0.0320
3077MeOH O2 9230 1.839 2.311 8.835 0.1045 0.2423 0.0365
3077MeOH H3 9231 1.887 2.277 8.753 0.7848 0.3113 0.3996
3078MeOH Me1 9232 0.615 2.451 1.495 -0.6721 0.2485 0.1664
3078MeOH O2 9233 0.545 2.325 1.445 -0.0970 0.0394 -0.1214
3078MeOH H3 9234 0.482 2.293 1.516 -0.1386 -0.2770 -0.2980
3079MeOH Me1 9235 2.974 0.757 1.727 -0.5380 0.3488 0.1172
3079MeOH O2 9236 2.972 0.899 1.669 -0.1621 0.1457 -0.4019
3079MeOH H3 9237 2.878 0.920 1.641 -0.3241 0.6747 0.4908
3080MeOH Me1 9238 4.893 3.473 7.990 -0.3091 -0.0144 0.2060
3080MeOH O2 9239 4.883 3.617 8.040 -0.5815 0.0451 -0.0208
3080MeOH H3 9240 4.786 3.639 8.054 -0.5788 -0.4580 0.9184
3081MeOH Me1 9241 2.006 1.589 3.349 0.3208 0.2827 0.4533
3081MeOH O2 9242 1.896 1.540 3.444 0.2148 0.1484 0.2625
3081MeOH H3 9243 1.854 1.459 3.404 0.1611 0.2875 0.0298
3082MeOH Me1 9244 4.901 3.269 4.883 -0.0258 0.1743 0.0562
3082MeOH O2 9245 4.944 3.213 4.747 -0.7153 0.0099 -0.0941
3082MeOH H3 9246 4.866 3.163 4.708 -1.8018 2.1481 -0.8280
3083MeOH Me1 9247 2.248 3.054 4.444 0.3299 -0.0061 -0.0073
3083MeOH O2 9248 2.385 3.024 4.382 0.0328 0.0770 -0.7149
3083MeOH H3 9249 2.419 2.938 4.420 1.7965 1.7227 1.7436
3084MeOH Me1 9250 4.221 4.246 1.238 0.0659 -0.1150 -0.3219
3084MeOH O2 9251 4.271 4.106 1.274 -0.0110 0.0331 0.3725
3084MeOH H3 9252 4.330 4.112 1.354 0.9543 0.5638 -0.3569
3085MeOH Me1 9253 1.755 2.164 29.189 0.5715 0.3879 -0.1839
3085MeOH O2 9254 1.767 2.159 29.342 0.5268 -0.5217 -0.1983
3085MeOH H3 9255 1.718 2.080 29.375 -0.7967 0.1252 -0.5555
3086MeOH Me1 9256 2.900 3.095 11.077 0.3654 -0.2662 -0.1956
3086MeOH O2 9257 2.956 3.067 10.937 0.2238 0.6942 -0.4550
3086MeOH H3 9258 2.886 3.089 10.870 -1.3427 -2.4698 -0.0642
3087MeOH Me1 9259 2.262 1.136 30.030 0.4857 -0.5261 -0.1221
3087MeOH O2 9260 2.213 1.124 29.886 0.1773 0.2887 -0.0881
3087MeOH H3 9261 2.212 1.215 29.845 1.1608 0.3795 0.0810
3088MeOH Me1 9262 4.581 1.412 8.882 -0.3285 -0.2340 -0.3892
3088MeOH O2 9263 4.475 1.502 8.819 -0.2542 0.4314 0.4144
3088MeOH H3 9264 4.471 1.587 8.870 -0.5584 -0.2272 1.5235
3089MeOH Me1 9265 4.190 2.806 0.328 0.2382 0.0370 -0.6467
3089MeOH O2 9266 4.040 2.800 0.358 0.3323 -0.4585 -0.2472
3089MeOH H3 9267 3.990 2.823 0.274 0.0117 -1.4615 -0.3467
3090MeOH Me1 9268 3.373 1.010 10.019 -0.2159 -0.0072 -0.4260
3090MeOH O2 9269 3.283 0.901 9.962 -0.1776 -0.0184 -0.4656
3090MeOH H3 9270 3.331 0.855 9.888 -0.5145 0.6454 -1.1056
3091MeOH Me1 9271 0.596 3.300 3.091 0.3502 0.6208 0.1002
3091MeOH O2 9272 0.509 3.418 3.134 -0.1440 0.2716 0.0649
3091MeOH H3 9273 0.531 3.441 3.229 -2.1601 -1.3407 1.0144
3092MeOH Me1 9274 3.774 1.276 4.722 -0.3863 0.2315 0.0912
3092MeOH O2 9275 3.648 1.362 4.706 -0.4500 0.0534 -0.3960
3092MeOH H3 9276 3.676 1.458 4.699 -0.3980 -0.0807 -2.6716
3093MeOH Me1 9277 2.868 1.900 5.756 -0.3568 0.7137 -0.4331
3093MeOH O2 9278 2.990 1.836 5.823 -0.3201 0.2362 -0.9715
3093MeOH H3 9279 3.063 1.903 5.826 -1.4118 1.5058 2.5639
3094MeOH Me1 9280 2.892 3.881 3.604 -0.1730 0.7146 0.3057
3094MeOH O2 9281 3.032 3.873 3.666 0.0961 0.0747 -0.3676
3094MeOH H3 9282 3.026 3.819 3.750 -0.5716 3.2230 1.7959
3095MeOH Me1 9283 4.322 0.470 8.122 -0.5427 0.1261 -0.1028
3095MeOH O2 9284 4.412 0.378 8.040 -0.4564 -0.0943 0.2334
3095MeOH H3 9285 4.358 0.298 8.011 -0.0674 -0.8651 1.5339
3096MeOH Me1 9286 0.954 1.523 10.630 -0.5624 0.6715 0.1679
3096MeOH O2 9287 0.983 1.404 10.539 -0.0381 1.0439 -0.1563
3096MeOH H3 9288 0.987 1.321 10.595 -0.8262 0.7479 -0.5273
3097MeOH Me1 9289 3.354 3.098 0.925 0.0203 0.7219 -0.3988
3097MeOH O2 9290 3.467 3.086 1.028 0.2033 -0.3003 -0.7053
3097MeOH H3 9291 3.426 3.086 1.119 0.4794 0.5525 -0.5776
3098MeOH Me1 9292 0.530 0.002 9.667 0.1230 -0.2034 0.5542
3098MeOH O2 9293 0.663 0.065 9.624 -0.0349 -0.2953 -0.0855
3098MeOH H3 9294 0.726 0.059 9.701 0.4975 -0.8077 -0.5568
3099MeOH Me1 9295 4.441 0.179 29.266 0.0672 -0.1097 0.2030
3099MeOH O2 9296 4.302 0.136 29.218 -0.2146 0.4703 0.5057
3099MeOH H3 9297 4.310 0.102 29.124 -0.7094 1.1782 0.2006
3100MeOH Me1 9298 4.632 0.255 8.819 -0.4282 -0.7473 -0.0624
3100MeOH O2 9299 4.739 0.290 8.716 -0.2851 0.2094 0.4061
3100MeOH H3 9300 4.694 0.303 8.627 0.1161 -1.4498 -0.0696
3101MeOH Me1 9301 0.555 3.191 2.599 0.0655 0.2767 -0.3515
3101MeOH O2 9302 0.413 3.227 2.555 -0.1850 -0.4779 -0.1696
3101MeOH H3 9303 0.381 3.302 2.613 -0.4168 -0.4789 -0.2992
3102MeOH Me1 9304 0.369 0.353 3.779 -0.0019 -0.0426 -0.3396
3102MeOH O2 9305 0.421 0.494 3.755 -0.4022 0.2130 0.2708
3102MeOH H3 9306 0.343 0.557 3.753 -0.6834 -0.1420 -0.4803
3103MeOH Me1 9307 4.035 1.999 0.135 -0.0825 -0.8154 0.3208
3103MeOH O2 9308 4.133 1.989 0.252 0.1720 0.1680 0.1994
3103MeOH H3 9309 4.085 2.013 0.336 -0.1884 -1.1043 0.3786
3104MeOH Me1 9310 2.057 3.337 1.084 0.3224 0.1019 -0.6525
3104MeOH O2 9311 1.950 3.236 1.041 -0.0614 0.3069 -0.2026
3104MeOH H3 9312 1.985 3.144 1.058 -0.4892 0.2556 0.3851
3105MeOH Me1 9313 0.724 3.414 1.086 -0.0354 -0.4482 0.6932
3105MeOH O2 9314 0.624 3.443 1.198 -0.2240 -0.4568 0.5290
3105MeOH H3 9315 0.672 3.492 1.271 -0.4295 -0.1585 0.4620
3106MeOH Me1 9316 3.409 0.489 4.210 -0.3013 -0.3465 0.9009
3106MeOH O2 9317 3.352 0.608 4.288 -0.3066 0.1640 0.1366
3106MeOH H3 9318 3.261 0.583 4.322 0.4531 -0.3663 1.9296
3107MeOH Me1 9319 1.868 1.319 1.667 -0.7172 0.3609 0.0487
3107MeOH O2 9320 1.758 1.384 1.584 -0.3668 0.1486 -0.5918
3107MeOH H3 9321 1.799 1.420 1.500 0.0693 0.3137 -0.3135
3108MeOH Me1 9322 1.790 0.261 5.533 -0.3845 -0.3119 -0.6648
3108MeOH O2 9323 1.911 0.201 5.460 0.2487 -0.0400 0.1267
3108MeOH H3 9324 1.919 0.245 5.371 -0.1434 -1.0452 -0.4164
3109MeOH Me1 9325 3.034 3.598 6.533 0.1139 0.6342 0.0426
3109MeOH O2 9326 2.988 3.646 6.671 0.0189 0.5066 0.0560
3109MeOH H3 9327 3.057 3.709 6.707 0.0502 0.3817 0.2122
3110MeOH Me1 9328 3.136 4.812 7.873 0.0205 0.0440 -0.0615
3110MeOH O2 9329 3.193 4.882 7.749 0.3813 0.1022 0.1334
3110MeOH H3 9330 3.245 4.815 7.696 -0.2451 -0.1160 -0.2287
3111MeOH Me1 9331 3.146 1.417 2.043 0.4252 0.6242 -0.1141
3111MeOH O2 9332 3.252 1.343 1.961 0.3198 -0.4096 0.6622
3111MeOH H3 9333 3.221 1.338 1.866 -0.2567 -2.4651 0.9098
3112MeOH Me1 9334 4.420 0.767 9.707 0.7556 0.0355 0.4999
3112MeOH O2 9335 4.488 0.788 9.572 -0.1861 -0.0508 -0.0005
3112MeOH H3 9336 4.538 0.875 9.576 1.9214 -1.2178 0.4973
3113MeOH Me1 9337 1.731 2.460 6.706 -0.4323 0.2811 0.3056
3113MeOH O2 9338 1.815 2.413 6.824 0.3490 0.7805 -0.0333
3113MeOH H3 9339 1.785 2.321 6.850 -0.4025 1.3870 1.3778
3114MeOH Me1 9340 3.811 0.269 6.853 0.6055 0.0353 0.2797
3114MeOH O2 9341 3.735 0.395 6.895 0.4184 -0.1303 0.4338
3114MeOH H3 9342 3.646 0.367 6.934 -0.2726 -0.2362 -1.1623
3115MeOH Me1 9343 4.162 0.277 7.323 0.0418 0.0690 -0.1605
3115MeOH O2 9344 4.227 0.280 7.185 -0.2126 0.1455 -0.2800
3115MeOH H3 9345 4.288 0.200 7.177 0.5444 0.6906 -0.0569
3116MeOH Me1 9346 1.827 3.511 0.378 -0.2823 -0.1792 0.0283
3116MeOH O2 9347 1.818 3.369 0.434 -0.2375 -0.1307 0.1603
3116MeOH H3 9348 1.799 3.374 0.532 2.1689 -0.0005 0.6839
3117MeOH Me1 9349 3.330 1.245 8.897 -0.4567 0.1866 -0.2029
3117MeOH O2 9350 3.235 1.156 8.979 0.1131 -0.6639 -0.4539
3117MeOH H3 9351 3.240 1.063 8.942 0.1635 -0.3764 -1.2021
3118MeOH Me1 9352 2.526 4.787 6.433 -0.1247 0.5936 0.5772
3118MeOH O2 9353 2.614 4.901 6.483 0.4371 0.3298 0.1934
3118MeOH H3 9354 2.662 4.941 6.405 0.8972 -0.3880 0.1013
3119MeOH Me1 9355 3.067 1.450 10.698 0.3230 0.1220 -0.2267
3119MeOH O2 9356 2.921 1.403 10.699 0.3255 0.1168 -0.0731
3119MeOH H3 9357 2.864 1.478 10.668 0.2816 0.1394 0.0603
3120MeOH Me1 9358 0.904 1.733 3.685 0.3884 -0.5455 -0.0697
3120MeOH O2 9359 0.986 1.728 3.814 0.2836 0.1107 0.0237
3120MeOH H3 9360 1.072 1.778 3.798 0.3118 0.0020 -0.1723
3121MeOH Me1 9361 0.831 2.721 5.318 -0.7135 0.4815 -0.4056
3121MeOH O2 9362 0.807 2.570 5.319 0.1439 0.3365 -0.7622
3121MeOH H3 9363 0.717 2.552 5.361 0.6861 -0.3341 0.1473
3122MeOH Me1 9364 4.149 1.335 8.882 0.5128 -0.3113 0.1974
3122MeOH O2 9365 4.215 1.391 9.008 -0.2459 0.3222 0.3211
3122MeOH H3 9366 4.166 1.474 9.035 0.4865 1.3121 -1.2404
3123MeOH Me1 9367 4.058 0.320 8.274 0.3834 0.4567 -0.7319
3123MeOH O2 9368 4.104 0.423 8.377 -0.1320 -0.0226 -0.0123
3123MeOH H3 9369 4.113 0.377 8.466 0.3115 -0.6675 -0.3746
3124MeOH Me1 9370 1.867 4.172 8.205 0.3661 -0.3702 -0.1968
3124MeOH O2 9371 1.888 4.162 8.054 -0.2233 -0.1923 -0.2946
3124MeOH H3 9372 1.885 4.066 8.027 -1.9210 -0.0884 -0.6288
3125MeOH Me1 9373 3.042 1.725 1.591 0.2474 0.5428 -0.7682
3125MeOH O2 9374 3.162 1.630 1.589 -0.2983 -0.1734 -0.0094
3125MeOH H3 9375 3.158 1.575 1.505 0.2303 0.2888 -0.3473
3126MeOH Me1 9376 1.534 0.160 10.200 0.2202 0.4711 -0.3070
3126MeOH O2 9377 1.585 0.056 10.100 -0.2352 -0.0776 0.0235
3126MeOH H3 9378 1.648 -0.006 10.147 -0.6146 -0.2891 0.2523
3127MeOH Me1 9379 2.198 3.764 5.139 0.2198 -0.2210 -0.2641
3127MeOH O2 9380 2.198 3.663 5.254 0.5105 0.3101 0.2119
3127MeOH H3 9381 2.103 3.648 5.282 0.4626 -0.5715 -0.3698
3128MeOH Me1 9382 4.282 2.311 9.134 0.5468 -0.3285 0.0085
3128MeOH O2 9383 4.385 2.352 9.029 -0.0827 0.0749 -0.4571
3128MeOH H3 9384 4.426 2.438 9.057 -0.1640 0.1446 -0.5519
3129MeOH Me1 9385 4.974 2.007 6.241 -0.1856 -0.3787 -0.7190
3129MeOH O2 9386 4.991 1.883 6.330 0.5146 -0.3566 -0.8184
3129MeOH H3 9387 4.900 1.845 6.350 0.6354 -0.1755 0.1515
3130MeOH Me1 9388 1.439 4.295 2.221 -0.1433 -0.5380 -0.0305
3130MeOH O2 9389 1.551 4.385 2.274 -0.0714 -0.4889 -0.2680
3130MeOH H3 9390 1.611 4.331 2.332 -0.4598 -0.2463 0.3723
3131MeOH Me1 9391 2.234 3.257 10.369 -0.0274 -0.3556 -0.1643
3131MeOH O2 9392 2.123 3.226 10.268 -0.4213 -0.6528 0.3541
3131MeOH H3 9393 2.149 3.264 10.179 -1.1029 -0.2614 0.3136
3132MeOH Me1 9394 2.208 0.764 1.601 0.0812 0.1225 -0.1510
3132MeOH O2 9395 2.182 0.897 1.672 0.2733 0.0928 -0.0238
3132MeOH H3 9396 2.232 0.897 1.758 3.3438 1.4134 -1.6380
3133MeOH Me1 9397 4.910 0.655 0.848 -0.0998 0.2754 -0.1185
3133MeOH O2 9398 4.946 0.671 0.701 0.2762 0.2398 -0.0296
3133MeOH H3 9399 4.959 0.768 0.681 0.3766 0.2307 -0.0098
3134MeOH Me1 9400 2.451 0.941 6.709 -0.1989 0.0333 0.8149
3134MeOH O2 9401 2.601 0.916 6.700 -0.2136 0.2874 -0.1837
3134MeOH H3 9402 2.627 0.914 6.603 -1.1577 -1.4801 -0.4469
3135MeOH Me1 9403 3.219 3.287 11.045 0.3708 0.6745 -0.7086
3135MeOH O2 9404 3.275 3.162 10.977 0.3865 0.0508 0.4231
3135MeOH H3 9405 3.198 3.106 10.945 0.3736 0.7813 -0.9025
3136MeOH Me1 9406 0.683 2.215 2.576 0.0316 0.1928 0.6622
3136MeOH O2 9407 0.638 2.130 2.695 -0.4874 -0.1541 0.2192
3136MeOH H3 9408 0.551 2.086 2.671 -0.1893 -0.4088 -0.4442
3137MeOH Me1 9409 3.763 3.797 1.626 -0.0468 -0.1331 0.6385
3137MeOH O2 9410 3.808 3.656 1.589 0.1625 0.1212 -0.0975
3137MeOH H3 9411 3.908 3.653 1.589 0.2068 0.7275 -1.8866
3138MeOH Me1 9412 1.963 2.694 0.129 -0.0164 0.0008 -0.0668
3138MeOH O2 9413 1.840 2.708 0.219 0.3071 -0.0086 0.3842
3138MeOH H3 9414 1.866 2.758 0.301 0.7352 -0.4893 0.5512
3139MeOH Me1 9415 4.819 1.456 2.316 0.1954 0.1556 0.0813
3139MeOH O2 9416 4.810 1.324 2.239 0.1586 0.3244 -0.2044
3139MeOH H3 9417 4.732 1.329 2.176 -0.5358 0.0568 0.6193
3140MeOH Me1 9418 1.725 1.346 9.096 0.1865 -0.1388 0.1717
3140MeOH O2 9419 1.700 1.361 9.247 0.0623 0.2829 0.1086
3140MeOH H3 9420 1.606 1.393 9.260 -0.4182 -1.0197 -0.0069
3141MeOH Me1 9421 1.627 1.507 8.357 0.3113 -0.0583 -0.3437
3141MeOH O2 9422 1.736 1.512 8.250 0.5078 0.1948 -0.1321
3141MeOH H3 9423 1.712 1.447 8.178 -0.2956 1.6418 -1.2132
3142MeOH Me1 9424 1.991 4.217 1.149 -0.3749 0.4676 -0.0137
3142MeOH O2 9425 2.038 4.197 1.293 -0.0178 0.2213 -0.1641
3142MeOH H3 9426 2.138 4.198 1.294 0.0260 2.8639 -0.0586
3143MeOH Me1 9427 4.392 4.673 5.099 0.0384 -0.0079 -0.2113
3143MeOH O2 9428 4.457 4.635 4.966 0.1247 -0.3031 -0.0870
3143MeOH H3 9429 4.474 4.719 4.914 -0.0108 -0.4305 -0.3412
3144MeOH Me1 9430 2.137 1.349 6.605 0.0354 -0.2881 -0.1883
3144MeOH O2 9431 2.245 1.304 6.507 -0.2894 -0.1390 -0.6189
3144MeOH H3 9432 2.285 1.385 6.464 0.4448 0.0236 0.3124
3145MeOH Me1 9433 0.282 3.998 3.683 -0.4231 0.3790 -0.4864
3145MeOH O2 9434 0.214 3.896 3.774 0.0789 0.5657 0.1081
3145MeOH H3 9435 0.164 3.945 3.845 1.1881 0.6946 0.8159
3146MeOH Me1 9436 0.256 1.176 0.052 0.2546 0.8386 -0.7205
3146MeOH O2 9437 0.405 1.160 0.020 0.4492 0.0519 0.5002
3146MeOH H3 9438 0.448 1.250 0.022 0.9987 -0.2145 1.2230
3147MeOH Me1 9439 0.375 4.177 9.379 0.5833 0.0356 -0.0909
3147MeOH O2 9440 0.372 4.273 9.498 -0.2171 -0.1284 0.0230
3147MeOH H3 9441 0.279 4.274 9.535 -0.9752 1.2866 -1.7936
3148MeOH Me1 9442 3.566 4.705 5.232 -0.4969 0.4332 0.3104
3148MeOH O2 9443 3.655 4.779 5.332 0.2730 -0.1118 0.0331
3148MeOH H3 9444 3.742 4.729 5.340 0.1943 -0.3643 -0.6219
3149MeOH Me1 9445 4.808 3.446 6.109 0.4735 0.3120 -0.0656
3149MeOH O2 9446 4.725 3.434 6.237 0.1414 -0.2455 -0.3306
3149MeOH H3 9447 4.726 3.522 6.284 0.2015 -0.5075 0.1656
3150MeOH Me1 9448 2.259 1.367 9.302 0.2197 -0.5824 0.1147
3150MeOH O2 9449 2.194 1.269 9.204 -0.1953 0.1463 -0.3506
3150MeOH H3 9450 2.162 1.189 9.256 -1.5218 0.5208 -0.5626
3151MeOH Me1 9451 0.409 2.023 1.334 -0.0086 -0.1603 -0.3172
3151MeOH O2 9452 0.493 1.981 1.213 -0.5347 0.5796 -0.9615
3151MeOH H3 9453 0.584 1.956 1.245 -0.2461 0.8330 -1.5720
3152MeOH Me1 9454 1.432 4.744 2.256 -0.0461 0.0127 0.3287
3152MeOH O2 9455 1.470 4.848 2.151 -0.1066 -0.2667 0.0316
3152MeOH H3 9456 1.386 4.882 2.108 -0.0391 -2.3913 -1.9681
3153MeOH Me1 9457 4.114 4.809 8.901 0.5598 0.4067 -0.0970
3153MeOH O2 9458 4.108 4.855 9.047 0.0037 0.3924 -0.1144
3153MeOH H3 9459 4.141 4.780 9.105 -2.8140 -0.6752 0.2494
3154MeOH Me1 9460 4.013 3.012 1.187 0.4393 -0.1305 0.7653
3154MeOH O2 9461 3.960 2.871 1.157 0.0349 0.0715 0.5117
3154MeOH H3 9462 4.024 2.826 1.095 0.2037 -0.2019 0.8776
3155MeOH Me1 9463 0.324 1.474 29.807 0.0919 0.0745 0.2901
3155MeOH O2 9464 0.382 1.514 29.943 0.1325 0.7295 0.0829
3155MeOH H3 9465 0.390 1.614 29.946 -0.7299 0.8131 -0.0531
3156MeOH Me1 9466 4.487 3.063 29.209 -0.2777 0.1889 0.0893
3156MeOH O2 9467 4.503 3.136 29.342 1.0406 0.0611 0.0179
3156MeOH H3 9468 4.554 3.078 29.405 -0.5036 -1.0833 0.2683
3157MeOH Me1 9469 0.908 4.732 3.803 -0.3919 -0.1162 0.1952
3157MeOH O2 9470 0.886 4.843 3.701 0.3924 0.0326 0.1844
3157MeOH H3 9471 0.904 4.806 3.609 0.7829 0.0803 0.2400
3158MeOH Me1 9472 2.968 4.356 10.692 0.1956 0.5065 -0.2523
3158MeOH O2 9473 3.002 4.441 10.570 0.1505 0.2140 -0.4691
3158MeOH H3 9474 3.084 4.403 10.527 0.3920 0.3649 -0.1547
3159MeOH Me1 9475 3.067 3.339 7.121 -0.2045 -0.1558 0.0007
3159MeOH O2 9476 2.920 3.380 7.110 -0.0443 0.2814 -0.6205
3159MeOH H3 9477 2.910 3.473 7.145 0.0175 0.1530 -0.2513
3160MeOH Me1 9478 3.306 2.151 0.753 -0.0675 -0.4598 -0.2412
3160MeOH O2 9479 3.177 2.098 0.816 -0.0625 0.2475 0.3804
3160MeOH H3 9480 3.172 2.131 0.910 2.8679 -3.2830 2.0538
3161MeOH Me1 9481 2.603 2.335 9.021 0.1864 0.2520 0.2441
3161MeOH O2 9482 2.454 2.328 8.987 0.2378 -0.1237 0.0816
3161MeOH H3 9483 2.414 2.418 9.003 0.1869 0.0310 -0.8753
3162MeOH Me1 9484 4.676 1.610 3.270 0.1037 0.2991 0.1824
3162MeOH O2 9485 4.653 1.721 3.167 0.4327 -0.2328 -0.4716
3162MeOH H3 9486 4.621 1.679 3.082 -1.6302 -0.4777 0.3786
3163MeOH Me1 9487 4.251 3.697 5.094 -0.0599 0.4572 0.1771
3163MeOH O2 9488 4.173 3.598 5.180 -0.1068 0.3503 0.0107
3163MeOH H3 9489 4.175 3.508 5.135 1.5190 -0.0598 0.8075
3164MeOH Me1 9490 3.527 0.331 10.244 0.4525 0.1825 0.0102
3164MeOH O2 9491 3.608 0.201 10.243 0.3845 0.1404 -0.1780
3164MeOH H3 9492 3.579 0.146 10.322 1.4380 0.7147 0.6334
3165MeOH Me1 9493 1.412 4.813 5.664 -0.6402 -0.2101 -0.0191
3165MeOH O2 9494 1.484 4.864 5.789 0.0422 0.4892 -0.6833
3165MeOH H3 9495 1.580 4.882 5.766 -0.1088 0.4826 -1.3309
3166MeOH Me1 9496 3.360 2.076 10.528 0.3072 -0.0051 -0.1331
3166MeOH O2 9497 3.211 2.108 10.525 0.2257 -0.4084 -0.3929
3166MeOH H3 9498 3.191 2.173 10.597 -0.0612 -0.3847 -0.4921
3167MeOH Me1 9499 4.101 4.503 9.204 0.1267 0.6411 -0.2094
3167MeOH O2 9500 4.163 4.633 9.256 0.4212 0.4147 0.0095
3167MeOH H3 9501 4.131 4.648 9.349 -0.2702 0.7986 -0.2827
3168MeOH Me1 9502 3.143 2.991 2.654 0.4033 0.1296 -0.1502
3168MeOH O2 9503 3.227 3.117 2.679 0.5507 -0.0033 0.0291
3168MeOH H3 9504 3.316 3.105 2.634 1.0083 -0.5574 1.0474
3169MeOH Me1 9505 4.917 -0.009 4.479 0.0461 -0.6272 -0.2295
3169MeOH O2 9506 4.764 -0.019 4.467 0.0547 -0.6292 -0.3456
3169MeOH H3 9507 4.730 0.066 4.428 -0.0135 -0.2221 0.5601
3170MeOH Me1 9508 4.244 3.197 5.635 0.3345 0.3172 -0.2646
3170MeOH O2 9509 4.302 3.168 5.773 -0.6584 -0.1383 0.0688
3170MeOH H3 9510 4.386 3.221 5.784 -0.4322 -0.5975 0.6322
3171MeOH Me1 9511 0.074 4.782 9.617 0.2145 0.3438 0.0714
3171MeOH O2 9512 0.094 4.714 9.482 -0.1872 -0.6121 0.4855
3171MeOH H3 9513 0.107 4.785 9.412 -2.4596 -0.9883 -0.4260
3172MeOH Me1 9514 1.384 0.525 4.041 0.5745 0.3573 -0.0815
3172MeOH O2 9515 1.257 0.503 3.959 0.3357 -0.1124 0.4138
3172MeOH H3 9516 1.195 0.445 4.012 0.6556 -0.1629 0.7383
3173MeOH Me1 9517 2.280 4.880 0.635 0.2076 -0.5264 0.0427
3173MeOH O2 9518 2.198 4.753 0.662 -0.4525 -0.1119 -0.0028
3173MeOH H3 9519 2.132 4.741 0.588 -1.4893 1.0277 0.6910
3174MeOH Me1 9520 1.360 2.642 7.840 0.0321 -0.4326 0.2050
3174MeOH O2 9521 1.258 2.530 7.862 0.0690 -0.5880 -0.5082
3174MeOH H3 9522 1.192 2.533 7.788 0.4432 -0.5552 -0.8501
3175MeOH Me1 9523 4.595 3.640 7.805 0.3347 -0.0246 0.1048
3175MeOH O2 9524 4.603 3.634 7.957 0.5999 0.7311 0.1393
3175MeOH H3 9525 4.511 3.644 7.995 0.6366 0.6934 0.2344
3176MeOH Me1 9526 1.406 2.708 8.581 -0.2855 -0.0116 0.3703
3176MeOH O2 9527 1.311 2.786 8.672 0.2264 0.6084 0.3832
3176MeOH H3 9528 1.348 2.877 8.686 0.3961 0.6474 -0.2884
3177MeOH Me1 9529 2.868 2.758 9.839 -0.2902 0.4155 0.6283
3177MeOH O2 9530 2.852 2.910 9.846 -0.4903 0.3986 0.5652
3177MeOH H3 9531 2.840 2.935 9.942 -1.9802 0.2800 0.4315
3178MeOH Me1 9532 3.902 4.345 0.693 -0.2425 0.0609 -0.4060
3178MeOH O2 9533 3.915 4.497 0.696 -0.1572 0.0566 -0.5616
3178MeOH H3 9534 4.007 4.521 0.726 -0.9663 0.0478 2.1419
3179MeOH Me1 9535 1.975 4.076 0.273 0.0044 -0.1704 -0.4329
3179MeOH O2 9536 1.946 4.225 0.254 0.1330 -0.1341 -0.3385
3179MeOH H3 9537 1.848 4.240 0.267 0.1131 -0.0895 -0.5446
3180MeOH Me1 9538 4.255 3.400 9.909 -0.4993 -0.5836 0.0654
3180MeOH O2 9539 4.194 3.532 9.862 0.4039 -0.1724 0.0309
3180MeOH H3 9540 4.127 3.513 9.791 0.0027 0.2362 0.2934
3181MeOH Me1 9541 3.033 1.291 9.630 -0.6347 -0.0722 -0.5980
3181MeOH O2 9542 2.888 1.306 9.676 -0.3037 0.3400 0.3584
3181MeOH H3 9543 2.873 1.246 9.754 -0.4683 -1.1585 -0.7678
3182MeOH Me1 9544 2.046 0.387 4.616 0.6554 0.1715 0.0648
3182MeOH O2 9545 1.979 0.487 4.710 -0.3932 -0.2552 -0.2080
3182MeOH H3 9546 1.897 0.445 4.748 -0.3574 -0.7414 -0.6532
3183MeOH Me1 9547 1.149 2.645 0.613 -0.2995 -0.1357 -0.3358
3183MeOH O2 9548 1.059 2.758 0.664 0.3145 0.1490 0.1234
3183MeOH H3 9549 1.092 2.844 0.625 0.0705 -0.0207 -0.4580
3184MeOH Me1 9550 0.682 3.342 5.607 0.2622 -0.0484 -0.7489
3184MeOH O2 9551 0.808 3.367 5.690 0.0248 0.5281 -0.5589
3184MeOH H3 9552 0.883 3.312 5.652 0.9570 2.5965 -1.8975
3185MeOH Me1 9553 4.967 3.438 5.568 -0.0673 -0.0313 -0.0367
3185MeOH O2 9554 4.897 3.374 5.448 -0.1577 0.2248 -0.1199
3185MeOH H3 9555 4.809 3.419 5.435 0.0185 0.5442 -0.2251
3186MeOH Me1 9556 2.147 2.915 6.185 0.2631 -0.3481 -0.4875
3186MeOH O2 9557 2.037 3.008 6.134 0.1210 -0.5455 -0.5443
3186MeOH H3 9558 2.017 2.986 6.039 0.1831 -0.6054 -0.5423
3187MeOH Me1 9559 3.816 4.590 5.924 0.1885 -0.5160 0.4604
3187MeOH O2 9560 3.868 4.733 5.936 -0.8129 -0.0883 -0.1437
3187MeOH H3 9561 3.966 4.730 5.957 -0.5199 0.6856 -1.2603
3188MeOH Me1 9562 3.250 1.758 0.988 -0.1213 0.0213 0.4182
3188MeOH O2 9563 3.136 1.854 0.954 -0.1584 -0.3033 -0.4094
3188MeOH H3 9564 3.171 1.927 0.895 -0.2858 -1.0281 -1.4006
3189MeOH Me1 9565 0.414 0.285 7.224 0.1048 -0.1934 -0.1801
3189MeOH O2 9566 0.486 0.403 7.158 -0.3120 -0.2029 -0.6931
3189MeOH H3 9567 0.424 0.446 7.092 0.0296 -1.6509 -2.0186
3190MeOH Me1 9568 2.443 0.229 0.932 -0.1758 -0.6371 0.3545
3190MeOH O2 9569 2.357 0.354 0.956 0.4243 -0.0939 -0.2569
3190MeOH H3 9570 2.296 0.335 1.033 1.1619 1.0053 0.6304
3191MeOH Me1 9571 0.882 3.180 3.689 0.1122 0.6477 -0.1085
3191MeOH O2 9572 0.822 3.278 3.790 0.5579 0.7146 0.0982
3191MeOH H3 9573 0.723 3.260 3.796 0.5866 0.6935 0.5718
3192MeOH Me1 9574 4.675 5.008 9.661 0.4487 -0.5850 0.4013
3192MeOH O2 9575 4.623 4.873 9.613 -1.2382 0.2866 -0.3004
3192MeOH H3 9576 4.603 4.880 9.515 0.8303 0.5006 -0.7650
3193MeOH Me1 9577 1.827 3.779 5.627 0.1326 -0.5079 -0.0631
3193MeOH O2 9578 1.928 3.665 5.644 -0.1088 -0.6612 0.3490
3193MeOH H3 9579 1.964 3.669 5.737 -1.4547 -1.5235 0.9427
3194MeOH Me1 9580 1.304 0.040 29.960 0.2160 0.1615 0.8705
3194MeOH O2 9581 1.331 0.190 29.953 -0.1971 0.1892 -0.3837
3194MeOH H3 9582 1.430 0.205 29.959 -0.2993 0.5548 0.6842
3195MeOH Me1 9583 4.111 0.481 7.718 0.2260 -0.0518 -0.3463
3195MeOH O2 9584 4.088 0.335 7.756 -0.2950 0.0544 -0.2402
3195MeOH H3 9585 4.009 0.330 7.816 -0.9209 0.2669 -1.0186
3196MeOH Me1 9586 1.697 3.307 3.884 -0.2101 -0.0470 -0.2986
3196MeOH O2 9587 1.590 3.387 3.959 0.1036 0.4435 -0.3682
3196MeOH H3 9588 1.552 3.329 4.031 0.0089 0.7240 -0.1885
3197MeOH Me1 9589 4.916 1.937 2.329 0.5030 -0.0670 0.2568
3197MeOH O2 9590 4.792 1.872 2.391 0.4322 -0.0173 0.1512
3197MeOH H3 9591 4.773 1.916 2.479 0.7697 -0.4644 0.4538
3198MeOH Me1 9592 0.964 4.423 3.506 0.3571 -0.3035 0.0343
3198MeOH O2 9593 0.963 4.467 3.359 0.6718 -0.3844 0.0053
3198MeOH H3 9594 1.044 4.429 3.314 0.2755 -1.1891 -0.0429
3199MeOH Me1 9595 3.444 3.438 10.757 -0.5135 -0.1593 0.0747
3199MeOH O2 9596 3.456 3.511 10.891 0.6378 -0.3932 0.1142
3199MeOH H3 9597 3.478 3.444 10.962 1.0639 -0.5465 -0.1640
3200MeOH Me1 9598 2.991 0.417 7.208 0.1325 -0.0055 0.2700
3200MeOH O2 9599 2.950 0.500 7.330 -0.0018 0.3633 -0.0257
3200MeOH H3 9600 2.890 0.444 7.387 2.3451 -0.5617 1.6372
3201MeOH Me1 9601 2.868 3.310 2.391 -0.4309 0.3812 -0.0888
3201MeOH O2 9602 2.760 3.202 2.393 -0.5001 0.4526 0.0790
3201MeOH H3 9603 2.804 3.113 2.381 -0.3797 0.2486 1.7405
3202MeOH Me1 9604 4.243 2.144 1.784 0.0201 -0.2812 0.0265
3202MeOH O2 9605 4.378 2.212 1.804 -0.0745 -0.0190 -0.2098
3202MeOH H3 9606 4.363 2.310 1.819 -0.4685 -0.3891 2.3545
3203MeOH Me1 9607 1.726 0.624 3.346 -0.7130 -0.0586 0.4413
3203MeOH O2 9608 1.730 0.628 3.193 0.4893 0.4413 0.4749
3203MeOH H3 9609 1.691 0.544 3.157 2.1293 -0.1152 -0.1165
3204MeOH Me1 9610 2.614 2.757 6.269 0.0500 0.0715 -0.2798
3204MeOH O2 9611 2.624 2.798 6.416 -0.1022 0.8915 -0.4927
3204MeOH H3 9612 2.595 2.894 6.424 0.0348 0.9890 -1.0761
3205MeOH Me1 9613 3.973 4.037 11.316 -0.2015 -0.2960 0.1834
3205MeOH O2 9614 3.840 3.978 11.360 -0.5940 0.2935 -0.1910
3205MeOH H3 9615 3.840 3.880 11.339 -1.1920 0.4001 -0.7068
3206MeOH Me1 9616 2.352 2.103 4.908 -0.5684 0.3140 -0.4352
3206MeOH O2 9617 2.492 2.100 4.848 -0.1784 -0.0003 0.4821
3206MeOH H3 9618 2.551 2.042 4.905 -0.6089 0.0733 1.0008
3207MeOH Me1 9619 2.966 2.078 4.096 0.3683 -0.3882 -0.0880
3207MeOH O2 9620 2.918 2.185 4.195 0.1499 -0.2822 -0.3031
3207MeOH H3 9621 2.933 2.275 4.154 1.8852 -0.2417 0.3460
3208MeOH Me1 9622 2.940 0.480 6.173 0.0337 0.2748 -0.0059
3208MeOH O2 9623 2.836 0.484 6.285 0.2206 0.2595 0.1685
3208MeOH H3 9624 2.749 0.515 6.247 -0.7322 -2.8034 -0.4021
3209MeOH Me1 9625 4.272 4.646 0.881 0.2550 -0.1276 -0.7806
3209MeOH O2 9626 4.154 4.563 0.830 0.0374 -0.2740 -0.0565
3209MeOH H3 9627 4.167 4.468 0.858 -0.6704 0.0801 1.5655
3210MeOH Me1 9628 2.871 0.351 29.778 0.2037 -0.3348 -0.8235
3210MeOH O2 9629 2.778 0.230 29.790 -0.0309 -0.1498 -0.7637
3210MeOH H3 9630 2.831 0.147 29.770 -0.6747 -0.1095 -2.8129
3211MeOH Me1 9631 3.477 4.630 29.875 -0.3273 -0.1145 0.5165
3211MeOH O2 9632 3.371 4.581 29.776 0.5145 -0.4470 -0.2369
3211MeOH H3 9633 3.411 4.511 29.717 1.2325 -0.1029 -0.1569
3212MeOH Me1 9634 0.137 2.444 2.542 -0.1925 0.1688 0.4567
3212MeOH O2 9635 0.143 2.480 2.393 -0.3419 -0.0064 0.4080
3212MeOH H3 9636 0.051 2.474 2.356 -0.0329 -2.7491 -0.1440
3213MeOH Me1 9637 4.298 2.372 2.196 -0.9125 0.6565 0.0218
3213MeOH O2 9638 4.250 2.349 2.053 0.3769 0.5657 -0.4103
3213MeOH H3 9639 4.150 2.354 2.051 0.1817 -1.9713 -0.8166
3214MeOH Me1 9640 3.356 3.116 1.703 -0.0872 0.0673 0.1899
3214MeOH O2 9641 3.307 3.169 1.838 -0.3480 -0.0359 0.1375
3214MeOH H3 9642 3.247 3.100 1.878 -0.2131 -0.1752 0.1035
3215MeOH Me1 9643 2.862 1.550 3.321 0.3215 0.1563 0.5308
3215MeOH O2 9644 2.960 1.655 3.269 -0.3021 0.5370 0.1215
3215MeOH H3 9645 3.049 1.639 3.311 0.3835 -0.1434 -1.4945
3216MeOH Me1 9646 2.828 0.820 6.385 -0.2144 -0.3809 -0.9054
3216MeOH O2 9647 2.709 0.890 6.451 0.2231 -0.8192 0.3770
3216MeOH H3 9648 2.665 0.949 6.383 0.5322 0.6473 1.3995
3217MeOH Me1 9649 1.699 0.798 5.267 -0.0049 -0.2861 0.3679
3217MeOH O2 9650 1.739 0.663 5.327 0.9888 -0.1735 -0.0324
3217MeOH H3 9651 1.656 0.611 5.346 1.2352 0.0760 1.9520
3218MeOH Me1 9652 0.641 0.865 6.896 0.1166 -0.2932 -0.0425
3218MeOH O2 9653 0.759 0.948 6.845 -0.0998 0.0125 -0.0494
3218MeOH H3 9654 0.769 1.028 6.903 -0.8670 0.5167 -0.5854
3219MeOH Me1 9655 0.099 0.772 8.638 0.3477 0.0351 0.0764
3219MeOH O2 9656 0.137 0.627 8.668 0.1839 0.0333 0.2672
3219MeOH H3 9657 0.053 0.577 8.692 0.1937 0.2815 0.8379
3220MeOH Me1 9658 2.224 1.143 5.713 -0.3081 0.2491 -0.3084
3220MeOH O2 9659 2.296 1.277 5.697 -0.1328 0.2011 0.0494
3220MeOH H3 9660 2.233 1.350 5.721 0.0616 0.2047 0.5432
3221MeOH Me1 9661 2.052 2.781 5.849 0.9287 0.2393 0.5890
3221MeOH O2 9662 1.976 2.911 5.873 0.7690 0.3573 -0.4944
3221MeOH H3 9663 1.884 2.902 5.834 1.5634 0.8160 -2.5854
3222MeOH Me1 9664 1.367 3.765 4.122 0.4493 0.4685 -0.6206
3222MeOH O2 9665 1.331 3.913 4.131 0.2890 0.3736 0.5232
3222MeOH H3 9666 1.334 3.952 4.039 0.5112 1.1394 0.8449
3223MeOH Me1 9667 3.480 4.447 5.624 0.0764 0.1068 -0.2849
3223MeOH O2 9668 3.523 4.427 5.769 -0.6844 0.2326 -0.0386
3223MeOH H3 9669 3.558 4.334 5.780 1.4446 0.9337 -0.3544
3224MeOH Me1 9670 3.977 0.230 5.321 0.0731 -0.3187 -0.0458
3224MeOH O2 9671 3.836 0.211 5.379 0.0519 0.1049 0.0448
3224MeOH H3 9672 3.844 0.185 5.475 0.0659 -0.8840 -0.2187
3225MeOH Me1 9673 4.826 1.701 8.737 -0.4253 -0.0777 0.0989
3225MeOH O2 9674 4.773 1.680 8.879 0.1676 -0.5676 0.2545
3225MeOH H3 9675 4.688 1.732 8.889 0.1812 -0.6377 0.7721
3226MeOH Me1 9676 4.114 3.447 7.503 0.3114 0.2173 -0.6051
3226MeOH O2 9677 4.115 3.345 7.388 -0.1402 -0.7783 0.2422
3226MeOH H3 9678 4.210 3.326 7.364 -0.2387 -0.7281 -0.1784
3227MeOH Me1 9679 2.505 1.452 2.664 0.5905 0.3479 0.4097
3227MeOH O2 9680 2.585 1.354 2.750 0.3625 -0.5199 -0.3479
3227MeOH H3 9681 2.646 1.302 2.690 1.2486 0.7695 -0.6190
3228MeOH Me1 9682 0.377 1.581 0.502 -0.1891 -0.0105 -0.3549
3228MeOH O2 9683 0.385 1.733 0.487 -0.1548 -0.0726 -0.9964
3228MeOH H3 9684 0.352 1.775 0.572 -1.9984 0.3228 -1.8457
3229MeOH Me1 9685 4.144 3.501 0.655 0.0786 -0.3480 -0.1763
3229MeOH O2 9686 4.251 3.605 0.622 -0.1342 -0.0296 0.1227
3229MeOH H3 9687 4.338 3.574 0.660 0.0658 -0.2618 -0.5213
3230MeOH Me1 9688 0.414 1.000 10.287 -0.5474 0.3927 0.0149
3230MeOH O2 9689 0.337 0.873 10.253 0.1142 0.0869 -0.3716
3230MeOH H3 9690 0.394 0.794 10.276 -0.2392 0.2864 1.3373
3231MeOH Me1 9691 0.745 3.005 1.243 -0.2788 -0.0195 -0.0042
3231MeOH O2 9692 0.884 2.946 1.219 -0.3259 -0.1749 0.0969
3231MeOH H3 9693 0.950 2.998 1.274 0.1417 1.7755 -2.1002
3232MeOH Me1 9694 3.292 4.877 0.548 0.0566 0.1978 0.6476
3232MeOH O2 9695 3.292 4.940 0.687 -0.0621 0.0726 0.7048
3232MeOH H3 9696 3.208 4.914 0.734 -1.0073 1.5826 -0.0902
3233MeOH Me1 9697 3.723 3.182 8.056 -0.1155 0.0611 0.1577
3233MeOH O2 9698 3.650 3.161 7.923 0.3548 0.2555 -0.1341
3233MeOH H3 9699 3.702 3.097 7.868 1.2156 1.3129 -0.5700
3234MeOH Me1 9700 1.152 2.680 1.053 -0.2415 0.1091 -0.0397
3234MeOH O2 9701 1.156 2.780 0.938 -0.2486 0.1743 0.0168
3234MeOH H3 9702 1.104 2.742 0.861 -0.6865 0.4434 0.1792
3235MeOH Me1 9703 0.610 3.053 7.106 -0.8207 0.1495 0.2558
3235MeOH O2 9704 0.556 2.917 7.063 -0.8103 0.2891 -0.2037
3235MeOH H3 9705 0.457 2.916 7.075 -1.0536 0.8604 -1.8847
3236MeOH Me1 9706 1.096 1.232 3.504 -0.1258 -0.2930 0.2831
3236MeOH O2 9707 1.183 1.255 3.628 0.2605 0.0555 -0.0515
3236MeOH H3 9708 1.128 1.304 3.696 0.5984 0.6043 -0.1697
3237MeOH Me1 9709 3.593 1.049 29.528 -0.3227 -0.2172 -0.4253
3237MeOH O2 9710 3.719 1.114 29.586 -0.3330 -0.3489 -0.2547
3237MeOH H3 9711 3.798 1.061 29.556 -0.3418 -0.3878 -0.2071
3238MeOH Me1 9712 4.105 2.113 9.848 0.9082 0.2604 0.3615
3238MeOH O2 9713 3.996 2.152 9.948 0.1441 0.2324 -0.4467
3238MeOH H3 9714 4.029 2.229 10.003 0.2795 -0.6594 0.7457
3239MeOH Me1 9715 3.749 2.331 5.904 0.5215 -0.9494 -0.4579
3239MeOH O2 9716 3.878 2.405 5.937 0.2218 -0.4334 -0.4310
3239MeOH H3 9717 3.956 2.348 5.910 0.4546 0.2167 -1.1785
3240MeOH Me1 9718 4.868 0.559 8.892 -0.3248 -0.0040 -0.2758
3240MeOH O2 9719 4.927 0.505 8.762 0.1954 -0.4257 0.1297
3240MeOH H3 9720 4.866 0.434 8.727 0.3565 -0.5685 0.1370
3241MeOH Me1 9721 3.800 0.994 8.277 -0.8967 -0.4592 -0.1655
3241MeOH O2 9722 3.800 1.118 8.187 0.0174 -0.0279 0.4118
3241MeOH H3 9723 3.707 1.155 8.185 0.5218 1.3943 1.5573
3242MeOH Me1 9724 1.807 0.362 8.036 0.0690 0.1224 -0.0584
3242MeOH O2 9725 1.824 0.462 7.921 -0.7768 -0.0125 -0.3082
3242MeOH H3 9726 1.843 0.411 7.837 -2.2830 -0.1583 -0.5748
3243MeOH Me1 9727 1.468 3.116 2.148 0.3549 -0.0282 0.1452
3243MeOH O2 9728 1.497 2.966 2.157 0.0603 -0.0826 0.0730
3243MeOH H3 9729 1.564 2.951 2.229 0.0887 -0.2469 0.0127
3244MeOH Me1 9730 5.077 3.642 5.196 -0.4386 -0.3141 0.0075
3244MeOH O2 9731 4.938 3.697 5.162 -0.1054 0.8836 0.5048
3244MeOH H3 9732 4.905 3.752 5.239 -0.5021 -1.0709 1.8140
3245MeOH Me1 9733 4.880 4.503 9.010 -0.7604 0.0437 0.3279
3245MeOH O2 9734 4.812 4.368 8.988 -0.3217 -0.1792 0.3393
3245MeOH H3 9735 4.843 4.305 9.059 0.1990 -0.1950 0.1058
3246MeOH Me1 9736 0.081 3.758 3.472 -0.7965 0.4272 0.4020
3246MeOH O2 9737 0.183 3.712 3.576 -0.2258 0.1153 -0.2919
3246MeOH H3 9738 0.182 3.776 3.653 -1.0882 -1.0685 0.7239
3247MeOH Me1 9739 4.221 0.434 6.417 0.0392 0.1417 -0.1626
3247MeOH O2 9740 4.076 0.385 6.425 0.2853 -0.4693 0.7601
3247MeOH H3 9741 4.076 0.285 6.429 0.7233 -0.4773 0.5769
3248MeOH Me1 9742 0.763 4.396 4.969 0.2240 0.2187 0.1738
3248MeOH O2 9743 0.762 4.479 4.841 -0.0034 -0.1049 -0.0344
3248MeOH H3 9744 0.683 4.453 4.787 -0.6896 0.4958 0.6554
3249MeOH Me1 9745 0.761 3.684 1.928 -0.0608 -0.0225 0.2549
3249MeOH O2 9746 0.673 3.661 1.805 0.2519 -0.5928 0.1370
3249MeOH H3 9747 0.607 3.589 1.827 -0.2831 0.0191 0.5528
3250MeOH Me1 9748 2.110 2.695 10.245 -0.1738 0.0173 0.0697
3250MeOH O2 9749 2.160 2.817 10.322 0.6335 -0.3221 0.0933
3250MeOH H3 9750 2.089 2.888 10.319 0.8338 -0.0900 0.6547
3251MeOH Me1 9751 1.222 2.068 1.577 -0.1471 1.0630 -0.1639
3251MeOH O2 9752 1.198 2.015 1.436 -0.8723 0.2294 0.2650
3251MeOH H3 9753 1.283 1.974 1.403 -1.1317 -0.2441 0.1757
3252MeOH Me1 9754 4.089 1.601 3.948 -0.0918 -0.1053 -0.2495
3252MeOH O2 9755 4.009 1.701 4.032 -0.2720 -0.5045 0.0543
3252MeOH H3 9756 3.980 1.655 4.116 -0.3469 -0.8699 -0.1670
3253MeOH Me1 9757 0.315 2.898 1.021 0.1227 0.0567 0.3583
3253MeOH O2 9758 0.190 2.903 1.109 -0.1181 -0.3337 0.0387
3253MeOH H3 9759 0.156 2.809 1.120 -0.7964 -0.2908 -1.3823
3254MeOH Me1 9760 1.590 4.357 8.008 0.2094 0.3116 -0.2717
3254MeOH O2 9761 1.630 4.217 7.962 -0.0964 0.0513 0.2404
3254MeOH H3 9762 1.727 4.204 7.980 0.3536 0.6490 -1.4771
3255MeOH Me1 9763 4.027 2.568 1.324 -0.4036 0.4314 0.6426
3255MeOH O2 9764 3.893 2.640 1.312 -0.6110 -0.0044 0.3389
3255MeOH H3 9765 3.905 2.720 1.254 -0.7929 -0.0938 0.1788
3256MeOH Me1 9766 4.903 0.849 5.392 0.1729 -0.2486 -0.0647
3256MeOH O2 9767 4.955 0.992 5.374 -0.1426 -0.1400 -0.1278
3256MeOH H3 9768 4.878 1.055 5.383 0.1188 -0.1054 2.5373
3257MeOH Me1 9769 2.142 1.123 4.916 0.3440 0.0502 -0.2716
3257MeOH O2 9770 2.234 1.146 5.036 0.2903 0.2096 -0.2599
3257MeOH H3 9771 2.196 1.098 5.115 1.0652 -0.9397 -0.5748
3258MeOH Me1 9772 3.893 4.402 10.280 0.0608 -0.3969 0.1982
3258MeOH O2 9773 3.960 4.445 10.410 -0.2141 0.0821 0.1724
3258MeOH H3 9774 3.899 4.509 10.457 -0.9880 -0.9097 0.5475
3259MeOH Me1 9775 1.054 3.193 5.281 -0.5517 -0.1784 -0.5436
3259MeOH O2 9776 1.041 3.043 5.313 0.4841 -0.0442 0.5732
3259MeOH H3 9777 1.065 2.992 5.230 -2.8527 -0.3790 -0.3147
3260MeOH Me1 9778 3.976 2.061 1.384 -0.1782 0.2639 -0.3119
3260MeOH O2 9779 4.075 1.974 1.462 -0.1352 0.5894 -0.0028
3260MeOH H3 9780 4.162 1.974 1.413 -0.6807 -1.1148 -1.0820
3261MeOH Me1 9781 3.006 1.080 3.687 0.4613 -0.2181 0.2993
3261MeOH O2 9782 3.072 1.133 3.814 0.7919 -0.3612 0.1865
3261MeOH H3 9783 3.072 1.233 3.811 0.0353 -0.3420 0.6817
3262MeOH Me1 9784 1.469 3.436 2.390 -0.3415 -0.2791 -0.4285
3262MeOH O2 9785 1.327 3.435 2.445 -0.4059 0.7606 -0.5544
3262MeOH H3 9786 1.264 3.463 2.373 -0.1615 1.0139 -0.6696
3263MeOH Me1 9787 3.205 4.453 7.728 -0.3160 -0.1498 -0.8515
3263MeOH O2 9788 3.306 4.568 7.727 -0.0682 -0.3582 -0.1246
3263MeOH H3 9789 3.391 4.536 7.687 0.7830 -1.0373 2.1079
3264MeOH Me1 9790 4.875 0.250 2.325 -0.0463 -0.1577 -0.1022
3264MeOH O2 9791 4.932 0.338 2.437 0.5709 -0.5683 -0.0953
3264MeOH H3 9792 5.027 0.361 2.414 0.3107 -0.1185 -0.7564
3265MeOH Me1 9793 3.656 3.468 8.671 0.0017 -0.0915 0.7355
3265MeOH O2 9794 3.574 3.365 8.592 0.5579 0.1874 -0.2211
3265MeOH H3 9795 3.545 3.293 8.655 -3.2224 1.9155 0.2835
3266MeOH Me1 9796 4.333 1.419 29.691 -0.0591 -0.0220 -0.0282
3266MeOH O2 9797 4.457 1.378 29.611 -0.2558 -0.3281 -0.1804
3266MeOH H3 9798 4.488 1.289 29.644 -0.3152 -0.3102 -0.0747
3267MeOH Me1 9799 0.275 2.326 0.146 0.2100 -0.6535 -0.4496
3267MeOH O2 9800 0.287 2.377 0.002 0.6994 -0.3149 -0.2913
3267MeOH H3 9801 0.333 2.465 0.004 2.2110 -1.0806 -0.0730
3268MeOH Me1 9802 4.587 2.187 9.461 -0.0043 0.2042 0.8630
3268MeOH O2 9803 4.737 2.218 9.468 0.0771 -0.0887 0.3933
3268MeOH H3 9804 4.781 2.179 9.387 -0.0593 -1.2998 0.8732
3269MeOH Me1 9805 3.109 2.479 9.932 -0.2759 -0.2056 -0.0146
3269MeOH O2 9806 3.211 2.549 9.842 -0.3252 0.0245 0.1076
3269MeOH H3 9807 3.279 2.482 9.813 0.2595 0.3275 0.7520
3270MeOH Me1 9808 0.181 4.858 5.805 0.0511 0.4422 -0.2336
3270MeOH O2 9809 0.075 4.770 5.872 0.6503 -0.0507 0.0460
3270MeOH H3 9810 -0.000 4.755 5.808 0.4349 -0.2138 0.3260
3271MeOH Me1 9811 4.625 1.416 3.889 0.1110 -0.4078 0.3373
3271MeOH O2 9812 4.522 1.526 3.914 0.0342 -0.3489 -0.2150
3271MeOH H3 9813 4.450 1.518 3.846 0.5778 -0.0983 -0.8354
3272MeOH Me1 9814 3.848 3.865 8.482 -0.5806 -0.2608 -0.0452
3272MeOH O2 9815 3.855 3.962 8.364 0.5083 -0.3021 -0.0276
3272MeOH H3 9816 3.922 4.033 8.386 -0.9812 0.7566 1.3939
3273MeOH Me1 9817 1.550 4.372 8.420 0.3102 0.4190 -0.0432
3273MeOH O2 9818 1.703 4.368 8.408 0.3201 0.0749 0.2078
3273MeOH H3 9819 1.742 4.363 8.500 0.1717 0.0809 0.2695
3274MeOH Me1 9820 1.110 0.426 3.645 0.3833 -0.3434 -0.2897
3274MeOH O2 9821 1.240 0.504 3.663 0.1016 0.0364 0.1051
3274MeOH H3 9822 1.250 0.528 3.760 -0.2868 0.1123 0.1261
3275MeOH Me1 9823 4.516 2.710 10.100 0.3286 0.1658 0.6245
3275MeOH O2 9824 4.564 2.854 10.114 -0.0135 0.4208 -0.6705
3275MeOH H3 9825 4.640 2.856 10.179 0.2426 1.1344 -0.9763
3276MeOH Me1 9826 4.024 1.320 6.616 -0.4190 0.4761 0.1275
3276MeOH O2 9827 3.926 1.223 6.681 -0.3597 0.2400 -0.1487
3276MeOH H3 9828 3.833 1.254 6.662 -0.3925 -0.0507 -0.4950
3277MeOH Me1 9829 0.043 3.236 1.529 -0.0558 -0.0687 -0.1305
3277MeOH O2 9830 0.061 3.098 1.465 0.3579 -0.3168 0.5161
3277MeOH H3 9831 0.155 3.091 1.431 -0.0921 0.4630 -0.9732
3278MeOH Me1 9832 2.731 1.022 3.382 -0.0977 0.2789 -0.1858
3278MeOH O2 9833 2.813 1.150 3.395 -0.2849 0.3497 0.4423
3278MeOH H3 9834 2.754 1.223 3.428 -0.1944 -0.1131 1.6826
3279MeOH Me1 9835 0.670 3.362 5.986 -0.5040 -0.0435 -0.2453
3279MeOH O2 9836 0.739 3.484 5.925 -0.4528 0.3213 0.5343
3279MeOH H3 9837 0.775 3.459 5.835 -1.1823 1.1050 0.0062
3280MeOH Me1 9838 4.905 1.586 5.317 0.2409 -0.1581 -0.1597
3280MeOH O2 9839 4.862 1.549 5.175 0.3224 0.3499 -0.3194
3280MeOH H3 9840 4.940 1.562 5.113 1.0665 -1.5667 0.1333
3281MeOH Me1 9841 4.280 0.604 1.233 0.1265 -0.0870 0.2699
3281MeOH O2 9842 4.357 0.603 1.100 -0.3326 -0.2003 0.0015
3281MeOH H3 9843 4.390 0.510 1.084 -0.8195 -0.3279 -0.2891
3282MeOH Me1 9844 3.861 3.970 9.079 0.7001 0.2299 -0.1322
3282MeOH O2 9845 4.003 3.955 9.133 0.4131 -0.2509 0.5003
3282MeOH H3 9846 4.054 4.038 9.111 1.1423 -0.9045 -0.3571
3283MeOH Me1 9847 2.015 1.437 3.755 0.0217 -0.3983 -0.7919
3283MeOH O2 9848 2.122 1.478 3.857 -0.5398 -0.4510 -0.1779
3283MeOH H3 9849 2.130 1.578 3.856 -0.2129 -0.4793 -0.4099
3284MeOH Me1 9850 2.535 1.681 29.667 0.1794 -0.2984 -0.4931
3284MeOH O2 9851 2.657 1.599 29.712 0.2952 0.1091 -0.0592
3284MeOH H3 9852 2.643 1.504 29.685 0.6784 0.0482 -0.0490
3285MeOH Me1 9853 1.177 3.503 3.378 0.0827 -0.0434 0.1445
3285MeOH O2 9854 1.228 3.435 3.505 -0.5781 -0.2929 0.2818
3285MeOH H3 9855 1.249 3.340 3.484 -0.6663 -0.3062 0.2554
3286MeOH Me1 9856 0.468 3.139 4.918 -0.4168 -0.5755 -0.2014
3286MeOH O2 9857 0.620 3.140 4.897 -0.4510 -0.0472 -0.3419
3286MeOH H3 9858 0.658 3.056 4.936 -0.1496 -0.0518 -0.6307
3287MeOH Me1 9859 3.462 3.897 4.583 -0.5095 -0.1889 -0.3394
3287MeOH O2 9860 3.591 3.894 4.501 -0.2446 0.2166 0.0597
3287MeOH H3 9861 3.607 3.985 4.464 -0.4359 0.2584 0.0795
3288MeOH Me1 9862 1.430 3.925 0.158 -0.0510 -0.1285 0.1463
3288MeOH O2 9863 1.385 3.810 0.248 -0.2737 0.2032 0.4618
3288MeOH H3 9864 1.285 3.812 0.254 -0.2016 1.6354 2.0766
3289MeOH Me1 9865 4.305 3.279 7.987 -0.2279 -0.0205 0.2087
3289MeOH O2 9866 4.344 3.359 7.862 -0.1280 0.2860 0.4334
3289MeOH H3 9867 4.330 3.456 7.881 -0.9326 0.1869 0.3855
3290MeOH Me1 9868 0.988 5.028 9.522 -1.0286 0.5109 0.0737
3290MeOH O2 9869 0.917 4.907 9.462 -0.3935 -0.4288 1.1670
3290MeOH H3 9870 0.893 4.843 9.536 -1.2578 0.7315 1.9224
3291MeOH Me1 9871 1.968 0.808 8.052 -0.5946 -0.2230 0.4311
3291MeOH O2 9872 1.998 0.957 8.071 0.3363 -0.3674 0.1597
3291MeOH H3 9873 2.005 1.000 7.981 -0.7430 -0.3232 0.0809
3292MeOH Me1 9874 4.663 0.333 4.490 -0.4865 0.6977 -0.2079
3292MeOH O2 9875 4.705 0.237 4.378 -0.2592 0.2491 0.2621
3292MeOH H3 9876 4.754 0.289 4.309 1.3045 -0.3012 0.9111
3293MeOH Me1 9877 1.801 4.488 8.925 0.0757 0.0086 -0.7192
3293MeOH O2 9878 1.874 4.357 8.894 0.2409 -0.0161 -0.2363
3293MeOH H3 9879 1.963 4.359 8.939 -0.3473 -0.3654 0.9848
3294MeOH Me1 9880 3.079 3.416 5.654 0.2710 -0.4421 0.1753
3294MeOH O2 9881 2.970 3.416 5.762 -0.3127 -0.1122 -0.4083
3294MeOH H3 9882 3.014 3.425 5.852 -0.5320 -2.8663 0.0589
3295MeOH Me1 9883 2.874 4.460 0.842 -0.0294 0.0946 0.2767
3295MeOH O2 9884 2.909 4.334 0.763 -0.1853 0.3683 -0.2234
3295MeOH H3 9885 2.881 4.254 0.817 -2.5711 0.1891 -1.5811
3296MeOH Me1 9886 -0.082 0.047 4.030 -0.3434 -0.4137 -0.4509
3296MeOH O2 9887 0.059 0.092 3.990 -0.1450 -0.2197 0.4267
3296MeOH H3 9888 0.066 0.190 4.005 -0.3021 -0.2449 0.6765
3297MeOH Me1 9889 4.329 3.972 8.235 0.4412 0.2992 0.5035
3297MeOH O2 9890 4.479 3.984 8.208 0.3999 0.0063 0.1352
3297MeOH H3 9891 4.529 3.939 8.283 0.4848 -0.1420 -0.0082
3298MeOH Me1 9892 3.964 2.831 4.411 -0.0914 -0.3418 -0.2360
3298MeOH O2 9893 3.831 2.841 4.336 0.0296 -0.2289 -0.4394
3298MeOH H3 9894 3.757 2.828 4.402 -0.0579 -2.0394 -0.8287
3299MeOH Me1 9895 1.944 2.796 1.992 -0.0202 -0.5031 0.1916
3299MeOH O2 9896 1.900 2.853 1.857 0.3132 0.3204 0.4243
3299MeOH H3 9897 1.949 2.805 1.784 0.5706 0.8338 0.2512
3300MeOH Me1 9898 0.133 2.854 0.187 -0.4152 0.4675 0.0105
3300MeOH O2 9899 0.072 2.994 0.177 -0.5943 0.3564 -0.4651
3300MeOH H3 9900 0.065 3.019 0.080 -3.7392 -1.3259 -0.7912
3301MeOH Me1 9901 0.845 3.877 3.231 0.1598 -0.2629 -0.1300
3301MeOH O2 9902 0.910 3.975 3.329 0.4765 -0.4767 -0.1249
3301MeOH H3 9903 0.842 4.044 3.355 1.3546 1.2149 -2.0188
3302MeOH Me1 9904 2.389 0.448 5.955 0.1822 0.3841 -0.0806
3302MeOH O2 9905 2.533 0.499 5.957 0.1364 0.5064 0.0620
3302MeOH H3 9906 2.571 0.490 5.865 0.4578 -0.1328 0.2504
3303MeOH Me1 9907 1.682 4.046 10.148 -0.3949 0.1011 -0.1415
3303MeOH O2 9908 1.671 4.199 10.153 -0.3817 0.0907 0.2606
3303MeOH H3 9909 1.657 4.232 10.060 -1.1621 0.2801 0.4427
3304MeOH Me1 9910 0.401 4.597 9.585 -0.1424 0.5373 -0.2242
3304MeOH O2 9911 0.487 4.513 9.490 -0.2661 0.1696 -0.0119
3304MeOH H3 9912 0.450 4.420 9.488 0.8412 -0.3477 1.8345
3305MeOH Me1 9913 3.788 1.358 2.742 -0.0105 -0.2582 -0.0757
3305MeOH O2 9914 3.696 1.329 2.624 -0.2877 -0.2440 0.1372
3305MeOH H3 9915 3.733 1.373 2.542 -1.0333 0.6681 0.2674
3306MeOH Me1 9916 1.483 4.204 9.824 0.0902 -0.2139 -0.0878
3306MeOH O2 9917 1.570 4.291 9.916 -0.5061 -0.6171 0.8798
3306MeOH H3 9918 1.519 4.375 9.938 -0.9481 -1.0532 1.5432
3307MeOH Me1 9919 2.141 4.698 2.071 -0.4963 -0.1706 0.1073
3307MeOH O2 9920 2.081 4.730 1.934 -0.2122 0.5322 0.1410
3307MeOH H3 9921 2.148 4.706 1.864 -0.1446 0.6995 0.1477
3308MeOH Me1 9922 4.256 0.567 3.208 0.6238 0.4794 0.1664
3308MeOH O2 9923 4.126 0.641 3.240 0.2345 -0.0786 -0.1136
3308MeOH H3 9924 4.109 0.635 3.338 -0.7656 -1.4659 -0.3465
3309MeOH Me1 9925 3.458 2.876 8.310 0.3468 -0.2958 0.4557
3309MeOH O2 9926 3.436 2.769 8.418 0.5892 -0.6219 0.1744
3309MeOH H3 9927 3.489 2.795 8.499 -0.5055 -0.0259 0.7104
3310MeOH Me1 9928 2.571 3.247 10.323 0.0596 0.0525 0.2437
3310MeOH O2 9929 2.562 3.359 10.220 0.4105 -0.0274 0.1240
3310MeOH H3 9930 2.498 3.331 10.149 -0.4306 0.4983 0.6628
3311MeOH Me1 9931 0.197 2.975 4.677 -0.1143 -0.1220 0.3656
3311MeOH O2 9932 0.118 3.074 4.591 0.4302 -0.2617 -0.3111
3311MeOH H3 9933 0.058 3.127 4.651 -1.5033 -1.5923 -0.9798
3312MeOH Me1 9934 1.552 3.959 1.074 0.3035 0.2572 0.1606
3312MeOH O2 9935 1.601 4.102 1.098 0.0164 0.3266 0.3351
3312MeOH H3 9936 1.647 4.106 1.187 -0.6222 0.4753 0.6704
3313MeOH Me1 9937 4.356 3.412 0.992 -0.2683 -0.0854 0.2872
3313MeOH O2 9938 4.260 3.430 1.110 -0.1610 0.2515 0.3239
3313MeOH H3 9939 4.175 3.472 1.076 0.5160 1.9121 0.5965
3314MeOH Me1 9940 3.499 2.426 9.718 0.4516 -0.4197 0.5048
3314MeOH O2 9941 3.384 2.350 9.784 0.2169 0.0349 0.6247
3314MeOH H3 9942 3.408 2.253 9.790 -0.8142 -0.3519 -0.8319
3315MeOH Me1 9943 3.382 4.435 3.364 0.0826 0.8114 0.0087
3315MeOH O2 9944 3.400 4.495 3.224 -0.0434 0.3144 -0.2207
3315MeOH H3 9945 3.366 4.589 3.225 -0.3393 0.2173 -0.6096
3316MeOH Me1 9946 4.847 0.216 9.282 -0.6592 0.1298 -0.2405
3316MeOH O2 9947 4.863 0.358 9.335 0.2870 0.1084 -0.4108
3316MeOH H3 9948 4.807 0.368 9.418 -0.1012 0.7428 -0.7442
3317MeOH Me1 9949 4.201 4.421 5.887 -0.0287 -0.0236 -0.2864
3317MeOH O2 9950 4.084 4.322 5.883 0.3163 -0.4308 -0.2020
3317MeOH H3 9951 4.026 4.338 5.963 -0.2180 0.0415 -0.6806
3318MeOH Me1 9952 4.437 1.293 8.160 0.1435 -0.9166 0.1121
3318MeOH O2 9953 4.407 1.259 8.014 -0.3207 -0.0409 -0.0078
3318MeOH H3 9954 4.400 1.159 8.005 -0.6242 0.0214 -0.5275
3319MeOH Me1 9955 4.173 2.059 5.810 -0.5362 -0.1791 -0.1472
3319MeOH O2 9956 4.140 2.148 5.690 0.1565 0.0679 -0.1567
3319MeOH H3 9957 4.201 2.124 5.614 2.1697 1.7521 0.8243
3320MeOH Me1 9958 2.553 3.450 0.354 -0.2264 0.0627 -0.1156
3320MeOH O2 9959 2.501 3.310 0.390 -0.0292 -0.0023 -0.0805
3320MeOH H3 9960 2.438 3.319 0.467 -0.4532 -0.0045 -0.4218
3321MeOH Me1 9961 0.268 1.983 8.865 -0.2343 0.5163 -0.6698
3321MeOH O2 9962 0.142 1.966 8.951 0.3486 -0.6906 -0.0356
3321MeOH H3 9963 0.063 1.990 8.896 0.0101 0.7204 1.0120
3322MeOH Me1 9964 0.130 1.395 0.811 -0.0829 -0.2584 0.3329
3322MeOH O2 9965 0.012 1.366 0.718 0.0256 0.3233 0.0053
3322MeOH H3 9966 -0.062 1.325 0.773 0.4504 -1.2743 -0.5478
3323MeOH Me1 9967 3.918 1.665 8.664 -0.0107 -0.2004 0.1138
3323MeOH O2 9968 3.973 1.608 8.534 -0.3052 -0.3224 0.0432
3323MeOH H3 9969 4.033 1.676 8.492 0.7925 -0.9177 0.5942
3324MeOH Me1 9970 4.743 2.385 5.162 -0.2866 -0.3379 0.0079
3324MeOH O2 9971 4.856 2.292 5.119 0.4279 0.2757 0.5305
3324MeOH H3 9972 4.824 2.236 5.042 0.8870 -0.3200 0.7637
3325MeOH Me1 9973 4.706 1.056 29.326 -0.5778 -0.0631 0.4032
3325MeOH O2 9974 4.830 1.025 29.411 -0.1689 -0.2469 -0.2560
3325MeOH H3 9975 4.810 1.048 29.506 0.8758 1.2408 -0.3478
3326MeOH Me1 9976 3.586 0.342 9.421 0.7429 0.2807 -0.1126
3326MeOH O2 9977 3.503 0.404 9.534 0.1289 0.0612 -0.4413
3326MeOH H3 9978 3.562 0.415 9.614 -0.6229 -1.2745 0.3261
3327MeOH Me1 9979 1.572 3.000 1.784 0.2348 0.2308 -1.0030
3327MeOH O2 9980 1.705 3.051 1.839 0.1919 -0.2038 -0.4834
3327MeOH H3 9981 1.771 2.976 1.839 0.1498 -0.2436 -0.8997
3328MeOH Me1 9982 0.317 1.804 10.041 -0.4856 -0.1571 0.0354
3328MeOH O2 9983 0.373 1.815 9.899 0.0799 0.3891 0.2940
3328MeOH H3 9984 0.468 1.846 9.904 0.9999 -2.2641 0.9713
3329MeOH Me1 9985 3.739 1.861 6.523 0.3082 -0.2284 0.1213
3329MeOH O2 9986 3.879 1.921 6.542 0.0701 0.1730 0.6287
3329MeOH H3 9987 3.932 1.904 6.459 -0.5516 2.9968 -0.4716
3330MeOH Me1 9988 1.992 0.655 10.373 -0.0852 -0.2274 -0.2530
3330MeOH O2 9989 1.887 0.593 10.281 -0.0433 -0.1153 -0.4019
3330MeOH H3 9990 1.796 0.622 10.312 -0.2066 -2.0196 1.0187
3331MeOH Me1 9991 2.283 4.825 4.727 0.2062 0.1543 -0.2119
3331MeOH O2 9992 2.210 4.862 4.598 0.4045 -0.0971 -0.3993
3331MeOH H3 9993 2.254 4.943 4.559 0.0251 0.2470 -0.1140
3332MeOH Me1 9994 1.906 3.896 4.803 0.5724 0.6495 0.5265
3332MeOH O2 9995 2.054 3.866 4.777 0.3664 0.1686 -0.1163
3332MeOH H3 9996 2.065 3.766 4.771 0.0663 0.1201 0.0770
3333MeOH Me1 9997 2.131 0.460 9.117 -0.1462 0.0740 0.0115
3333MeOH O2 9998 2.086 0.497 8.975 0.0306 -0.1236 -0.0970
3333MeOH H3 9999 2.072 0.596 8.971 -0.6400 -0.2136 -0.0584
3334MeOH Me110000 1.466 3.306 7.675 0.1137 -0.6962 0.1948
3334MeOH O210001 1.391 3.273 7.804 -0.1960 0.8369 0.4230
3334MeOH H310002 1.416 3.341 7.874 -0.5412 1.8074 -0.3792
3335MeOH Me110003 0.701 4.539 0.449 -0.0880 0.5044 0.1128
3335MeOH O210004 0.693 4.683 0.399 -0.0835 0.3955 -0.2048
3335MeOH H310005 0.739 4.742 0.465 0.3537 0.4773 -0.5819
3336MeOH Me110006 2.219 0.916 29.618 0.3079 -0.1385 -0.7494
3336MeOH O210007 2.211 0.851 29.756 0.3281 0.3183 -0.5269
3336MeOH H310008 2.215 0.923 29.825 -2.1454 0.7849 -0.7942
3337MeOH Me110009 4.180 3.641 29.453 -0.7540 -0.3221 -0.1963
3337MeOH O210010 4.323 3.652 29.401 -0.7761 -0.1223 -0.2123
3337MeOH H310011 4.362 3.561 29.396 -1.6479 -0.4200 -3.0459
3338MeOH Me110012 0.106 4.333 5.272 -0.6181 -0.0149 -0.0309
3338MeOH O210013 0.219 4.265 5.349 0.1060 0.6534 -0.4847
3338MeOH H310014 0.256 4.330 5.416 -1.9481 0.0132 1.3951
3339MeOH Me110015 3.319 0.982 5.820 0.0875 -0.3037 -0.1463
3339MeOH O210016 3.346 1.114 5.747 -0.1714 0.1612 0.5720
3339MeOH H310017 3.324 1.101 5.650 2.9160 -0.3709 -0.1593
3340MeOH Me110018 1.801 0.214 6.321 0.0458 0.0224 0.6402
3340MeOH O210019 1.906 0.104 6.334 -0.1065 -0.1972 -0.1238
3340MeOH H310020 1.960 0.120 6.416 -0.9837 -1.5971 0.7710
3341MeOH Me110021 3.318 3.166 8.655 -0.0051 -0.1599 0.8096
3341MeOH O210022 3.458 3.156 8.716 0.2095 -0.3845 0.2484
3341MeOH H310023 3.450 3.122 8.809 0.2678 2.1478 1.2572
3342MeOH Me110024 0.320 3.510 0.152 0.0263 -0.0406 0.4506
3342MeOH O210025 0.247 3.384 0.103 0.3322 -0.0944 0.1307
3342MeOH H310026 0.275 3.307 0.160 -0.0796 -0.0180 0.4400
3343MeOH Me110027 0.389 2.324 1.107 0.2596 -0.2205 0.0910
3343MeOH O210028 0.352 2.387 1.242 0.3837 0.1423 -0.0445
3343MeOH H310029 0.436 2.399 1.295 0.5773 1.2345 -0.5622
3344MeOH Me110030 2.144 0.684 4.971 -0.0052 -0.0616 -0.2049
3344MeOH O210031 2.086 0.719 4.833 0.2845 0.0853 -0.2900
3344MeOH H310032 2.065 0.635 4.785 2.7883 0.0588 -1.4714
3345MeOH Me110033 3.226 4.022 5.640 -0.2534 0.2395 -0.0787
3345MeOH O210034 3.138 4.071 5.524 -0.4751 -0.5277 -0.2435
3345MeOH H310035 3.052 4.021 5.526 -0.6913 -0.1583 0.5843
3346MeOH Me110036 3.264 0.178 3.958 0.2131 0.3057 0.2427
3346MeOH O210037 3.404 0.207 4.013 0.2748 0.5875 -0.0609
3346MeOH H310038 3.416 0.154 4.096 1.4496 -1.3091 -1.3549
3347MeOH Me110039 4.882 3.346 6.871 0.4439 0.4658 -0.2690
3347MeOH O210040 4.966 3.252 6.785 0.5105 0.0704 0.2241
3347MeOH H310041 5.011 3.186 6.845 0.5365 0.4016 0.5702
3348MeOH Me110042 4.676 3.197 0.164 0.0792 0.1562 -0.0267
3348MeOH O210043 4.596 3.148 0.284 0.3927 -0.5893 -0.1117
3348MeOH H310044 4.508 3.112 0.252 -0.5752 1.4982 0.0324
3349MeOH Me110045 3.192 2.258 1.879 -0.0728 0.2021 -0.2316
3349MeOH O210046 3.100 2.155 1.813 0.3333 -0.4227 0.1701
3349MeOH H310047 3.128 2.143 1.718 -1.1706 1.2197 -0.5384
3350MeOH Me110048 0.909 3.514 5.234 0.0649 -0.2001 0.0180
3350MeOH O210049 0.970 3.650 5.269 0.2381 -0.2146 -0.2279
3350MeOH H310050 0.972 3.660 5.368 -1.3681 0.6843 -0.2484
3351MeOH Me110051 3.783 0.685 10.314 -0.2119 0.2700 -0.1446
3351MeOH O210052 3.856 0.626 10.435 0.2066 0.6787 -0.1982
3351MeOH H310053 3.881 0.532 10.414 1.6901 1.1434 -0.6450
3352MeOH Me110054 4.821 4.870 7.196 -0.9641 0.9187 -0.6712
3352MeOH O210055 4.840 4.809 7.057 0.0245 -0.8080 0.1899
3352MeOH H310056 4.937 4.816 7.032 -0.0978 0.5975 0.0381
3353MeOH Me110057 4.639 4.629 2.404 -0.1598 0.2827 -0.4016
3353MeOH O210058 4.776 4.688 2.440 0.1160 -0.4886 -0.1682
3353MeOH H310059 4.779 4.702 2.539 -0.1602 -0.0421 -0.2224
3354MeOH Me110060 4.253 1.552 6.117 -0.0706 0.2088 -0.1702
3354MeOH O210061 4.403 1.559 6.086 0.1899 -0.5902 0.8290
3354MeOH H310062 4.416 1.539 5.989 0.5789 0.7283 0.5931
3355MeOH Me110063 2.725 0.381 7.921 0.1351 0.0654 0.1479
3355MeOH O210064 2.731 0.486 7.810 0.8141 -0.2256 -0.0989
3355MeOH H310065 2.798 0.555 7.835 0.4676 -0.0169 0.2599
3356MeOH Me110066 3.545 3.845 11.027 0.4575 -0.2098 -0.2138
3356MeOH O210067 3.488 3.815 10.888 0.1246 0.4317 -0.2195
3356MeOH H310068 3.472 3.716 10.881 -0.8245 0.5781 -0.2844
3357MeOH Me110069 1.984 3.193 2.744 0.0289 -0.6436 0.2323
3357MeOH O210070 1.846 3.258 2.726 -0.1858 -1.2383 -0.2840
3357MeOH H310071 1.849 3.350 2.764 -0.3295 -0.7347 -1.4638
3358MeOH Me110072 1.653 1.185 0.720 0.1317 -0.4027 -0.1130
3358MeOH O210073 1.552 1.164 0.607 0.9240 -0.3686 -0.8358
3358MeOH H310074 1.460 1.164 0.646 0.5968 0.2445 -1.5741
3359MeOH Me110075 1.431 3.130 8.174 0.0498 -0.2259 -0.1097
3359MeOH O210076 1.356 3.004 8.219 0.3440 -0.4629 -0.2711
3359MeOH H310077 1.423 2.932 8.236 0.4556 -0.5435 -1.0113
3360MeOH Me110078 0.702 4.848 7.698 -0.1124 -0.0580 -0.2988
3360MeOH O210079 0.710 4.998 7.726 -0.3534 -0.1700 0.3966
3360MeOH H310080 0.624 5.040 7.696 0.2638 0.0910 -1.1103
3361MeOH Me110081 2.004 3.169 5.713 0.2334 -0.2594 -0.3220
3361MeOH O210082 2.078 3.189 5.580 -0.0601 -0.2001 -0.4789
3361MeOH H310083 2.138 3.269 5.590 1.8322 -1.6349 0.2672
3362MeOH Me110084 3.679 1.846 0.187 -1.0025 0.0691 0.1797
3362MeOH O210085 3.591 1.970 0.174 -0.9445 0.0490 -0.3115
3362MeOH H310086 3.650 2.050 0.161 -0.9253 -0.0133 -0.6069
3363MeOH Me110087 1.376 1.692 8.633 -0.1746 0.7366 -0.0540
3363MeOH O210088 1.415 1.622 8.763 -0.2004 -0.0314 -0.4329
3363MeOH H310089 1.501 1.662 8.795 -1.5521 1.7483 1.2350
3364MeOH Me110090 2.744 4.378 2.370 -0.3911 0.1009 0.1788
3364MeOH O210091 2.711 4.229 2.360 -0.0274 0.0541 -0.3586
3364MeOH H310092 2.729 4.186 2.449 -1.1517 0.0278 -0.1325
3365MeOH Me110093 4.298 2.726 0.961 0.0498 -0.0688 0.2043
3365MeOH O210094 4.149 2.761 0.955 0.1449 0.3255 0.1544
3365MeOH H310095 4.113 2.730 0.867 -0.4440 -1.7316 1.0561
3366MeOH Me110096 -0.091 0.985 10.670 -0.2437 -0.4001 0.3421
3366MeOH O210097 0.043 0.944 10.610 -0.1923 0.0060 0.1807
3366MeOH H310098 0.050 0.983 10.518 0.3201 1.5006 0.8136
3367MeOH Me110099 2.989 2.797 6.455 0.3184 0.2466 0.0295
3367MeOH O210100 2.876 2.710 6.511 0.0924 0.8881 0.5925
3367MeOH H310101 2.789 2.743 6.474 0.0751 1.4995 1.1742
3368MeOH Me110102 4.296 0.507 29.427 -0.4160 0.3042 0.3174
3368MeOH O210103 4.370 0.444 29.545 0.0435 0.5866 0.1853
3368MeOH H310104 4.436 0.510 29.580 1.3438 0.1004 -1.2623
3369MeOH Me110105 1.654 0.218 1.524 0.3381 -0.1630 -0.2907
3369MeOH O210106 1.641 0.092 1.611 0.3525 0.2227 0.2800
3369MeOH H310107 1.730 0.072 1.651 1.2867 -1.5148 -2.3648
3370MeOH Me110108 1.383 3.380 1.747 0.0634 -0.1348 0.1063
3370MeOH O210109 1.309 3.419 1.875 0.1832 -0.0590 0.1523
3370MeOH H310110 1.220 3.457 1.850 1.0261 1.9662 0.0927
3371MeOH Me110111 2.561 0.180 2.788 0.0202 -0.6103 -0.7832
3371MeOH O210112 2.419 0.165 2.733 -0.3586 0.3716 -0.1234
3371MeOH H310113 2.381 0.078 2.766 -0.8740 0.7133 0.1939
3372MeOH Me110114 0.402 4.042 29.533 -0.0186 -0.0743 0.0048
3372MeOH O210115 0.389 4.175 29.608 0.1115 0.1124 -0.3019
3372MeOH H310116 0.478 4.222 29.605 0.3555 -0.3058 0.1870
3373MeOH Me110117 4.548 3.761 5.970 -0.2832 0.3255 0.1781
3373MeOH O210118 4.655 3.867 5.940 -0.2415 0.0964 -0.4891
3373MeOH H310119 4.729 3.823 5.888 0.8779 -0.8570 1.7780
3374MeOH Me110120 0.673 2.054 29.584 0.2088 -0.4339 0.1368
3374MeOH O210121 0.669 2.111 29.726 0.6694 0.3086 -0.1613
3374MeOH H310122 0.746 2.072 29.777 0.2293 -0.2277 0.1032
3375MeOH Me110123 3.064 1.012 0.858 0.4165 0.2716 -0.4763
3375MeOH O210124 2.943 0.920 0.836 0.1388 0.5029 0.0515
3375MeOH H310125 2.972 0.826 0.853 0.2072 0.3806 -0.6984
3376MeOH Me110126 2.898 4.662 8.527 0.0770 0.1487 -0.3478
3376MeOH O210127 2.807 4.785 8.542 0.3404 0.2552 0.3921
3376MeOH H310128 2.721 4.755 8.585 0.8475 0.4480 1.5817
3377MeOH Me110129 3.089 3.212 5.275 -0.4174 0.2925 -0.1666
3377MeOH O210130 3.044 3.123 5.158 0.3401 -0.5207 0.1548
3377MeOH H310131 3.030 3.031 5.193 0.1321 -0.2863 0.7117
3378MeOH Me110132 4.473 4.734 7.695 0.8014 -0.8414 -0.4305
3378MeOH O210133 4.550 4.739 7.828 0.1534 0.5023 -0.0899
3378MeOH H310134 4.642 4.702 7.813 -0.2779 -1.1549 1.0410
3379MeOH Me110135 0.219 1.181 10.757 -0.1872 -0.4335 -0.0125
3379MeOH O210136 0.319 1.110 10.665 -0.2120 -0.0743 -0.3075
3379MeOH H310137 0.277 1.028 10.629 0.4590 -1.0345 0.9876
3380MeOH Me110138 2.394 4.811 8.403 -0.1651 0.0116 -0.0828
3380MeOH O210139 2.272 4.731 8.356 -0.0279 -0.1230 -0.2135
3380MeOH H310140 2.255 4.657 8.421 0.9077 -1.0971 -1.0420
3381MeOH Me110141 3.077 0.556 3.891 0.3144 -0.1789 -0.3298
3381MeOH O210142 2.980 0.667 3.929 0.2166 -0.2956 -0.2388
3381MeOH H310143 2.895 0.655 3.876 -0.0169 -0.7035 0.2271
3382MeOH Me110144 2.695 3.188 7.354 -0.5543 0.3140 -0.1474
3382MeOH O210145 2.684 3.092 7.473 -0.2821 0.3022 -0.1306
3382MeOH H310146 2.677 2.999 7.438 3.5862 -0.1473 -0.1035
3383MeOH Me110147 2.353 4.232 8.511 -0.8280 0.3078 0.0937
3383MeOH O210148 2.390 4.371 8.563 -0.2861 0.0668 0.3553
3383MeOH H310149 2.476 4.399 8.520 -0.4348 0.0309 0.0301
3384MeOH Me110150 1.065 1.680 4.162 0.3521 -0.6190 0.3443
3384MeOH O210151 0.935 1.657 4.085 0.5492 -0.0754 -0.1506
3384MeOH H310152 0.943 1.702 3.996 0.7827 0.5741 0.1916
3385MeOH Me110153 3.627 1.882 8.720 -0.1283 -0.3025 0.0988
3385MeOH O210154 3.671 1.795 8.838 0.0235 -0.0186 0.2626
3385MeOH H310155 3.612 1.715 8.842 -0.9457 0.7166 1.4235
3386MeOH Me110156 3.148 2.586 5.480 -0.7280 -0.1889 -0.8367
3386MeOH O210157 3.200 2.453 5.425 0.0706 -0.2591 0.0603
3386MeOH H310158 3.144 2.379 5.462 -1.4232 -0.1041 -1.7304
3387MeOH Me110159 1.731 3.617 4.454 0.7014 -0.2288 -0.2964
3387MeOH O210160 1.833 3.716 4.510 0.3072 -0.2901 0.5470
3387MeOH H310161 1.805 3.809 4.484 2.8766 -0.4683 -3.6832
3388MeOH Me110162 2.592 3.511 5.230 0.5821 0.0477 0.2229
3388MeOH O210163 2.585 3.528 5.382 -0.0899 -0.1134 0.2154
3388MeOH H310164 2.518 3.599 5.404 -0.7291 -0.6477 0.0362
3389MeOH Me110165 0.310 2.409 3.756 -0.3531 -0.5308 -0.1029
3389MeOH O210166 0.456 2.374 3.724 -0.4171 -0.8773 -0.0139
3389MeOH H310167 0.514 2.407 3.798 -0.2405 0.1474 -0.5857
3390MeOH Me110168 1.868 2.513 5.658 0.0423 -0.0494 -0.4988
3390MeOH O210169 1.852 2.521 5.506 0.1678 -0.6760 -0.5471
3390MeOH H310170 1.919 2.586 5.471 -1.0154 0.5942 -0.5452
3391MeOH Me110171 4.532 2.109 5.220 -0.1290 0.1610 0.4643
3391MeOH O210172 4.411 2.182 5.279 -0.4432 0.0168 0.0020
3391MeOH H310173 4.418 2.279 5.256 -0.9210 -0.1145 -0.7142
3392MeOH Me110174 4.625 3.521 5.065 0.2151 -0.0850 -0.2237
3392MeOH O210175 4.721 3.482 5.178 0.2476 0.5098 -0.0437
3392MeOH H310176 4.813 3.511 5.152 0.4212 -0.5869 -0.7183
3393MeOH Me110177 1.520 1.769 1.385 0.5413 0.4798 0.3364
3393MeOH O210178 1.427 1.881 1.339 0.0959 -0.2409 -0.5380
3393MeOH H310179 1.481 1.964 1.325 -0.5641 0.5154 1.1957
3394MeOH Me110180 0.835 3.888 4.562 -0.1723 0.0990 -0.2162
3394MeOH O210181 0.822 3.863 4.412 -0.3292 0.2517 -0.2290
3394MeOH H310182 0.783 3.945 4.369 -1.6847 -0.2070 0.0862
3395MeOH Me110183 0.676 3.719 9.786 0.2120 -0.2890 -0.3958
3395MeOH O210184 0.807 3.710 9.865 -0.1884 0.0047 0.3081
3395MeOH H310185 0.841 3.616 9.858 0.7370 0.3928 -0.6159
3396MeOH Me110186 4.113 2.607 9.781 0.2229 0.0068 -0.2951
3396MeOH O210187 4.136 2.509 9.666 0.0067 -0.4061 0.0117
3396MeOH H310188 4.224 2.464 9.679 0.1005 -0.2460 -0.0773
3397MeOH Me110189 4.085 1.107 9.449 0.4658 -0.3071 -0.0000
3397MeOH O210190 4.108 1.179 9.316 0.0949 0.1661 0.1837
3397MeOH H310191 4.197 1.150 9.280 -0.2146 -0.0627 -0.4042
3398MeOH Me110192 4.286 1.976 3.977 0.3417 0.1674 0.0938
3398MeOH O210193 4.197 2.089 4.031 -0.0410 -0.0978 0.0244
3398MeOH H310194 4.225 2.108 4.125 -2.0568 -1.9687 1.0813
3399MeOH Me110195 1.869 4.436 9.798 0.8502 0.4008 0.6946
3399MeOH O210196 1.997 4.428 9.714 0.1637 -0.7688 -0.2727
3399MeOH H310197 2.051 4.510 9.731 0.0504 -0.2211 -2.2966
3400MeOH Me110198 0.799 0.614 1.305 -0.2698 -0.7793 -0.1552
3400MeOH O210199 0.777 0.535 1.434 0.5264 -0.1283 0.4002
3400MeOH H310200 0.742 0.444 1.410 -1.9753 0.5690 1.1681
3401MeOH Me110201 2.350 2.557 6.552 0.3228 -0.0983 0.1080
3401MeOH O210202 2.282 2.420 6.564 0.5409 -0.2567 -0.4060
3401MeOH H310203 2.236 2.416 6.653 -1.2121 0.1386 -1.2532
3402MeOH Me110204 1.453 0.757 6.044 0.2105 0.7941 0.4047
3402MeOH O210205 1.592 0.727 5.987 0.0686 -0.1974 0.5573
3402MeOH H310206 1.654 0.706 6.062 1.0228 4.0512 1.2282
3403MeOH Me110207 -0.061 4.308 10.953 0.0331 0.1800 0.3201
3403MeOH O210208 0.079 4.311 11.015 0.0561 -0.2365 0.2878
3403MeOH H310209 0.121 4.399 10.995 0.4317 -0.4688 0.0222
3404MeOH Me110210 0.215 1.050 4.102 0.2835 0.0726 0.4179
3404MeOH O210211 0.220 0.897 4.116 0.0581 0.0125 -0.1193
3404MeOH H310212 0.283 0.874 4.190 -0.2795 -0.3263 0.0672
3405MeOH Me110213 2.554 0.034 2.083 -0.1469 0.0806 -0.1067
3405MeOH O210214 2.517 0.182 2.090 -0.0137 0.0881 0.4499
3405MeOH H310215 2.588 0.235 2.043 -0.5749 0.0954 -0.4048
3406MeOH Me110216 2.519 2.283 3.018 -0.2259 0.1608 0.2072
3406MeOH O210217 2.450 2.412 3.060 -0.1410 0.4271 -0.4598
3406MeOH H310218 2.403 2.451 2.981 -3.5281 -2.0433 0.0915
3407MeOH Me110219 5.042 4.074 29.441 -0.0274 -0.4607 -0.2012
3407MeOH O210220 4.893 4.089 29.469 0.1627 0.1710 0.4950
3407MeOH H310221 4.856 4.159 29.407 0.2649 0.6790 1.0042
3408MeOH Me110222 3.940 0.486 3.773 -0.0866 0.2871 0.4711
3408MeOH O210223 4.016 0.366 3.829 0.3563 0.3219 -0.0578
3408MeOH H310224 3.954 0.314 3.889 -0.4127 -1.8490 -2.5293
3409MeOH Me110225 1.174 2.203 6.411 -0.1058 -0.1646 0.2781
3409MeOH O210226 1.155 2.199 6.260 0.1575 0.4187 0.2314
3409MeOH H310227 1.137 2.105 6.232 -0.3257 0.6067 -0.1004
3410MeOH Me110228 2.420 4.216 5.902 -0.0252 -0.1752 0.3043
3410MeOH O210229 2.525 4.174 6.005 -0.0060 0.2139 0.4445
3410MeOH H310230 2.524 4.241 6.079 -0.5794 0.0411 0.6033
3411MeOH Me110231 1.412 0.922 4.007 0.4802 0.2606 0.3364
3411MeOH O210232 1.290 1.011 4.034 0.5134 0.5030 -0.2985
3411MeOH H310233 1.211 0.971 3.987 0.3656 -0.1512 0.4788
3412MeOH Me110234 4.184 3.399 6.557 0.0966 0.0245 0.0265
3412MeOH O210235 4.232 3.448 6.694 0.2098 -0.4672 0.1660
3412MeOH H310236 4.184 3.396 6.765 -1.1024 0.5514 0.0465
3413MeOH Me110237 1.544 3.685 7.458 -0.4946 0.6439 0.0158
3413MeOH O210238 1.497 3.587 7.351 0.3191 -0.3639 0.5692
3413MeOH H310239 1.577 3.545 7.308 0.9083 2.7494 -1.6961
3414MeOH Me110240 2.994 3.616 8.787 0.1828 0.5733 0.7536
3414MeOH O210241 2.852 3.662 8.819 0.0676 0.6591 0.1213
3414MeOH H310242 2.857 3.749 8.869 -0.1317 1.3182 -0.9480
3415MeOH Me110243 0.386 3.332 6.546 -0.6053 -0.2148 0.1698
3415MeOH O210244 0.299 3.293 6.666 -0.3127 -0.1312 0.4124
3415MeOH H310245 0.203 3.300 6.638 -0.4144 -3.2003 -0.3883
3416MeOH Me110246 4.426 1.834 1.697 -0.7325 -0.8696 -0.1537
3416MeOH O210247 4.495 1.709 1.752 0.2442 0.0385 0.7781
3416MeOH H310248 4.566 1.737 1.816 3.0210 1.3518 -2.5332
3417MeOH Me110249 1.176 4.607 5.107 -0.1416 0.0441 0.0877
3417MeOH O210250 1.263 4.498 5.171 0.2891 0.1220 -0.3591
3417MeOH H310251 1.210 4.413 5.174 -0.5194 0.6367 2.0743
3418MeOH Me110252 0.667 0.377 1.701 -0.7354 -0.6173 -0.3980
3418MeOH O210253 0.624 0.372 1.848 0.2080 -0.6953 -0.1178
3418MeOH H310254 0.640 0.279 1.882 -0.4436 -0.9718 -0.5452
3419MeOH Me110255 4.379 4.097 3.120 0.5193 -0.1934 0.2610
3419MeOH O210256 4.365 3.951 3.165 -0.5264 -0.1577 0.0870
3419MeOH H310257 4.287 3.944 3.226 -0.3128 0.4257 0.4406
3420MeOH Me110258 3.834 0.664 4.278 -0.3708 -0.1169 0.3723
3420MeOH O210259 3.983 0.690 4.299 -0.3067 -0.1931 0.0098
3420MeOH H310260 4.021 0.727 4.214 0.2927 -3.6387 -1.3949
3421MeOH Me110261 2.454 0.630 7.626 0.2107 -0.6655 -0.3944
3421MeOH O210262 2.456 0.513 7.724 -0.5678 -0.2564 0.1140
3421MeOH H310263 2.548 0.504 7.763 -1.2968 1.0867 2.3320
3422MeOH Me110264 0.346 3.701 8.207 0.0853 0.3548 0.1567
3422MeOH O210265 0.402 3.832 8.266 -0.3951 0.6524 -0.0439
3422MeOH H310266 0.478 3.809 8.326 -0.6553 0.9844 0.4173
3423MeOH Me110267 4.557 3.887 5.023 -0.0856 0.4608 -0.2908
3423MeOH O210268 4.472 3.810 4.921 0.0057 -0.1147 0.0615
3423MeOH H310269 4.534 3.761 4.860 0.0438 -1.3194 1.0415
3424MeOH Me110270 2.528 0.939 0.217 -0.0793 0.0155 0.5389
3424MeOH O210271 2.678 0.909 0.206 -0.0884 0.2595 -0.3120
3424MeOH H310272 2.721 0.930 0.294 0.5505 1.2583 -0.8387
3425MeOH Me110273 3.540 1.691 6.913 0.2232 0.4456 0.3086
3425MeOH O210274 3.447 1.793 6.847 0.0296 0.1593 0.1364
3425MeOH H310275 3.466 1.884 6.886 0.0146 0.2984 -0.1748
3426MeOH Me110276 5.046 4.435 2.258 0.1538 -0.0636 -0.1796
3426MeOH O210277 4.962 4.418 2.131 0.4191 0.0550 -0.3733
3426MeOH H310278 5.016 4.370 2.063 0.5055 -0.0280 -0.2463
3427MeOH Me110279 1.049 0.329 9.133 0.1381 0.0077 0.1654
3427MeOH O210280 1.013 0.443 9.228 -0.0187 -0.0201 0.1427
3427MeOH H310281 0.937 0.495 9.189 -1.2401 -1.1635 0.9244
3428MeOH Me110282 1.483 1.131 29.865 0.0749 0.0832 0.1603
3428MeOH O210283 1.497 1.269 29.931 0.0428 0.1233 0.0829
3428MeOH H310284 1.498 1.256 30.031 -1.6782 0.3293 0.1436
3429MeOH Me110285 0.988 3.521 10.380 -0.3839 0.6278 -0.3980
3429MeOH O210286 0.929 3.588 10.504 0.1311 -0.4810 0.4612
3429MeOH H310287 0.965 3.681 10.510 -1.2810 0.1128 0.0798
3430MeOH Me110288 2.297 0.998 1.999 0.5550 -0.1151 -0.2547
3430MeOH O210289 2.291 0.870 1.915 -0.0086 -0.2297 -0.0546
3430MeOH H310290 2.296 0.791 1.977 2.6793 -0.1629 -0.0988
3431MeOH Me110291 4.892 2.135 8.779 0.8571 0.0296 0.0493
3431MeOH O210292 4.941 1.991 8.758 0.7003 -0.0529 0.2480
3431MeOH H310293 4.955 1.976 8.660 1.2595 -0.0135 0.3186
3432MeOH Me110294 3.030 4.017 6.326 -0.0904 -0.1412 -0.3210
3432MeOH O210295 3.032 3.896 6.233 0.0288 -0.3814 0.0158
3432MeOH H310296 2.950 3.842 6.249 1.1831 -1.7368 1.8638
3433MeOH Me110297 1.315 3.361 10.140 -0.2511 0.2488 -0.5372
3433MeOH O210298 1.247 3.493 10.176 0.4039 0.4466 -0.0035
3433MeOH H310299 1.300 3.537 10.249 -0.4284 -1.0036 1.5298
3434MeOH Me110300 1.758 4.581 3.573 0.3679 0.3834 0.0645
3434MeOH O210301 1.660 4.569 3.690 0.3278 0.3518 0.0272
3434MeOH H310302 1.606 4.485 3.677 0.4631 0.2558 0.0862
3435MeOH Me110303 3.542 3.383 1.924 -0.5367 -0.5737 0.1667
3435MeOH O210304 3.572 3.309 2.055 0.4218 -0.2174 0.1632
3435MeOH H310305 3.609 3.219 2.033 -1.0495 -0.8435 0.0779
3436MeOH Me110306 3.319 1.844 7.708 -0.2493 -0.2122 -0.0660
3436MeOH O210307 3.434 1.797 7.618 -0.1360 0.5045 -0.3030
3436MeOH H310308 3.497 1.873 7.605 1.5633 -0.1323 2.9273
3437MeOH Me110309 1.304 4.419 1.070 0.2570 -0.0318 0.6412
3437MeOH O210310 1.321 4.278 1.127 -0.1041 -0.2839 0.1271
3437MeOH H310311 1.419 4.259 1.136 -0.1424 -0.6590 -0.2006
3438MeOH Me110312 2.256 1.847 5.601 -0.6321 -0.3302 0.2289
3438MeOH O210313 2.151 1.958 5.594 0.0867 0.2881 -1.0196
3438MeOH H310314 2.185 2.029 5.533 1.3033 0.1672 -0.5208
3439MeOH Me110315 2.871 0.069 10.705 -0.2142 0.2054 -0.5601
3439MeOH O210316 2.721 0.041 10.692 -0.1862 -0.3764 0.4077
3439MeOH H310317 2.701 0.019 10.596 -0.7817 -0.1082 0.4641
3440MeOH Me110318 2.023 2.586 6.384 -0.0667 -0.2463 0.0053
3440MeOH O210319 2.153 2.524 6.331 0.2347 0.4478 -0.0825
3440MeOH H310320 2.204 2.487 6.408 0.8559 1.3893 -0.0253
3441MeOH Me110321 1.323 5.071 3.601 -0.1537 0.1678 -0.6579
3441MeOH O210322 1.331 5.038 3.452 0.5915 -0.8884 -0.3953
3441MeOH H310323 1.330 4.938 3.441 0.6484 -0.9668 0.3068
3442MeOH Me110324 1.609 3.319 9.513 -0.6816 -0.3747 -0.1003
3442MeOH O210325 1.557 3.463 9.513 0.2657 -0.0189 -0.8329
3442MeOH H310326 1.493 3.474 9.437 -1.4739 -0.6849 0.4633
3443MeOH Me110327 3.225 4.456 5.016 0.3933 0.4234 -0.7423
3443MeOH O210328 3.347 4.366 4.997 0.1789 -0.1741 0.5263
3443MeOH H310329 3.401 4.368 5.081 2.5516 4.5279 -0.7599
3444MeOH Me110330 1.867 1.670 7.797 0.4880 0.3534 0.1222
3444MeOH O210331 1.805 1.767 7.898 0.1962 0.1897 0.0799
3444MeOH H310332 1.879 1.807 7.953 -0.0886 -0.9947 1.3583
3445MeOH Me110333 0.750 0.556 3.929 -0.2445 -0.2713 -0.1749
3445MeOH O210334 0.707 0.528 3.785 0.1259 0.5929 -0.4653
3445MeOH H310335 0.607 0.533 3.780 -0.0698 -1.9491 -0.1006
3446MeOH Me110336 1.473 1.720 4.102 0.0502 -0.3840 0.8978
3446MeOH O210337 1.542 1.724 4.239 0.9789 -0.4461 0.4371
3446MeOH H310338 1.610 1.651 4.242 0.7899 -0.6424 0.0516
3447MeOH Me110339 2.194 4.205 6.203 0.0698 -0.1166 0.0103
3447MeOH O210340 2.091 4.301 6.143 0.1531 0.1222 0.2477
3447MeOH H310341 2.093 4.291 6.043 0.0037 0.2240 0.2347
3448MeOH Me110342 2.349 3.920 8.713 0.2309 -0.2298 0.0401
3448MeOH O210343 2.201 3.959 8.710 0.2624 -0.0816 0.3666
3448MeOH H310344 2.168 3.951 8.616 -0.5135 -2.1495 0.7698
3449MeOH Me110345 2.513 0.673 3.451 -0.2765 -0.4478 -0.5184
3449MeOH O210346 2.430 0.788 3.395 0.3966 0.2829 -0.0248
3449MeOH H310347 2.346 0.796 3.448 0.0632 0.0105 -0.4993
3450MeOH Me110348 4.253 0.082 8.022 0.2417 0.7432 0.7539
3450MeOH O210349 4.286 0.171 7.902 -0.2693 -0.0812 -0.0154
3450MeOH H310350 4.200 0.203 7.861 -0.5094 -2.2434 -1.3364
3451MeOH Me110351 2.386 4.783 5.415 0.1211 0.0970 -0.1164
3451MeOH O210352 2.481 4.900 5.392 0.0834 0.1066 -0.2276
3451MeOH H310353 2.429 4.985 5.398 0.7520 0.4322 4.3794
3452MeOH Me110354 3.905 1.159 3.064 0.0953 0.5229 -0.2542
3452MeOH O210355 3.846 1.064 2.960 -0.0664 -0.1192 0.4230
3452MeOH H310356 3.772 1.012 3.003 -0.4314 0.5988 0.6686
3453MeOH Me110357 4.836 1.281 4.657 0.0811 0.3695 -0.5841
3453MeOH O210358 4.851 1.424 4.708 0.0234 0.1581 0.0428
3453MeOH H310359 4.901 1.477 4.639 -0.3212 0.5719 0.1042
3454MeOH Me110360 1.768 0.260 5.942 -0.2267 -0.0044 -0.2243
3454MeOH O210361 1.839 0.377 5.871 -0.0804 -0.1349 -0.2954
3454MeOH H310362 1.769 0.436 5.831 -0.1084 0.8883 1.1621
3455MeOH Me110363 0.699 3.782 6.563 0.2721 -0.5041 0.4611
3455MeOH O210364 0.665 3.888 6.668 -0.1597 0.1759 -0.3476
3455MeOH H310365 0.604 3.955 6.627 -1.3927 -1.0236 -0.5434
3456MeOH Me110366 2.451 2.121 3.322 0.3729 0.1653 0.5754
3456MeOH O210367 2.403 1.983 3.369 -0.0061 0.0419 -0.1601
3456MeOH H310368 2.395 1.923 3.289 1.1775 0.0821 -0.3297
3457MeOH Me110369 0.330 4.737 0.399 0.2726 0.1906 0.3450
3457MeOH O210370 0.435 4.733 0.288 0.4252 0.1941 0.4885
3457MeOH H310371 0.518 4.692 0.324 0.7097 1.0911 0.8854
3458MeOH Me110372 0.167 4.689 11.072 -0.5425 -0.5095 0.6346
3458MeOH O210373 0.122 4.586 10.969 0.0785 0.0759 -0.2356
3458MeOH H310374 0.116 4.631 10.880 3.0926 0.0268 -0.5813
3459MeOH Me110375 2.748 4.382 8.361 0.1922 0.1538 -0.3480
3459MeOH O210376 2.669 4.406 8.490 -0.6586 -0.2801 -0.7772
3459MeOH H310377 2.690 4.333 8.555 -0.1173 0.1669 -0.4365
3460MeOH Me110378 1.993 2.686 4.529 0.4077 0.0447 0.1435
3460MeOH O210379 2.017 2.746 4.667 -0.2676 0.0633 0.2511
3460MeOH H310380 2.085 2.691 4.715 0.5625 0.9037 0.0561
3461MeOH Me110381 4.852 3.861 7.422 0.3886 0.2538 0.7117
3461MeOH O210382 4.743 3.765 7.473 0.6567 -0.1229 0.5789
3461MeOH H310383 4.761 3.674 7.435 -0.3773 0.4461 -1.3945
3462MeOH Me110384 3.947 3.396 0.943 -0.1801 -0.2538 -0.2909
3462MeOH O210385 4.017 3.502 1.028 0.4752 -0.5776 -0.4250
3462MeOH H310386 3.953 3.535 1.098 0.6652 -0.0659 -0.4890
3463MeOH Me110387 4.349 4.548 1.805 -0.5052 0.0826 -0.1799
3463MeOH O210388 4.486 4.599 1.758 -0.5206 0.2810 -0.0108
3463MeOH H310389 4.523 4.660 1.829 -0.7938 0.5093 -0.0653
3464MeOH Me110390 1.396 4.846 7.508 -0.9331 -0.2421 -0.2549
3464MeOH O210391 1.342 4.987 7.530 -0.1887 0.0313 -0.1620
3464MeOH H310392 1.244 4.987 7.510 -0.0960 0.6724 -0.6429
3465MeOH Me110393 1.130 2.848 3.215 -0.7357 0.3000 -0.2833
3465MeOH O210394 1.045 2.864 3.341 -0.0618 0.0246 0.2151
3465MeOH H310395 0.953 2.892 3.314 0.0037 0.8715 0.8307
3466MeOH Me110396 1.813 1.509 5.088 -0.3880 -0.1413 0.3767
3466MeOH O210397 1.775 1.417 4.971 0.2654 -0.0610 0.0987
3466MeOH H310398 1.789 1.322 5.000 -0.0301 -0.0864 0.1620
3467MeOH Me110399 2.363 2.523 7.726 0.4002 -0.4945 0.4479
3467MeOH O210400 2.468 2.632 7.750 0.3267 -0.2469 -0.3206
3467MeOH H310401 2.557 2.596 7.725 0.6781 -1.1794 2.0356
3468MeOH Me110402 2.029 3.987 29.916 -0.6244 -0.1567 0.5852
3468MeOH O210403 2.011 3.840 29.952 -0.1097 -0.3820 -0.0479
3468MeOH H310404 1.915 3.815 29.936 -0.3656 -0.2615 1.1755
3469MeOH Me110405 4.214 0.710 4.090 0.1581 -0.2142 0.6137
3469MeOH O210406 4.095 0.804 4.067 -0.1516 -0.8210 -0.3248
3469MeOH H310407 4.129 0.890 4.029 -0.2687 -0.5962 0.0701
3470MeOH Me110408 3.004 0.818 6.654 -0.1872 0.0595 0.0964
3470MeOH O210409 3.134 0.788 6.729 -0.0873 0.7611 0.2131
3470MeOH H310410 3.138 0.690 6.748 0.3518 0.8024 0.3555
3471MeOH Me110411 3.977 0.670 0.900 0.0556 0.1403 -0.3639
3471MeOH O210412 3.855 0.709 0.983 0.0159 -0.0342 -0.3394
3471MeOH H310413 3.873 0.798 1.026 -0.7520 0.7989 -1.6721
3472MeOH Me110414 3.285 3.738 2.187 0.3415 -0.3262 -0.0267
3472MeOH O210415 3.407 3.671 2.123 0.4068 0.0713 -0.3247
3472MeOH H310416 3.402 3.573 2.141 0.0557 -0.1326 -1.4823
3473MeOH Me110417 0.364 3.468 5.813 -0.1128 -0.7021 -0.7346
3473MeOH O210418 0.382 3.500 5.665 0.2075 0.2203 -0.4989
3473MeOH H310419 0.417 3.594 5.657 1.6923 -0.2489 0.2202
3474MeOH Me110420 1.096 3.249 5.798 0.0724 -0.6135 0.2577
3474MeOH O210421 1.033 3.220 5.662 -0.2445 0.0089 0.2658
3474MeOH H310422 1.061 3.128 5.633 1.9380 1.0992 -1.4560
3475MeOH Me110423 3.432 4.882 6.302 -0.4397 0.0969 -0.2223
3475MeOH O210424 3.334 4.766 6.290 -0.0160 -0.3531 0.5956
3475MeOH H310425 3.327 4.740 6.193 -0.9939 -0.1235 0.5950
3476MeOH Me110426 2.659 4.728 10.872 -0.2175 -0.6434 0.2163
3476MeOH O210427 2.570 4.768 10.754 0.1743 -0.3895 0.0108
3476MeOH H310428 2.576 4.867 10.742 0.2045 -0.3616 0.2463
3477MeOH Me110429 2.797 3.435 8.102 0.0834 -0.1476 -0.1452
3477MeOH O210430 2.809 3.460 7.952 -0.4148 0.6282 -0.0626
3477MeOH H310431 2.729 3.419 7.907 0.4319 -0.9401 -0.2002
3478MeOH Me110432 3.627 4.410 2.058 -0.0742 -0.7869 0.7430
3478MeOH O210433 3.640 4.325 1.932 0.7133 0.1059 0.2066
3478MeOH H310434 3.596 4.237 1.948 2.2820 -0.7653 -0.0174
3479MeOH Me110435 1.901 3.581 9.582 -0.3185 0.3669 0.1999
3479MeOH O210436 1.823 3.623 9.457 -0.5156 -0.2675 0.0976
3479MeOH H310437 1.738 3.570 9.454 -0.3540 -0.5450 0.3109
3480MeOH Me110438 -0.063 0.588 4.731 -0.5078 -0.0668 0.0160
3480MeOH O210439 0.054 0.663 4.668 0.1345 -0.6360 0.5187
3480MeOH H310440 0.047 0.655 4.568 -1.3587 2.1806 0.3252
3481MeOH Me110441 0.331 4.195 8.724 -0.0966 -0.0815 0.5163
3481MeOH O210442 0.227 4.120 8.641 0.3088 0.3491 -0.4007
3481MeOH H310443 0.273 4.078 8.562 0.7431 0.5568 -0.2603
3482MeOH Me110444 1.849 3.303 6.211 0.0854 0.2131 -0.3033
3482MeOH O210445 1.754 3.365 6.108 0.5858 0.3579 -0.6741
3482MeOH H310446 1.694 3.430 6.156 -0.7520 -0.9184 -0.5674
3483MeOH Me110447 1.760 4.089 7.352 0.0029 0.4886 0.1140
3483MeOH O210448 1.819 4.005 7.238 0.2207 0.0953 0.5123
3483MeOH H310449 1.896 4.055 7.198 -0.7070 0.7198 -0.5718
3484MeOH Me110450 4.055 1.365 2.412 -0.2810 0.2760 0.4183
3484MeOH O210451 4.145 1.251 2.363 0.0880 0.5499 0.4329
3484MeOH H310452 4.153 1.183 2.437 -0.6499 0.0208 0.0439
3485MeOH Me110453 2.811 3.880 4.552 -0.5293 -0.3192 0.0585
3485MeOH O210454 2.911 3.864 4.438 -0.1302 -0.2397 0.3974
3485MeOH H310455 2.885 3.925 4.364 -0.1084 -0.4873 0.1843
3486MeOH Me110456 4.339 4.635 8.623 -0.0052 0.3083 0.7907
3486MeOH O210457 4.488 4.622 8.594 -0.2138 -0.1976 -0.0921
3486MeOH H310458 4.519 4.532 8.624 -0.3602 -0.3499 -0.3871
3487MeOH Me110459 3.512 1.962 9.613 -0.4144 -0.2888 0.9203
3487MeOH O210460 3.438 2.045 9.719 -0.3609 0.0809 0.6702
3487MeOH H310461 3.373 1.985 9.766 -2.7794 0.9597 -1.3302
3488MeOH Me110462 1.461 3.396 0.352 -0.3625 -0.1186 0.5518
3488MeOH O210463 1.538 3.263 0.347 -0.1501 0.0388 -0.6835
3488MeOH H310464 1.628 3.277 0.390 -0.5977 -0.4738 0.4797
3489MeOH Me110465 4.308 4.197 0.825 -0.0840 0.2188 0.8552
3489MeOH O210466 4.179 4.263 0.874 -0.4054 0.2695 -0.0356
3489MeOH H310467 4.122 4.194 0.919 0.2315 0.6988 1.5046
3490MeOH Me110468 0.453 1.465 3.870 -0.6347 0.0895 -0.0048
3490MeOH O210469 0.336 1.378 3.826 -0.3293 -0.5078 0.3466
3490MeOH H310470 0.258 1.396 3.887 -0.6897 0.1724 -0.2915
3491MeOH Me110471 2.082 4.708 10.694 0.1910 -0.5889 -0.0803
3491MeOH O210472 2.008 4.664 10.568 0.1661 0.5823 -0.4845
3491MeOH H310473 2.071 4.610 10.512 0.0141 0.7086 -0.7802
3492MeOH Me110474 1.233 1.836 0.594 -0.1140 0.0168 -0.4287
3492MeOH O210475 1.353 1.781 0.673 -0.6544 -0.8054 -0.1990
3492MeOH H310476 1.318 1.723 0.746 -1.3216 1.0117 0.9949
3493MeOH Me110477 3.231 1.874 3.468 -0.3527 -0.0861 -0.0392
3493MeOH O210478 3.176 1.741 3.521 -0.6349 -0.3920 -1.0614
3493MeOH H310479 3.200 1.669 3.457 -1.9186 0.2309 -2.3042
3494MeOH Me110480 0.071 1.508 9.395 0.3900 0.2006 0.0875
3494MeOH O210481 0.046 1.635 9.312 0.2884 -0.0915 -0.3343
3494MeOH H310482 0.014 1.608 9.221 0.7187 -0.4315 -0.3895
3495MeOH Me110483 0.169 1.622 8.836 -0.0609 -0.1888 -0.1870
3495MeOH O210484 0.291 1.537 8.798 -0.0648 -0.3185 0.0871
3495MeOH H310485 0.367 1.598 8.776 -0.1807 -0.3823 -0.5084
3496MeOH Me110486 2.410 0.619 2.784 -0.3475 -0.6934 -0.3919
3496MeOH O210487 2.258 0.631 2.795 -0.2760 -0.3386 0.2441
3496MeOH H310488 2.221 0.651 2.704 -0.6037 -0.1926 0.4074
3497MeOH Me110489 4.567 3.870 6.980 0.3569 -0.1898 0.0603
3497MeOH O210490 4.680 3.768 6.969 0.3150 -0.2106 -0.1953
3497MeOH H310491 4.649 3.693 6.910 -0.1036 -0.5587 0.4416
3498MeOH Me110492 2.576 3.014 10.947 -0.1179 -0.0039 -0.3512
3498MeOH O210493 2.641 3.119 10.856 0.3150 0.3366 0.3414
3498MeOH H310494 2.568 3.175 10.815 0.4657 0.0975 -0.2659
3499MeOH Me110495 2.217 1.767 9.501 -0.2788 0.4665 -0.4261
3499MeOH O210496 2.114 1.759 9.614 0.3930 0.4219 0.1854
3499MeOH H310497 2.161 1.730 9.697 0.8779 0.2383 -0.1461
3500MeOH Me110498 4.655 3.097 8.831 -0.0994 0.0734 -0.2691
3500MeOH O210499 4.513 3.134 8.790 -0.0871 0.0351 -0.3477
3500MeOH H310500 4.458 3.051 8.788 0.2873 -0.2086 -1.7967
3501MeOH Me110501 2.438 2.678 5.740 0.3807 0.1076 -0.2819
3501MeOH O210502 2.449 2.682 5.893 0.8100 0.0779 -0.3105
3501MeOH H310503 2.523 2.744 5.918 0.0739 1.0448 -0.4786
3502MeOH Me110504 3.818 1.395 9.276 0.5314 -0.4930 -0.1952
3502MeOH O210505 3.934 1.356 9.185 0.7979 -0.1082 -0.0188
3502MeOH H310506 3.999 1.300 9.238 0.6813 -0.2674 -0.0435
3503MeOH Me110507 1.128 2.305 8.080 0.1132 -0.8219 0.1364
3503MeOH O210508 1.226 2.421 8.095 -0.5000 -0.3064 0.2144
3503MeOH H310509 1.220 2.478 8.013 0.9951 -1.6936 -0.9395
3504MeOH Me110510 2.950 2.224 6.595 -0.1365 0.1319 0.0971
3504MeOH O210511 3.064 2.258 6.691 -0.3615 0.2327 0.3256
3504MeOH H310512 3.060 2.356 6.712 -0.1733 0.3359 -0.1189
3505MeOH Me110513 1.067 1.479 6.273 -0.5013 -0.1104 0.1283
3505MeOH O210514 1.215 1.516 6.275 -0.4111 -0.4830 0.3925
3505MeOH H310515 1.233 1.579 6.199 -0.2472 -0.0174 0.8144
3506MeOH Me110516 0.227 4.467 3.012 0.2105 -0.7794 0.0917
3506MeOH O210517 0.359 4.541 2.994 -0.2382 -0.0483 -0.2142
3506MeOH H310518 0.429 4.476 2.963 0.7603 -0.2895 2.3355
3507MeOH Me110519 1.264 1.597 3.082 0.0330 0.4941 0.1371
3507MeOH O210520 1.236 1.656 3.220 -0.3149 0.7574 -0.0432
3507MeOH H310521 1.138 1.648 3.238 0.0687 -3.1141 1.4318
3508MeOH Me110522 2.759 3.312 6.521 -0.2734 0.5535 -0.1565
3508MeOH O210523 2.792 3.165 6.496 0.5233 0.7408 -0.2507
3508MeOH H310524 2.843 3.130 6.574 -1.0477 0.4365 0.6752
3509MeOH Me110525 2.536 1.696 4.413 0.1215 -0.0417 -0.0811
3509MeOH O210526 2.532 1.690 4.566 -0.7528 -0.2253 -0.1078
3509MeOH H310527 2.619 1.652 4.598 -1.6660 -2.1276 0.2537
3510MeOH Me110528 3.902 2.208 3.366 0.1025 0.2994 -0.8495
3510MeOH O210529 4.004 2.126 3.288 0.4739 0.1115 -0.1736
3510MeOH H310530 3.992 2.144 3.190 -1.2032 -2.4979 -0.5571
3511MeOH Me110531 0.243 1.809 5.936 -0.2240 -0.1054 -0.0022
3511MeOH O210532 0.189 1.750 5.805 -0.3859 0.1903 -0.0673
3511MeOH H310533 0.152 1.659 5.823 -0.9853 0.4252 -0.0846
3512MeOH Me110534 0.874 0.594 10.876 -0.2153 0.2729 0.2500
3512MeOH O210535 0.947 0.622 10.745 0.0048 -0.1863 0.2716
3512MeOH H310536 0.884 0.668 10.683 0.1657 -0.2333 0.0717
3513MeOH Me110537 1.544 4.117 4.891 -0.4593 0.2018 -0.0463
3513MeOH O210538 1.541 4.267 4.863 -0.0308 0.3035 0.4521
3513MeOH H310539 1.556 4.316 4.950 0.5291 -0.0261 0.5439
3514MeOH Me110540 0.648 4.196 6.899 0.4140 0.0739 0.0188
3514MeOH O210541 0.736 4.155 7.017 0.7162 0.3556 -0.1039
3514MeOH H310542 0.677 4.116 7.088 0.8533 0.8463 0.2830
3515MeOH Me110543 1.486 3.916 10.899 -0.1145 0.2874 -0.1721
3515MeOH O210544 1.440 3.883 10.757 -0.5984 -0.3866 0.1432
3515MeOH H310545 1.443 3.966 10.702 -0.9138 -0.6195 -0.2355
3516MeOH Me110546 0.620 2.804 4.438 0.4528 -0.5095 -0.0112
3516MeOH O210547 0.656 2.794 4.289 0.2940 0.1214 -0.0898
3516MeOH H310548 0.600 2.860 4.239 -0.7309 -0.5883 0.0943
3517MeOH Me110549 3.729 3.107 6.342 -0.2403 0.6719 0.7074
3517MeOH O210550 3.603 3.155 6.271 -0.4422 -0.4301 0.2911
3517MeOH H310551 3.599 3.113 6.180 0.7746 0.3084 -0.1386
3518MeOH Me110552 2.792 0.182 9.860 0.6063 -0.3082 -0.2704
3518MeOH O210553 2.755 0.033 9.868 0.4452 -0.2784 -0.4674
3518MeOH H310554 2.818 -0.012 9.931 0.0748 -0.3327 -0.1367
3519MeOH Me110555 3.876 2.700 29.439 0.1509 0.2904 0.1592
3519MeOH O210556 3.760 2.769 29.511 -0.7861 -0.4135 -0.6397
3519MeOH H310557 3.718 2.704 29.574 -1.4186 -0.9276 -1.5881
3520MeOH Me110558 3.527 3.085 7.583 0.0148 0.7159 -0.2228
3520MeOH O210559 3.387 3.040 7.626 0.2573 -0.0043 -0.1812
3520MeOH H310560 3.343 2.995 7.549 -0.3436 1.6658 -0.8562
3521MeOH Me110561 3.816 2.317 5.019 0.7498 0.2745 0.1697
3521MeOH O210562 3.786 2.237 5.146 0.1282 0.4520 0.1371
3521MeOH H310563 3.747 2.149 5.119 -1.1776 1.0150 0.1200
3522MeOH Me110564 4.915 5.026 1.717 -0.5871 0.1257 0.3905
3522MeOH O210565 5.020 4.958 1.805 -0.4625 0.3210 0.3913
3522MeOH H310566 5.053 5.025 1.872 -1.8009 -0.0784 1.4929
3523MeOH Me110567 0.820 1.120 3.762 -0.0762 -0.2098 0.2503
3523MeOH O210568 0.751 1.250 3.719 0.0513 -0.1553 0.2100
3523MeOH H310569 0.652 1.240 3.733 0.0186 -0.1448 -0.0238
3524MeOH Me110570 2.113 1.971 5.938 0.4054 -0.3917 -0.5513
3524MeOH O210571 2.028 2.011 5.817 -0.1665 0.2924 0.0668
3524MeOH H310572 2.081 1.994 5.734 -0.4435 1.0370 -0.2736
3525MeOH Me110573 2.135 2.708 3.557 -0.1795 -0.1513 -0.7885
3525MeOH O210574 2.190 2.690 3.699 -0.5087 0.2950 -0.6023
3525MeOH H310575 2.158 2.602 3.735 -2.1089 1.1841 0.3047
3526MeOH Me110576 2.429 2.966 7.641 -0.5956 0.6129 -0.2630
3526MeOH O210577 2.334 2.853 7.679 0.2232 0.2625 0.7505
3526MeOH H310578 2.389 2.775 7.711 0.8164 0.6877 0.7779
3527MeOH Me110579 4.866 0.470 8.388 -0.1899 -0.4713 -0.6310
3527MeOH O210580 4.930 0.564 8.286 0.0609 0.0891 0.0340
3527MeOH H310581 4.926 0.520 8.196 1.7274 -0.1297 0.0381
3528MeOH Me110582 0.270 3.196 9.482 -0.4641 0.0562 -0.0401
3528MeOH O210583 0.324 3.118 9.601 0.3923 0.6133 -0.0501
3528MeOH H310584 0.290 3.024 9.595 -0.5958 0.8584 1.2232
3529MeOH Me110585 3.658 2.174 29.762 0.0785 -0.0346 0.0742
3529MeOH O210586 3.718 2.045 29.707 0.4877 0.1663 0.0458
3529MeOH H310587 3.805 2.027 29.753 1.1035 1.0201 -0.7402
3530MeOH Me110588 3.561 2.642 4.450 -0.2882 -0.3329 -0.5649
3530MeOH O210589 3.569 2.794 4.468 -0.0779 -0.3998 -0.0687
3530MeOH H310590 3.481 2.834 4.442 -0.5707 -0.3419 1.6096
3531MeOH Me110591 3.120 4.551 0.215 0.3442 -0.2202 -0.4099
3531MeOH O210592 3.003 4.573 0.119 -0.3231 0.1518 0.4729
3531MeOH H310593 3.016 4.514 0.039 -0.5454 0.8999 -0.1278
3532MeOH Me110594 4.369 3.752 7.409 0.2814 -0.3938 0.0010
3532MeOH O210595 4.306 3.837 7.520 -0.1340 -0.5562 -0.1088
3532MeOH H310596 4.379 3.871 7.579 -0.4183 -1.3778 0.7438
3533MeOH Me110597 2.981 0.192 2.828 -0.1341 0.7082 -0.4602
3533MeOH O210598 3.016 0.281 2.947 0.0991 0.3600 -0.2660
3533MeOH H310599 2.955 0.360 2.946 -0.5497 -0.1042 0.6247
3534MeOH Me110600 0.339 2.077 29.412 -0.0179 0.6297 -0.1626
3534MeOH O210601 0.376 2.216 29.360 0.2437 0.6442 0.0578
3534MeOH H310602 0.419 2.267 29.434 -0.6917 0.8412 0.4684
3535MeOH Me110603 2.977 1.702 3.836 -0.0670 0.1414 0.5139
3535MeOH O210604 3.012 1.621 3.711 0.2047 0.2253 0.5346
3535MeOH H310605 3.073 1.676 3.654 -0.0715 0.4625 0.4648
3536MeOH Me110606 2.295 4.366 8.929 -0.0806 0.5104 -0.2159
3536MeOH O210607 2.149 4.367 8.974 0.1716 -0.6855 0.6851
3536MeOH H310608 2.140 4.310 9.056 1.3988 0.3536 1.5631
3537MeOH Me110609 3.319 4.284 0.562 0.6406 -0.1698 -0.0256
3537MeOH O210610 3.170 4.248 0.568 0.5108 0.1567 -1.0834
3537MeOH H310611 3.120 4.328 0.601 0.5794 -0.0593 -0.4504
3538MeOH Me110612 1.798 2.864 2.814 -0.1682 0.0605 -0.3653
3538MeOH O210613 1.717 2.920 2.930 -0.2347 -0.0520 -0.3570
3538MeOH H310614 1.700 2.847 2.996 -0.3844 -0.1470 -0.5003
3539MeOH Me110615 0.318 3.090 5.697 0.0029 -0.3628 0.4268
3539MeOH O210616 0.355 3.205 5.604 -0.4715 -0.4566 0.1208
3539MeOH H310617 0.350 3.291 5.656 0.0357 -0.4345 0.1406
3540MeOH Me110618 0.887 2.904 4.943 -0.3884 -0.1356 0.3208
3540MeOH O210619 0.739 2.888 4.981 -0.4428 -0.1435 0.1068
3540MeOH H310620 0.700 2.816 4.924 0.1608 -1.5788 1.4239
3541MeOH Me110621 1.748 0.806 4.897 -0.0372 0.5032 -0.2270
3541MeOH O210622 1.855 0.906 4.943 -0.1510 0.5160 0.0104
3541MeOH H310623 1.944 0.859 4.943 -0.3290 0.1252 1.5372
3542MeOH Me110624 0.090 0.138 6.944 -0.1908 -0.5870 -0.0938
3542MeOH O210625 0.012 0.264 6.905 0.4519 0.0309 0.5854
3542MeOH H310626 0.007 0.268 6.805 -0.4222 0.0374 0.6207
3543MeOH Me110627 0.860 2.142 7.651 0.3411 0.1650 0.0233
3543MeOH O210628 0.954 2.051 7.730 0.3166 0.1568 0.0469
3543MeOH H310629 1.042 2.097 7.739 0.3954 0.0382 -0.1297
3544MeOH Me110630 1.349 4.455 9.605 -0.4773 -0.5701 0.5565
3544MeOH O210631 1.343 4.508 9.462 0.0310 -0.6198 0.5143
3544MeOH H310632 1.392 4.445 9.402 -0.5438 -1.1276 0.5680
3545MeOH Me110633 4.636 0.747 29.562 0.5957 -0.4593 -0.3030
3545MeOH O210634 4.556 0.627 29.612 0.4796 -0.0983 0.3822
3545MeOH H310635 4.495 0.658 29.685 -0.9032 0.7794 -1.0937
3546MeOH Me110636 0.117 1.634 4.888 -0.5418 0.1321 0.2527
3546MeOH O210637 0.090 1.591 5.032 -0.5893 -0.0718 0.1839
3546MeOH H310638 0.158 1.635 5.092 -1.2897 0.7303 0.4034
3547MeOH Me110639 4.503 3.655 2.884 0.0666 0.4699 -0.1449
3547MeOH O210640 4.444 3.551 2.789 0.8471 -0.0824 -0.0363
3547MeOH H310641 4.453 3.585 2.695 0.0519 0.1692 -0.0298
3548MeOH Me110642 0.884 3.057 9.755 -0.1618 0.3621 -0.0680
3548MeOH O210643 0.826 3.141 9.868 -0.2963 0.4025 -0.1653
3548MeOH H310644 0.728 3.122 9.875 0.4251 -3.6026 3.0323
3549MeOH Me110645 2.152 1.573 9.008 -0.0266 0.0509 0.5140
3549MeOH O210646 2.198 1.438 8.953 0.0607 0.2506 0.0949
3549MeOH H310647 2.181 1.368 9.022 -0.7103 -0.1218 -0.4491
3550MeOH Me110648 2.518 0.843 8.144 0.9748 -0.0202 -0.3064
3550MeOH O210649 2.483 0.975 8.076 0.8716 0.4714 0.6911
3550MeOH H310650 2.412 1.021 8.130 -1.8768 -1.6988 -0.8229
3551MeOH Me110651 1.406 1.176 4.511 -0.0454 0.2402 -0.1269
3551MeOH O210652 1.278 1.127 4.443 -0.2547 0.1373 0.3362
3551MeOH H310653 1.261 1.184 4.363 0.0287 -0.5829 -0.2469
3552MeOH Me110654 2.746 3.773 10.842 0.7253 -0.3545 0.0488
3552MeOH O210655 2.764 3.678 10.723 0.7069 -0.0239 -0.2218
3552MeOH H310656 2.860 3.653 10.717 0.3904 -1.8540 1.1483
3553MeOH Me110657 4.168 3.996 5.763 0.1384 0.3235 -0.1138
3553MeOH O210658 4.101 4.117 5.697 -0.3944 0.0673 -0.0493
3553MeOH H310659 4.124 4.198 5.750 0.9002 0.4310 -1.1242
3554MeOH Me110660 2.414 4.285 2.128 0.3662 0.1509 -0.1050
3554MeOH O210661 2.316 4.317 2.015 0.1363 0.3546 0.1469
3554MeOH H310662 2.230 4.268 2.032 0.5406 -0.5360 -0.3378
3555MeOH Me110663 3.549 4.440 4.711 0.2992 -0.1094 0.0260
3555MeOH O210664 3.495 4.499 4.581 0.2293 0.3788 0.2769
3555MeOH H310665 3.425 4.438 4.545 1.1325 -0.1649 -0.6059
3556MeOH Me110666 0.881 4.048 9.296 0.1768 0.0737 0.3623
3556MeOH O210667 0.842 3.963 9.175 -0.8847 0.2081 0.6000
3556MeOH H310668 0.914 3.971 9.106 -1.4818 0.2810 -0.0276
3557MeOH Me110669 4.049 2.637 6.886 -0.4055 -0.4723 0.0045
3557MeOH O210670 3.949 2.678 6.995 -0.3253 0.1116 -0.1367
3557MeOH H310671 3.948 2.607 7.065 -0.6470 0.2419 -0.0090
3558MeOH Me110672 0.364 3.301 8.340 -0.3723 0.4996 -0.2221
3558MeOH O210673 0.276 3.189 8.285 -0.4025 0.4453 -0.0637
3558MeOH H310674 0.334 3.121 8.240 -0.3326 -0.0744 0.7788
3559MeOH Me110675 1.764 4.893 0.429 0.3423 -0.2031 0.0994
3559MeOH O210676 1.762 4.931 0.281 -0.2264 -0.6197 -0.0028
3559MeOH H310677 1.836 4.883 0.235 -0.3878 -0.7293 -0.1504
3560MeOH Me110678 0.236 0.083 2.288 -0.6195 0.1035 -0.6255
3560MeOH O210679 0.388 0.079 2.300 -0.6564 0.2068 -0.1365
3560MeOH H310680 0.414 0.121 2.388 -1.0764 -1.4520 0.8137
3561MeOH Me110681 1.275 4.362 11.121 -0.3507 -0.4001 0.4573
3561MeOH O210682 1.160 4.447 11.067 -0.2547 -0.2554 0.4766
3561MeOH H310683 1.194 4.503 10.992 -0.8586 -2.3587 -1.4384
3562MeOH Me110684 0.380 0.222 5.490 0.0103 0.5811 -0.1267
3562MeOH O210685 0.333 0.228 5.636 -0.0211 -0.2771 -0.0952
3562MeOH H310686 0.362 0.144 5.682 0.3871 -0.3385 -0.4560
3563MeOH Me110687 1.731 2.338 10.259 -0.2860 -0.1902 0.0944
3563MeOH O210688 1.761 2.193 10.221 0.3753 -0.1707 0.5142
3563MeOH H310689 1.803 2.147 10.300 1.2651 0.4435 0.4092
3564MeOH Me110690 4.422 1.285 5.364 0.2857 -0.6876 0.6183
3564MeOH O210691 4.555 1.272 5.290 0.0085 0.1241 -0.0304
3564MeOH H310692 4.555 1.337 5.214 -0.3487 0.8165 0.5482
3565MeOH Me110693 2.042 1.498 0.085 0.4205 -0.3762 0.1195
3565MeOH O210694 2.109 1.588 -0.020 -0.5066 0.2676 0.0710
3565MeOH H310695 2.164 1.657 0.028 -1.9440 1.4739 0.0656
3566MeOH Me110696 0.937 1.781 5.554 -0.2610 -0.4156 -0.2187
3566MeOH O210697 0.839 1.838 5.452 -0.6632 -0.0187 0.3903
3566MeOH H310698 0.747 1.804 5.473 0.0859 -5.0828 -2.7549
3567MeOH Me110699 3.914 4.908 11.454 -0.2783 -0.2257 0.1523
3567MeOH O210700 3.959 4.789 11.538 0.2405 -0.2915 -0.2209
3567MeOH H310701 3.951 4.706 11.482 2.6393 0.0577 -1.2394
3568MeOH Me110702 3.840 1.572 0.426 0.5498 0.4272 -0.3301
3568MeOH O210703 3.901 1.696 0.360 0.0617 0.7084 -0.2564
3568MeOH H310704 3.948 1.668 0.276 -0.3712 1.0327 -0.6172
3569MeOH Me110705 1.925 0.146 29.425 -0.4370 -0.0696 -0.2451
3569MeOH O210706 1.952 0.195 29.567 -0.2778 0.2055 -0.3704
3569MeOH H310707 1.865 0.221 29.609 -0.2176 0.3957 -0.3651
3570MeOH Me110708 2.959 3.429 3.842 -0.0238 -0.0288 0.1524
3570MeOH O210709 2.966 3.287 3.899 0.0166 0.0851 0.4304
3570MeOH H310710 3.023 3.289 3.981 -0.3240 0.3406 0.6644
3571MeOH Me110711 2.633 2.298 2.375 0.2592 0.1261 0.6379
3571MeOH O210712 2.509 2.358 2.310 0.5597 -0.2872 -0.3292
3571MeOH H310713 2.515 2.345 2.211 0.6228 -1.6868 -0.1611
3572MeOH Me110714 4.164 0.911 6.605 -0.2249 -0.1315 0.0146
3572MeOH O210715 4.133 0.834 6.477 0.1557 -0.0127 -0.1492
3572MeOH H310716 4.074 0.757 6.499 -2.0222 1.3867 -0.7258
3573MeOH Me110717 3.407 1.662 2.075 0.2270 0.0277 0.4231
3573MeOH O210718 3.327 1.790 2.051 -0.3148 -0.3152 0.3711
3573MeOH H310719 3.324 1.808 1.952 -2.9852 -2.0023 0.0415
3574MeOH Me110720 3.278 1.256 29.568 -0.3814 -0.0715 -0.8464
3574MeOH O210721 3.249 1.107 29.586 0.2201 -0.1470 -0.5008
3574MeOH H310722 3.163 1.085 29.539 -0.7255 -0.2013 1.1702
3575MeOH Me110723 3.796 2.648 8.997 0.0956 0.0027 0.0722
3575MeOH O210724 3.939 2.668 9.047 0.0723 0.1693 0.0718
3575MeOH H310725 3.981 2.579 9.063 0.4536 0.2010 -0.7053
3576MeOH Me110726 1.981 2.899 3.882 -0.0544 0.2785 0.1595
3576MeOH O210727 1.906 3.019 3.940 -0.6233 0.1550 -0.3061
3576MeOH H310728 1.937 3.102 3.892 -2.0069 -0.0213 -1.5762
3577MeOH Me110729 3.175 2.782 4.414 -0.0405 0.7143 -0.2726
3577MeOH O210730 3.298 2.856 4.469 0.3173 -0.3395 0.3763
3577MeOH H310731 3.275 2.953 4.479 1.5664 0.1727 -1.2376
3578MeOH Me110732 4.224 2.528 4.169 -0.4552 -0.5441 0.0927
3578MeOH O210733 4.220 2.462 4.307 0.0673 -0.3127 0.2044
3578MeOH H310734 4.124 2.448 4.333 0.1650 -0.2790 0.5940
3579MeOH Me110735 3.509 0.622 7.742 -0.1773 0.0325 -0.4467
3579MeOH O210736 3.509 0.769 7.784 -0.1464 -0.2240 0.4802
3579MeOH H310737 3.439 0.782 7.855 -1.6375 -0.2328 -0.9451
3580MeOH Me110738 2.781 1.227 1.966 0.1764 -0.6010 0.7804
3580MeOH O210739 2.741 1.349 2.048 0.3994 -0.2968 0.4414
3580MeOH H310740 2.757 1.329 2.145 -1.4997 -0.8062 0.6909
3581MeOH Me110741 3.954 1.915 5.101 0.2622 -0.3828 0.5072
3581MeOH O210742 4.045 1.794 5.075 0.6475 0.0208 -0.0485
3581MeOH H310743 4.072 1.755 5.163 1.7847 0.4498 -0.1961
3582MeOH Me110744 1.777 2.198 5.802 0.1878 -0.2629 0.3568
3582MeOH O210745 1.677 2.270 5.893 0.6548 0.3314 0.4076
3582MeOH H310746 1.597 2.212 5.904 0.6611 0.4417 1.1112
3583MeOH Me110747 0.609 1.778 3.895 0.5193 0.3132 0.1889
3583MeOH O210748 0.573 1.835 3.758 -0.3785 -0.3361 0.1473
3583MeOH H310749 0.530 1.924 3.771 1.1063 0.4408 -0.0319
3584MeOH Me110750 2.978 1.823 1.992 -0.2721 -0.1835 -0.4499
3584MeOH O210751 2.923 1.927 1.895 0.4349 0.1045 -0.5512
3584MeOH H310752 2.996 1.992 1.872 0.9420 -0.5507 -0.8001
3585MeOH Me110753 2.002 0.762 4.432 -0.3522 0.1421 -0.0404
3585MeOH O210754 2.039 0.908 4.457 0.4390 -0.0897 0.1522
3585MeOH H310755 2.116 0.911 4.521 0.9891 -0.6154 -0.4728
3586MeOH Me110756 4.597 1.801 8.031 -0.1518 -0.0458 -0.2633
3586MeOH O210757 4.719 1.719 8.075 -0.2495 0.0764 0.2449
3586MeOH H310758 4.691 1.658 8.149 -0.3266 0.5562 0.6153
3587MeOH Me110759 3.606 2.014 1.158 0.0225 -0.2643 -0.5268
3587MeOH O210760 3.636 1.865 1.161 0.2145 -0.2096 0.4858
3587MeOH H310761 3.727 1.850 1.123 0.1304 -0.3782 0.3511
3588MeOH Me110762 0.180 3.187 3.244 0.0187 0.1847 0.2285
3588MeOH O210763 0.125 3.101 3.358 0.2532 -0.2323 0.0301
3588MeOH H310764 0.038 3.140 3.388 -1.3436 -2.1494 -1.8025
3589MeOH Me110765 4.311 3.439 4.869 0.8805 0.2953 -0.0547
3589MeOH O210766 4.316 3.289 4.899 -0.2934 0.3398 0.3920
3589MeOH H310767 4.271 3.273 4.987 0.6047 1.1099 1.0228
3590MeOH Me110768 2.614 3.480 7.067 -0.1717 1.0772 -0.1969
3590MeOH O210769 2.609 3.482 7.220 0.3930 0.2001 -0.1571
3590MeOH H310770 2.664 3.560 7.252 0.6075 -0.0523 0.0907
3591MeOH Me110771 1.783 1.956 2.618 -0.0558 -0.1229 -0.1146
3591MeOH O210772 1.746 2.046 2.736 -0.0822 -0.0332 -0.1907
3591MeOH H310773 1.650 2.072 2.727 -0.8407 -2.1766 1.1653
3592MeOH Me110774 1.661 3.867 8.050 -0.0807 0.5114 -0.0715
3592MeOH O210775 1.814 3.870 8.051 -0.0743 0.0781 0.3303
3592MeOH H310776 1.847 3.793 8.107 -0.4283 -0.3518 -0.0440
3593MeOH Me110777 2.849 1.636 5.302 -0.0604 -0.2666 -0.3781
3593MeOH O210778 2.820 1.486 5.307 0.3838 -0.3334 0.4450
3593MeOH H310779 2.721 1.473 5.315 0.4360 -0.5830 0.7175
3594MeOH Me110780 2.362 2.114 3.993 0.0591 -0.0683 -0.2449
3594MeOH O210781 2.215 2.146 4.021 0.1291 0.3814 -0.3859
3594MeOH H310782 2.162 2.061 4.016 -0.1764 0.5915 -0.7500
3595MeOH Me110783 1.641 0.192 4.014 -0.1914 0.3371 0.3103
3595MeOH O210784 1.732 0.315 4.021 0.1729 0.0797 0.1440
3595MeOH H310785 1.762 0.338 3.929 1.4198 -1.0037 0.2516
3596MeOH Me110786 4.506 0.599 0.783 -0.1342 -0.3506 0.6235
3596MeOH O210787 4.377 0.677 0.808 0.0516 0.1476 0.0608
3596MeOH H310788 4.370 0.696 0.906 -0.8780 -0.8686 0.2143
3597MeOH Me110789 2.084 4.016 10.788 -0.7732 -0.0787 0.2585
3597MeOH O210790 2.132 3.959 10.654 -0.1972 0.2130 0.3400
3597MeOH H310791 2.083 4.006 10.581 0.6148 0.8595 0.1958
3598MeOH Me110792 2.959 0.498 6.808 -0.2888 -0.2477 -0.5868
3598MeOH O210793 3.106 0.505 6.766 -0.1137 -0.0909 0.0543
3598MeOH H310794 3.125 0.430 6.703 0.4162 -0.4314 0.6118
3599MeOH Me110795 4.495 5.045 4.825 -0.3084 -0.0834 -0.3935
3599MeOH O210796 4.555 4.922 4.893 -0.0008 0.3405 0.1043
3599MeOH H310797 4.624 4.883 4.833 -0.3833 -0.1271 -0.0397
3600MeOH Me110798 2.215 2.538 9.052 0.2282 -0.2615 -0.3234
3600MeOH O210799 2.360 2.577 9.021 0.0986 0.3354 -0.1965
3600MeOH H310800 2.366 2.677 9.017 -0.2849 0.3648 -0.0792
3601MeOH Me110801 1.011 2.314 9.878 -0.1544 0.0486 -0.2330
3601MeOH O210802 0.943 2.443 9.926 0.1745 0.1547 -0.0587
3601MeOH H310803 1.000 2.484 9.996 1.5061 1.2108 -1.6802
3602MeOH Me110804 3.525 0.417 29.871 -0.2763 0.4675 -0.2422
3602MeOH O210805 3.487 0.382 30.015 0.1518 -0.5448 -0.3771
3602MeOH H310806 3.531 0.447 30.077 -1.6376 0.6002 -0.2188
3603MeOH Me110807 2.849 1.622 9.400 -0.4024 0.5651 -0.1202
3603MeOH O210808 2.840 1.693 9.535 0.0141 0.0706 0.1679
3603MeOH H310809 2.790 1.633 9.599 2.5643 -1.4082 0.9340
3604MeOH Me110810 0.328 1.723 5.353 0.4699 -0.4485 0.0803
3604MeOH O210811 0.216 1.704 5.251 0.2449 0.2905 0.1852
3604MeOH H310812 0.184 1.795 5.223 -0.2402 0.5014 1.3620
3605MeOH Me110813 1.827 4.150 8.640 -0.1573 -0.2661 -0.0241
3605MeOH O210814 1.831 4.303 8.636 0.5169 -0.2697 0.2775
3605MeOH H310815 1.831 4.337 8.729 1.7555 -0.4736 0.3632
3606MeOH Me110816 3.755 3.319 5.552 0.2369 0.1292 0.4559
3606MeOH O210817 3.842 3.381 5.443 -0.8635 -0.1380 -0.6057
3606MeOH H310818 3.856 3.478 5.465 -0.3965 -0.1523 -0.8261
3607MeOH Me110819 4.534 1.365 29.235 0.1023 0.1040 -0.3441
3607MeOH O210820 4.463 1.275 29.336 -0.0412 0.4044 -0.1728
3607MeOH H310821 4.442 1.328 29.418 1.3337 0.2357 0.3110
3608MeOH Me110822 4.343 4.170 6.196 0.1120 0.3680 -0.5165
3608MeOH O210823 4.393 4.063 6.098 0.0250 -0.0794 -0.0757
3608MeOH H310824 4.481 4.092 6.060 0.1679 -0.4234 -0.0165
3609MeOH Me110825 3.306 1.942 5.944 0.3107 0.3316 0.3032
3609MeOH O210826 3.185 2.035 5.954 -0.3439 -0.4565 -0.1720
3609MeOH H310827 3.216 2.124 5.987 -0.7952 0.2644 -1.6062
3610MeOH Me110828 1.933 4.726 2.525 0.6984 -0.1637 0.3817
3610MeOH O210829 1.987 4.869 2.539 -0.4709 0.3486 -0.1978
3610MeOH H310830 2.008 4.886 2.635 2.8554 -0.4030 -0.6801
3611MeOH Me110831 4.682 0.307 29.675 0.2247 -0.3939 -0.2365
3611MeOH O210832 4.697 0.441 29.747 -0.1445 -0.6905 0.3988
3611MeOH H310833 4.630 0.505 29.709 0.6080 -0.2898 -0.2579
3612MeOH Me110834 2.552 2.132 0.977 0.0699 -0.1920 -0.1698
3612MeOH O210835 2.666 2.100 1.073 -0.2744 -1.0653 -0.0364
3612MeOH H310836 2.735 2.046 1.024 -0.8276 -1.9589 0.1673
3613MeOH Me110837 0.574 2.530 2.766 -0.1982 -0.8533 0.1026
3613MeOH O210838 0.486 2.564 2.886 0.0346 -0.0970 0.0649
3613MeOH H310839 0.518 2.512 2.965 -0.6330 -0.6074 0.0059
3614MeOH Me110840 1.214 3.868 3.475 0.0301 0.2196 -0.1902
3614MeOH O210841 1.156 3.872 3.333 -0.1481 0.6194 -0.1080
3614MeOH H310842 1.065 3.912 3.338 0.5180 2.2360 -0.1089
3615MeOH Me110843 0.376 4.069 5.688 -0.2661 -0.6933 0.3834
3615MeOH O210844 0.488 4.014 5.599 0.0052 0.3538 0.0749
3615MeOH H310845 0.463 4.032 5.504 0.5859 2.0420 0.1981
3616MeOH Me110846 2.288 2.316 4.452 -0.0828 -0.0136 0.1344
3616MeOH O210847 2.154 2.275 4.389 0.1799 0.3501 -0.6801
3616MeOH H310848 2.130 2.184 4.424 0.1239 0.0588 -1.4685
3617MeOH Me110849 3.344 0.344 7.301 0.2520 0.1824 0.1381
3617MeOH O210850 3.423 0.216 7.274 -0.3260 -0.0740 -0.3642
3617MeOH H310851 3.403 0.150 7.347 -0.8946 -0.4048 -0.8100
3618MeOH Me110852 3.334 1.995 4.912 0.3513 -0.0284 0.0413
3618MeOH O210853 3.287 2.098 4.810 0.2947 0.5795 0.6703
3618MeOH H310854 3.221 2.159 4.854 0.4504 0.4265 1.1139
3619MeOH Me110855 3.023 0.667 4.234 0.1542 -0.0397 0.4632
3619MeOH O210856 3.013 0.529 4.302 0.3008 -0.4150 -0.2698
3619MeOH H310857 2.999 0.460 4.231 2.2270 -0.2882 -0.8383
3620MeOH Me110858 3.699 4.246 4.426 -0.3730 -0.2462 0.0585
3620MeOH O210859 3.615 4.136 4.361 -0.1855 -0.0148 -0.5631
3620MeOH H310860 3.533 4.177 4.323 -1.3811 -0.2198 1.6285
3621MeOH Me110861 2.061 4.232 7.031 0.2498 -0.0233 -0.7755
3621MeOH O210862 2.056 4.112 7.126 0.2750 0.5819 -0.0024
3621MeOH H310863 2.133 4.052 7.105 0.0597 0.2611 0.1231
3622MeOH Me110864 4.968 0.634 3.502 -0.4067 -0.2475 0.3890
3622MeOH O210865 4.828 0.597 3.454 0.0272 -0.5735 -0.6464
3622MeOH H310866 4.824 0.498 3.439 0.3602 -0.5837 -0.6697
3623MeOH Me110867 3.498 4.115 9.464 0.1626 -0.3252 -0.2587
3623MeOH O210868 3.546 3.980 9.409 -0.1567 -0.4276 -0.2855
3623MeOH H310869 3.526 3.977 9.311 -1.1739 -0.8044 -0.0808
3624MeOH Me110870 5.007 1.832 9.665 0.2837 0.8428 0.0916
3624MeOH O210871 4.863 1.864 9.703 0.1749 0.0746 0.3367
3624MeOH H310872 4.806 1.858 9.621 0.2205 0.6332 0.2558
3625MeOH Me110873 2.629 0.862 2.024 0.1573 -0.2970 0.7072
3625MeOH O210874 2.636 0.817 2.171 0.1417 0.1830 0.8582
3625MeOH H310875 2.562 0.861 2.221 -0.2913 -0.1880 0.5546
3626MeOH Me110876 1.887 1.486 0.896 -0.0649 -0.5746 -0.2334
3626MeOH O210877 1.847 1.505 0.749 0.0140 -0.2731 -0.2188
3626MeOH H310878 1.803 1.594 0.739 2.6584 1.1037 -0.5979
3627MeOH Me110879 0.171 1.262 2.441 0.2195 -0.6695 -0.1675
3627MeOH O210880 0.207 1.194 2.309 0.3230 -0.2995 -0.3208
3627MeOH H310881 0.125 1.190 2.252 0.9725 2.5910 -1.6504
3628MeOH Me110882 3.062 3.583 5.347 -0.2739 0.5402 -0.1722
3628MeOH O210883 3.145 3.684 5.426 0.1686 0.0068 0.0565
3628MeOH H310884 3.242 3.667 5.408 0.1871 -1.5323 1.4373
3629MeOH Me110885 1.018 1.029 1.448 0.3682 0.4729 0.2362
3629MeOH O210886 1.045 0.922 1.342 -0.3607 -0.3737 0.9017
3629MeOH H310887 1.137 0.884 1.357 1.7264 2.9058 -2.0038
3630MeOH Me110888 0.478 0.244 1.184 0.2850 -0.8782 0.4103
3630MeOH O210889 0.365 0.215 1.086 -0.0680 0.2341 0.4763
3630MeOH H310890 0.364 0.288 1.017 -0.0238 0.7701 1.0342
3631MeOH Me110891 0.780 2.684 9.175 0.3815 0.3261 0.3984
3631MeOH O210892 0.879 2.574 9.215 0.0464 0.0037 0.3320
3631MeOH H310893 0.903 2.585 9.311 1.6477 1.1311 -0.1495
3632MeOH Me110894 4.986 0.783 1.477 0.3338 0.1807 0.2754
3632MeOH O210895 4.886 0.780 1.592 -0.2643 -0.0607 -0.2449
3632MeOH H310896 4.808 0.838 1.569 -1.2329 -1.7404 -1.4887
3633MeOH Me110897 2.340 4.941 29.839 -0.1156 -0.0415 -0.3170
3633MeOH O210898 2.357 4.789 29.837 0.3327 0.0018 0.1422
3633MeOH H310899 2.442 4.767 29.788 -0.3422 0.0416 -1.0712
3634MeOH Me110900 3.489 0.114 4.401 -0.0422 -0.1427 -0.1717
3634MeOH O210901 3.484 0.090 4.250 -0.0276 -0.3335 -0.1422
3634MeOH H310902 3.569 0.045 4.222 -0.4240 -1.2327 0.0708
3635MeOH Me110903 1.188 0.649 10.545 -0.0609 0.4984 0.0777
3635MeOH O210904 1.166 0.523 10.631 0.0359 0.3246 -0.1508
3635MeOH H310905 1.087 0.539 10.691 0.2891 0.3196 0.1860
3636MeOH Me110906 0.464 2.388 8.801 0.6575 -0.0424 -0.3907
3636MeOH O210907 0.382 2.501 8.863 0.4093 -0.5586 0.2304
3636MeOH H310908 0.312 2.461 8.923 0.8288 -1.0165 0.4194
3637MeOH Me110909 2.987 2.596 10.260 -0.6233 -0.0767 0.3083
3637MeOH O210910 2.893 2.697 10.194 -0.1497 -0.1821 -0.5458
3637MeOH H310911 2.874 2.770 10.260 1.3489 1.2475 -1.6211
3638MeOH Me110912 1.971 4.056 9.641 -0.8677 0.4649 -0.3698
3638MeOH O210913 1.926 4.191 9.586 -0.7291 0.4826 -0.4399
3638MeOH H310914 1.958 4.263 9.648 0.7869 0.6243 -1.3163
3639MeOH Me110915 4.271 4.351 7.872 -0.1989 -0.1191 -0.0580
3639MeOH O210916 4.355 4.283 7.764 0.2960 -0.1860 0.3630
3639MeOH H310917 4.317 4.308 7.674 0.6410 -0.3194 0.1794
3640MeOH Me110918 0.394 0.590 9.673 0.2903 0.1419 0.4986
3640MeOH O210919 0.490 0.568 9.556 -0.4005 -0.0805 -0.0312
3640MeOH H310920 0.453 0.495 9.498 -0.8080 -0.1036 0.2509
3641MeOH Me110921 1.991 3.877 6.277 -0.3780 0.0253 -0.0294
3641MeOH O210922 1.933 3.780 6.380 0.3632 -0.5150 -0.1105
3641MeOH H310923 1.844 3.747 6.347 1.0835 -2.0136 -0.6499
3642MeOH Me110924 1.297 4.332 0.052 -0.6195 0.1760 -0.1379
3642MeOH O210925 1.222 4.201 0.073 -0.3389 -0.0353 -0.4448
3642MeOH H310926 1.229 4.176 0.170 3.1371 -2.3169 -1.0784
3643MeOH Me110927 1.700 3.026 9.789 0.2326 -0.4953 0.7612
3643MeOH O210928 1.696 3.092 9.927 -0.2718 0.5112 0.2764
3643MeOH H310929 1.607 3.073 9.969 -0.4845 0.9541 0.0255
3644MeOH Me110930 3.150 2.159 7.465 -0.2048 -0.4414 0.1142
3644MeOH O210931 3.108 2.304 7.488 0.1236 -0.3067 -0.1258
3644MeOH H310932 3.132 2.330 7.582 0.2401 -0.1855 -0.1883
3645MeOH Me110933 1.703 0.084 -0.045 -0.4104 0.0371 -0.4651
3645MeOH O210934 1.599 0.192 -0.017 -0.0041 0.4359 -0.4766
3645MeOH H310935 1.603 0.215 0.080 -0.0960 0.2406 -0.4253
3646MeOH Me110936 4.513 4.324 29.849 0.2773 1.0920 0.1349
3646MeOH O210937 4.584 4.302 29.715 -0.5336 -0.6709 -0.0360
3646MeOH H310938 4.660 4.239 29.729 1.7271 2.0959 1.1720
3647MeOH Me110939 4.239 0.896 7.925 -0.0875 -0.2677 0.5316
3647MeOH O210940 4.363 0.942 8.002 0.6220 -0.9573 -0.1852
3647MeOH H310941 4.445 0.906 7.955 0.1756 -1.0671 -0.8932
3648MeOH Me110942 3.951 1.712 2.542 0.3813 -0.5376 0.1119
3648MeOH O210943 4.029 1.810 2.630 0.2558 0.0922 -0.4675
3648MeOH H310944 3.989 1.810 2.721 0.9016 -0.1980 -0.1803
3649MeOH Me110945 2.215 3.481 0.163 0.4333 0.3410 0.2861
3649MeOH O210946 2.111 3.410 0.077 0.4307 0.2543 0.3619
3649MeOH H310947 2.140 3.315 0.063 0.4672 0.2608 0.3931
3650MeOH Me110948 3.519 2.751 1.918 0.5775 0.3453 0.1581
3650MeOH O210949 3.550 2.604 1.892 0.0139 0.2441 0.0431
3650MeOH H310950 3.497 2.573 1.813 -1.7848 -0.0877 1.3244
3651MeOH Me110951 1.135 -0.011 6.446 -0.4471 0.1574 -0.2603
3651MeOH O210952 1.232 0.103 6.413 -0.2877 0.1775 0.2860
3651MeOH H310953 1.300 0.109 6.485 -0.7325 0.2549 0.7049
3652MeOH Me110954 4.306 3.009 10.493 -0.2404 0.2888 -0.3810
3652MeOH O210955 4.204 3.070 10.589 0.0852 0.2802 -0.0257
3652MeOH H310956 4.251 3.096 10.673 0.3572 0.1903 -0.1487
3653MeOH Me110957 1.644 4.903 3.220 0.3475 0.1085 -0.0916
3653MeOH O210958 1.749 4.800 3.177 0.0529 -0.0569 -0.3992
3653MeOH H310959 1.711 4.745 3.103 -1.2166 -1.6685 1.3514
3654MeOH Me110960 0.959 4.117 29.858 0.1853 0.4080 -0.7011
3654MeOH O210961 0.997 4.235 29.948 -0.1726 0.1210 -0.1584
3654MeOH H310962 1.086 4.216 29.989 -0.0303 0.2786 -0.3913
3655MeOH Me110963 2.323 3.387 4.941 -0.5404 -0.3158 0.0931
3655MeOH O210964 2.465 3.444 4.936 -0.5962 -0.1393 0.4458
3655MeOH H310965 2.459 3.544 4.935 -0.8741 -0.0534 -2.8038
3656MeOH Me110966 1.814 3.143 0.164 0.2907 -0.1236 0.0628
3656MeOH O210967 1.833 3.125 0.314 0.3103 0.2978 0.1117
3656MeOH H310968 1.812 3.212 0.359 1.0454 0.6345 -0.1842
3657MeOH Me110969 1.994 1.673 4.335 -0.4189 -0.3827 0.1358
3657MeOH O210970 1.969 1.797 4.420 0.7505 -0.5033 0.6797
3657MeOH H310971 1.929 1.768 4.507 -1.9671 -0.3842 -0.4401
3658MeOH Me110972 1.191 1.129 10.215 0.0481 -0.0006 0.1247
3658MeOH O210973 1.259 1.256 10.267 0.3014 0.0918 -0.4210
3658MeOH H310974 1.197 1.333 10.252 0.0091 -0.0168 0.2181
3659MeOH Me110975 4.695 1.711 6.559 -0.0454 0.3760 0.2620
3659MeOH O210976 4.768 1.698 6.425 -0.0504 0.0317 0.2903
3659MeOH H310977 4.700 1.689 6.352 -0.0373 -1.4920 0.4436
3660MeOH Me110978 4.822 1.492 0.458 0.2583 0.7427 -0.5853
3660MeOH O210979 4.952 1.550 0.514 0.3674 -0.1874 0.1421
3660MeOH H310980 4.990 1.485 0.580 -0.5437 -0.3988 0.4708
3661MeOH Me110981 1.920 3.268 8.567 0.4535 0.0004 -0.3603
3661MeOH O210982 1.914 3.352 8.439 0.1376 0.4347 -0.0622
3661MeOH H310983 1.818 3.358 8.410 -0.1045 1.5716 0.8719
3662MeOH Me110984 1.071 1.782 8.807 0.2098 -0.0350 -0.1727
3662MeOH O210985 1.059 1.804 8.656 -0.5950 -0.1396 -0.1327
3662MeOH H310986 0.985 1.746 8.621 0.0543 -1.1442 0.1041
3663MeOH Me110987 4.711 4.777 4.206 -0.2452 0.0754 0.0070
3663MeOH O210988 4.740 4.752 4.354 0.5345 -0.5546 -0.2424
3663MeOH H310989 4.753 4.840 4.399 0.1000 -0.7061 0.1921
3664MeOH Me110990 3.510 2.134 6.180 0.1690 -0.0514 0.1738
3664MeOH O210991 3.559 2.016 6.264 -0.2246 -0.2216 0.1686
3664MeOH H310992 3.499 1.938 6.247 -0.6595 0.0651 0.3935
3665MeOH Me110993 2.226 4.762 7.055 0.3901 0.0664 0.2826
3665MeOH O210994 2.198 4.783 6.906 -0.4169 0.0088 0.4253
3665MeOH H310995 2.099 4.779 6.892 -0.4865 -0.2785 0.9323
3666MeOH Me110996 4.905 1.105 1.186 -0.0471 -0.1558 0.1843
3666MeOH O210997 4.985 1.186 1.083 -0.3200 -0.1754 -0.0447
3666MeOH H310998 5.054 1.240 1.132 -0.5765 0.2863 -0.1851
3667MeOH Me110999 3.415 0.078 2.317 0.1564 0.4156 0.2072
3667MeOH O211000 3.299 0.165 2.270 -0.4727 -0.1421 0.6880
3667MeOH H311001 3.336 0.249 2.231 -1.0456 0.0646 0.5865
3668MeOH Me111002 3.807 3.989 5.922 0.9050 -0.0750 0.5064
3668MeOH O211003 3.692 4.068 5.983 0.1980 -0.6544 -0.0511
3668MeOH H311004 3.652 4.013 6.057 1.0904 -0.2521 0.7514
3669MeOH Me111005 2.347 0.418 1.812 -0.1214 0.3241 0.1241
3669MeOH O211006 2.236 0.521 1.835 -0.4968 -0.0144 -0.1609
3669MeOH H311007 2.274 0.598 1.886 -0.5917 0.5980 -0.9799
3670MeOH Me111008 1.967 1.689 8.602 0.1099 -0.1750 -0.0837
3670MeOH O211009 1.819 1.651 8.617 0.1984 -0.3686 0.3110
3670MeOH H311010 1.785 1.621 8.528 -0.1287 0.0507 0.2937
3671MeOH Me111011 3.040 1.188 4.217 -0.1062 0.6269 -0.1967
3671MeOH O211012 2.929 1.093 4.262 0.2469 0.2122 -0.1979
3671MeOH H311013 2.908 1.031 4.186 -0.0865 0.6649 -0.4844
3672MeOH Me111014 1.572 4.939 1.293 0.0494 -0.1845 -0.2236
3672MeOH O211015 1.625 4.828 1.203 -0.4364 -0.7526 0.1812
3672MeOH H311016 1.710 4.793 1.242 -0.3701 -0.6931 0.0937
3673MeOH Me111017 4.956 0.865 2.380 0.1823 -0.5404 -0.4908
3673MeOH O211018 4.910 1.011 2.384 0.0843 -0.5867 0.1479
3673MeOH H311019 4.958 1.061 2.312 2.7965 0.5723 2.5495
3674MeOH Me111020 0.378 2.508 8.016 0.2638 0.7265 0.4347
3674MeOH O211021 0.245 2.566 8.066 -0.1897 -0.0761 0.1861
3674MeOH H311022 0.250 2.573 8.166 0.1554 1.3199 0.0884
3675MeOH Me111023 1.812 4.075 7.729 0.0820 -0.1559 0.2559
3675MeOH O211024 1.665 4.112 7.711 0.1101 -0.1395 0.0629
3675MeOH H311025 1.634 4.159 7.793 0.1784 0.4238 -0.2330
3676MeOH Me111026 0.739 3.475 8.616 0.1268 -0.1106 0.3483
3676MeOH O211027 0.772 3.377 8.502 -0.2807 0.3694 -0.1908
3676MeOH H311028 0.757 3.284 8.535 -1.5662 0.2692 -0.9956
3677MeOH Me111029 4.816 2.566 5.784 -0.0310 -0.3333 -0.4493
3677MeOH O211030 4.692 2.514 5.857 0.3100 0.1855 0.5185
3677MeOH H311031 4.720 2.444 5.922 0.5648 0.3415 0.5784
3678MeOH Me111032 3.512 2.843 29.739 0.3885 0.0139 -0.2879
3678MeOH O211033 3.424 2.719 29.743 0.1015 0.2248 0.0903
3678MeOH H311034 3.470 2.649 29.797 0.1495 0.1099 -0.0993
3679MeOH Me111035 0.948 1.971 2.405 0.1504 0.1000 0.5137
3679MeOH O211036 1.074 2.057 2.384 -0.0351 0.2477 -0.0183
3679MeOH H311037 1.145 1.999 2.344 0.0610 0.1949 0.2286
3680MeOH Me111038 4.802 4.755 6.183 -0.3282 -0.1930 -0.2524
3680MeOH O211039 4.822 4.875 6.090 -0.3079 0.4365 0.5455
3680MeOH H311040 4.825 4.841 5.996 -0.8203 1.1193 0.2760
3681MeOH Me111041 4.613 1.714 3.629 0.0226 0.2145 -0.4205
3681MeOH O211042 4.506 1.633 3.556 -0.1454 0.0574 -0.0051
3681MeOH H311043 4.465 1.691 3.485 0.6632 -0.5214 -0.9681
3682MeOH Me111044 0.866 0.295 2.256 -0.8552 -0.0752 0.1116
3682MeOH O211045 1.012 0.325 2.292 -0.4961 -0.5912 -0.8841
3682MeOH H311046 1.061 0.239 2.303 -0.3068 -0.7773 -2.8149
3683MeOH Me111047 0.640 0.832 2.976 -0.4853 -0.0256 0.2806
3683MeOH O211048 0.493 0.858 3.008 -0.6331 0.1855 -0.5279
3683MeOH H311049 0.480 0.956 3.022 0.1331 -0.0303 2.5301
3684MeOH Me111050 0.386 1.391 8.151 -0.2542 -0.1528 -0.7939
3684MeOH O211051 0.282 1.504 8.155 -0.3755 -0.2923 0.2021
3684MeOH H311052 0.204 1.474 8.210 -0.4348 -0.9387 -0.2309
3685MeOH Me111053 0.988 -0.063 0.332 -0.2526 -0.0490 0.5040
3685MeOH O211054 0.924 0.068 0.378 -0.2690 0.1532 -0.0864
3685MeOH H311055 0.834 0.076 0.336 -1.7912 -1.7488 2.5178
3686MeOH Me111056 0.007 4.689 1.600 0.4824 -0.0133 -0.0263
3686MeOH O211057 0.047 4.542 1.579 -0.2212 -0.2160 0.0158
3686MeOH H311058 0.135 4.540 1.532 0.3580 -0.6339 1.0704
3687MeOH Me111059 3.950 1.420 4.256 -0.1338 0.1251 0.3124
3687MeOH O211060 3.958 1.573 4.251 0.2191 0.0972 0.0471
3687MeOH H311061 4.017 1.604 4.326 0.7286 0.0601 -0.3286
3688MeOH Me111062 4.387 2.570 3.053 0.2978 -0.0947 -0.5602
3688MeOH O211063 4.512 2.656 3.067 -0.3537 0.7207 0.2473
3688MeOH H311064 4.578 2.607 3.124 0.6365 -0.0490 -1.4849
3689MeOH Me111065 4.754 1.122 6.889 0.3444 0.7305 -0.0955
3689MeOH O211066 4.851 1.148 7.005 0.0915 0.2112 0.2336
3689MeOH H311067 4.860 1.063 7.058 1.4192 -0.5950 -1.2025
3690MeOH Me111068 3.804 5.033 3.054 -0.4288 0.4216 -0.0467
3690MeOH O211069 3.866 5.029 2.914 0.1889 0.0071 0.2369
3690MeOH H311070 3.861 4.935 2.880 -0.5752 0.0950 0.0890
3691MeOH Me111071 2.625 2.503 4.154 -0.3309 0.0879 -0.3127
3691MeOH O211072 2.629 2.575 4.289 -0.1013 0.1193 -0.3341
3691MeOH H311073 2.725 2.585 4.317 -0.1059 -2.8225 1.0897
3692MeOH Me111074 0.166 4.222 4.904 0.3208 0.2280 0.2149
3692MeOH O211075 0.071 4.339 4.879 0.3492 0.2629 0.2688
3692MeOH H311076 -0.019 4.302 4.857 -0.0710 0.2966 1.7920
3693MeOH Me111077 1.834 4.421 6.605 -0.1180 -0.2719 0.5315
3693MeOH O211078 1.929 4.403 6.723 0.3587 0.4611 0.2648
3693MeOH H311079 2.000 4.338 6.697 -1.0323 -1.4703 1.1189
3694MeOH Me111080 2.525 2.874 29.235 0.3508 0.0103 -0.2781
3694MeOH O211081 2.542 3.025 29.228 -1.0723 0.2274 0.5423
3694MeOH H311082 2.455 3.068 29.254 -1.2559 -0.7044 1.5781
3695MeOH Me111083 0.290 4.406 1.180 -0.0774 0.3399 -0.0579
3695MeOH O211084 0.187 4.306 1.232 -0.0496 0.2213 -0.2330
3695MeOH H311085 0.096 4.335 1.202 -0.1462 0.6901 0.4940
3696MeOH Me111086 2.310 1.658 0.423 -0.2407 0.3188 0.0967
3696MeOH O211087 2.459 1.642 0.391 -0.0453 0.7395 0.7622
3696MeOH H311088 2.467 1.602 0.300 0.4882 2.0824 0.1973
3697MeOH Me111089 1.625 2.442 9.758 0.3281 -0.1570 -0.1449
3697MeOH O211090 1.559 2.440 9.620 0.0989 -0.0113 -0.0387
3697MeOH H311091 1.630 2.426 9.551 -0.0222 -0.0056 -0.1661
3698MeOH Me111092 3.621 3.892 8.775 0.1060 -0.3645 -0.6671
3698MeOH O211093 3.577 4.038 8.772 0.2944 -0.2881 0.0548
3698MeOH H311094 3.507 4.049 8.702 -0.1536 0.0202 0.5484
3699MeOH Me111095 2.921 4.050 6.775 -0.1544 -0.5394 0.0436
3699MeOH O211096 3.028 3.966 6.846 0.7296 0.2706 -0.2976
3699MeOH H311097 2.993 3.941 6.936 1.1045 -0.2214 -0.2874
3700MeOH Me111098 0.236 2.454 3.141 -0.1372 -0.0053 0.0722
3700MeOH O211099 0.335 2.356 3.203 -0.0629 0.1160 0.1452
3700MeOH H311100 0.424 2.368 3.160 0.5668 1.8482 1.8008
3701MeOH Me111101 2.035 3.081 3.484 -0.2544 -0.1052 0.3777
3701MeOH O211102 2.094 3.127 3.350 -0.0856 -0.4357 0.3385
3701MeOH H311103 2.049 3.212 3.323 -0.6945 -0.9622 -0.3708
3702MeOH Me111104 1.703 1.400 5.533 -0.1013 -0.2410 -0.0830
3702MeOH O211105 1.727 1.479 5.404 0.0294 -0.1380 0.0040
3702MeOH H311106 1.750 1.574 5.428 -1.5762 0.2594 0.0734
3703MeOH Me111107 4.159 5.032 2.297 -0.5417 -0.5231 -0.5357
3703MeOH O211108 4.305 4.997 2.330 -0.5517 0.1900 0.2781
3703MeOH H311109 4.344 4.947 2.253 0.7807 2.2115 -0.4483
3704MeOH Me111110 4.320 3.034 2.238 0.3504 -0.2899 -0.5550
3704MeOH O211111 4.272 3.068 2.096 0.1187 0.3140 -0.3351
3704MeOH H311112 4.326 3.015 2.031 0.8018 1.4489 -0.7132
3705MeOH Me111113 4.913 2.327 1.581 -0.6124 -0.0667 -0.1933
3705MeOH O211114 4.846 2.190 1.600 -0.5478 0.0419 0.8623
3705MeOH H311115 4.750 2.205 1.623 -0.6380 0.1739 0.4106
3706MeOH Me111116 0.440 3.888 2.316 -0.3881 0.4210 0.4778
3706MeOH O211117 0.298 3.839 2.341 -0.4213 0.3833 0.2221
3706MeOH H311118 0.259 3.808 2.255 -1.0900 2.5528 -0.3098
3707MeOH Me111119 0.758 1.298 5.174 -0.6756 0.4235 0.3869
3707MeOH O211120 0.730 1.367 5.040 0.1223 -0.3209 -0.1756
3707MeOH H311121 0.753 1.464 5.049 -0.9338 -0.0505 -0.2409
3708MeOH Me111122 3.987 3.338 0.172 0.2347 -0.0423 -0.1307
3708MeOH O211123 3.853 3.399 0.129 0.2191 -0.0995 -0.1618
3708MeOH H311124 3.780 3.345 0.170 0.2314 -0.1612 -0.2209
3709MeOH Me111125 3.710 1.741 9.910 -0.1784 0.0778 0.2621
3709MeOH O211126 3.718 1.595 9.865 -0.3865 0.2468 -0.3222
3709MeOH H311127 3.665 1.539 9.928 1.0648 -0.1834 0.5679
3710MeOH Me111128 1.377 2.949 6.252 -0.2191 0.0906 0.1218
3710MeOH O211129 1.338 2.803 6.276 -0.3707 0.1352 0.0528
3710MeOH H311130 1.241 2.800 6.301 -0.4296 0.2008 -0.1563
3711MeOH Me111131 1.233 4.913 6.848 -0.4778 -0.3471 0.1704
3711MeOH O211132 1.339 5.008 6.904 -0.9009 -0.3097 0.9246
3711MeOH H311133 1.421 4.954 6.927 0.0975 0.1026 -1.3939
3712MeOH Me111134 2.794 2.002 8.335 0.1557 0.0888 -0.1735
3712MeOH O211135 2.737 2.143 8.346 0.1103 0.0198 0.5132
3712MeOH H311136 2.807 2.203 8.386 0.5180 0.0971 -0.2927
3713MeOH Me111137 2.534 1.422 8.079 0.4601 -0.0820 0.2938
3713MeOH O211138 2.627 1.540 8.050 0.4644 -0.1432 0.0592
3713MeOH H311139 2.573 1.612 8.007 0.4542 -0.2023 -0.0294
3714MeOH Me111140 3.929 4.854 29.872 -0.0311 -0.6370 -0.1273
3714MeOH O211141 3.847 4.739 29.930 -0.4087 -0.5884 -0.5626
3714MeOH H311142 3.904 4.689 29.995 -0.4347 -1.2447 -1.0269
3715MeOH Me111143 3.754 4.027 10.804 0.4696 -0.0569 0.0225
3715MeOH O211144 3.784 4.176 10.813 0.2723 -0.0200 0.0752
3715MeOH H311145 3.737 4.214 10.893 0.8771 -0.2685 0.5554
3716MeOH Me111146 4.396 1.476 4.581 -0.1098 -0.3632 -0.2529
3716MeOH O211147 4.474 1.381 4.490 0.7493 -0.8484 0.9662
3716MeOH H311148 4.413 1.351 4.416 1.3828 -1.3788 0.6508
3717MeOH Me111149 0.023 0.407 3.857 -0.1781 -0.3927 -0.3879
3717MeOH O211150 0.026 0.360 4.003 -0.0006 -0.0058 -0.2655
3717MeOH H311151 0.101 0.407 4.050 -0.2032 0.4337 -0.3721
3718MeOH Me111152 3.467 3.936 7.192 -0.5943 -0.0091 0.2626
3718MeOH O211153 3.472 4.033 7.310 -0.4658 0.4023 -0.0790
3718MeOH H311154 3.410 4.000 7.381 0.3798 0.0950 0.5280
3719MeOH Me111155 2.876 3.946 10.518 0.0585 0.1105 0.0198
3719MeOH O211156 2.854 4.035 10.641 0.1081 -0.4253 0.4273
3719MeOH H311157 2.756 4.038 10.659 0.1013 -0.3803 0.3834
3720MeOH Me111158 4.559 4.672 29.714 -0.0852 0.2304 0.0484
3720MeOH O211159 4.537 4.784 29.816 -0.4685 -0.0738 0.3004
3720MeOH H311160 4.473 4.752 29.885 -0.1663 -0.5372 0.3667
3721MeOH Me111161 3.599 1.616 0.966 0.0554 -0.4665 -0.1603
3721MeOH O211162 3.536 1.632 1.105 0.0982 0.3147 -0.2287
3721MeOH H311163 3.552 1.726 1.136 0.2830 0.4350 -0.6752
3722MeOH Me111164 1.092 3.036 8.972 0.3135 0.0360 0.2747
3722MeOH O211165 1.234 3.088 8.998 0.2656 0.3336 -0.0448
3722MeOH H311166 1.252 3.083 9.096 1.1204 -1.2446 -0.2436
3723MeOH Me111167 3.148 2.105 5.564 -0.3330 0.5287 0.5099
3723MeOH O211168 3.061 2.227 5.532 -0.4693 0.4157 0.4522
3723MeOH H311169 2.979 2.223 5.589 -1.4517 -0.7211 -0.9600
3724MeOH Me111170 -0.066 1.830 5.581 -0.2074 0.4397 -0.0447
3724MeOH O211171 0.059 1.912 5.611 -0.5372 0.7963 0.3825
3724MeOH H311172 0.114 1.864 5.679 -0.6536 0.9963 0.6217
3725MeOH Me111173 1.288 4.967 8.757 -0.3247 0.4654 0.0369
3725MeOH O211174 1.144 4.927 8.722 -0.2809 -0.1878 0.5857
3725MeOH H311175 1.131 4.831 8.746 0.8379 -0.8106 -1.1174
3726MeOH Me111176 0.908 4.758 11.074 -0.0343 -0.0052 -0.5687
3726MeOH O211177 0.798 4.834 11.000 -0.6516 -0.5065 -0.1716
3726MeOH H311178 0.766 4.776 10.924 -0.1187 -0.3432 -0.5299
3727MeOH Me111179 1.654 1.504 3.084 0.2513 0.5358 0.6471
3727MeOH O211180 1.734 1.376 3.058 -0.4027 0.3162 -0.3651
3727MeOH H311181 1.722 1.315 3.137 0.1533 0.2144 -0.3526
3728MeOH Me111182 0.811 4.423 7.459 -0.6314 0.1108 0.2195
3728MeOH O211183 0.721 4.504 7.552 -0.3004 0.3969 0.2908
3728MeOH H311184 0.766 4.513 7.641 -0.2736 0.1200 0.3036
3729MeOH Me111185 2.482 2.746 29.712 0.2814 0.5363 0.5730
3729MeOH O211186 2.345 2.790 29.762 0.1120 0.0118 0.5671
3729MeOH H311187 2.279 2.782 29.687 -0.3645 -2.5294 1.1737
3730MeOH Me111188 4.523 1.860 6.200 -0.2859 -0.3831 0.0908
3730MeOH O211189 4.582 1.722 6.227 0.4458 -0.1307 -0.1821
3730MeOH H311190 4.526 1.653 6.181 1.6275 -0.2374 -1.5181
3731MeOH Me111191 2.524 4.181 9.098 -0.2002 0.0044 0.3479
3731MeOH O211192 2.665 4.126 9.075 -0.4250 -0.4994 0.1672
3731MeOH H311193 2.658 4.027 9.060 -0.9065 -0.3058 -0.9355
3732MeOH Me111194 1.387 4.802 3.992 -0.4800 -0.5467 -0.1496
3732MeOH O211195 1.305 4.906 3.915 -0.0621 0.0168 0.1638
3732MeOH H311196 1.272 4.864 3.831 2.9843 1.4817 -1.9839
3733MeOH Me111197 0.100 4.244 0.104 0.0537 0.3611 -0.5912
3733MeOH O211198 0.204 4.184 0.010 0.1877 -0.2641 -0.0500
3733MeOH H311199 0.226 4.251 -0.061 0.4140 -0.6653 -0.3669
3734MeOH Me111200 4.642 4.409 7.714 -0.3163 -0.0533 -0.2005
3734MeOH O211201 4.741 4.394 7.599 -0.4112 0.0550 -0.2770
3734MeOH H311202 4.833 4.409 7.634 -0.1138 -2.5250 0.2365
3735MeOH Me111203 0.811 2.041 4.391 0.2500 -0.0289 -0.3291
3735MeOH O211204 0.847 2.166 4.309 -0.3524 0.0408 -0.4920
3735MeOH H311205 0.944 2.162 4.287 -0.6650 -0.3698 -1.9407
3736MeOH Me111206 0.101 5.045 5.141 0.3456 -0.3929 0.2427
3736MeOH O211207 -0.016 4.964 5.086 0.3781 -0.4465 0.2525
3736MeOH H311208 -0.058 5.016 5.011 0.0555 -0.2510 0.5635
3737MeOH Me111209 0.945 3.246 2.606 0.4389 -0.3415 0.3294
3737MeOH O211210 0.878 3.292 2.736 -0.2405 -0.3565 -0.0310
3737MeOH H311211 0.935 3.263 2.813 -0.5448 -0.1833 0.2631
3738MeOH Me111212 1.135 0.635 5.685 0.0100 -0.1081 -0.0639
3738MeOH O211213 1.062 0.635 5.820 -0.2270 -0.6265 -0.1858
3738MeOH H311214 0.975 0.588 5.809 -0.3345 -0.3422 -0.5907
3739MeOH Me111215 4.767 0.942 9.398 -0.2004 0.0438 0.7474
3739MeOH O211216 4.918 0.924 9.413 -0.1056 0.0782 -0.0963
3739MeOH H311217 4.952 0.873 9.334 -0.5759 -0.0745 -0.2097
3740MeOH Me111218 4.668 3.547 7.214 -0.2773 -0.1748 -0.0555
3740MeOH O211219 4.761 3.511 7.330 0.3936 0.2873 -0.4449
3740MeOH H311220 4.788 3.416 7.321 0.3810 0.2639 -0.2509
3741MeOH Me111221 4.284 0.732 9.297 0.2916 -0.0225 0.0769
3741MeOH O211222 4.204 0.634 9.211 -0.2454 -0.0579 0.6043
3741MeOH H311223 4.159 0.686 9.138 0.4370 -0.2554 0.0309
3742MeOH Me111224 2.378 1.428 4.750 0.0308 0.1822 0.1455
3742MeOH O211225 2.299 1.539 4.681 0.0049 -0.1520 -0.3642
3742MeOH H311226 2.363 1.595 4.628 -0.0218 -0.4359 -0.7098
3743MeOH Me111227 2.134 4.168 4.456 0.0896 0.3774 0.4424
3743MeOH O211228 2.277 4.141 4.408 -0.1829 -0.1553 -0.0842
3743MeOH H311229 2.291 4.042 4.404 -1.1133 -0.2457 -1.8005
3744MeOH Me111230 2.610 2.672 1.610 0.0152 -0.1292 -0.2086
3744MeOH O211231 2.464 2.670 1.654 0.1443 0.1756 0.2378
3744MeOH H311232 2.453 2.599 1.724 -0.0960 -0.8530 -0.8175
3745MeOH Me111233 2.260 1.172 6.143 0.5574 0.4746 -1.2785
3745MeOH O211234 2.149 1.072 6.114 0.2655 0.3271 0.2623
3745MeOH H311235 2.083 1.074 6.189 0.3798 1.5259 0.3423
3746MeOH Me111236 0.211 1.851 8.504 -0.4705 -0.2124 -0.6636
3746MeOH O211237 0.271 1.921 8.382 0.3469 0.3447 0.0491
3746MeOH H311238 0.270 1.857 8.305 3.2834 -0.2639 0.3914
3747MeOH Me111239 1.475 2.912 10.209 -0.1437 0.5263 0.2314
3747MeOH O211240 1.482 2.973 10.069 -0.0433 0.0907 0.0426
3747MeOH H311241 1.428 2.916 10.007 -2.5797 1.5095 0.7854
3748MeOH Me111242 4.827 4.712 4.687 -0.2445 -0.1500 -0.7733
3748MeOH O211243 4.725 4.827 4.694 0.3804 0.3682 0.0184
3748MeOH H311244 4.735 4.883 4.612 0.9076 1.0771 0.5599
3749MeOH Me111245 2.777 3.703 2.477 0.1002 0.1275 0.2866
3749MeOH O211246 2.640 3.648 2.515 -0.0386 -0.0701 -0.4900
3749MeOH H311247 2.629 3.558 2.472 0.6823 -0.4693 0.1473
3750MeOH Me111248 4.252 0.234 5.519 0.1707 -0.5200 0.0834
3750MeOH O211249 4.298 0.320 5.637 -0.0100 -0.1709 -0.0994
3750MeOH H311250 4.242 0.403 5.639 -1.0216 -0.8381 0.4466
3751MeOH Me111251 3.369 0.478 2.996 -0.3507 0.2815 -0.4630
3751MeOH O211252 3.220 0.485 3.030 -0.1317 0.6623 0.4441
3751MeOH H311253 3.178 0.397 3.008 -0.1518 0.1178 2.4084
3752MeOH Me111254 1.187 4.957 5.962 0.2388 0.0145 -0.0063
3752MeOH O211255 1.270 4.828 5.961 0.2466 0.0197 -0.1561
3752MeOH H311256 1.352 4.844 5.906 0.7096 0.3837 0.6227
3753MeOH Me111257 0.379 2.568 9.960 -0.1896 -0.6933 0.2995
3753MeOH O211258 0.470 2.622 10.070 -0.0837 -0.4364 0.0865
3753MeOH H311259 0.561 2.637 10.031 -1.1668 3.8062 -1.2807
3754MeOH Me111260 4.820 4.329 6.437 -0.3319 -0.3839 0.3655
3754MeOH O211261 4.968 4.355 6.468 -0.3778 -0.0344 0.2952
3754MeOH H311262 4.983 4.343 6.566 -0.1397 -0.8102 0.1668
3755MeOH Me111263 3.600 3.691 8.331 -0.0731 0.1447 -0.5880
3755MeOH O211264 3.604 3.590 8.216 0.2449 -0.8117 0.2446
3755MeOH H311265 3.514 3.588 8.172 0.0241 -2.0099 0.7202
3756MeOH Me111266 2.945 1.669 8.955 0.2386 0.4091 0.4629
3756MeOH O211267 2.921 1.531 9.017 0.3806 0.2831 0.2368
3756MeOH H311268 2.989 1.516 9.089 1.4756 -0.4586 -0.9023
3757MeOH Me111269 2.657 4.661 5.653 0.0349 0.3815 -0.3800
3757MeOH O211270 2.635 4.570 5.532 -0.5635 -0.2097 0.1653
3757MeOH H311271 2.568 4.614 5.471 -2.0247 -1.2010 1.0007
3758MeOH Me111272 0.229 1.224 8.877 -0.4671 0.0211 -0.7035
3758MeOH O211273 0.359 1.293 8.835 -0.3816 0.2550 -0.0501
3758MeOH H311274 0.338 1.387 8.806 -0.6953 -0.3808 -2.0176
3759MeOH Me111275 4.361 2.433 5.618 -0.1552 -0.1572 -0.7827
3759MeOH O211276 4.329 2.369 5.753 0.3909 0.5034 -0.3462
3759MeOH H311277 4.275 2.287 5.738 0.5064 0.3072 0.2681
3760MeOH Me111278 1.221 4.296 4.213 -0.0784 -0.3395 0.5282
3760MeOH O211279 1.082 4.351 4.245 -0.4947 -0.7595 -0.4826
3760MeOH H311280 1.055 4.316 4.335 -0.5126 0.1314 -0.1336
3761MeOH Me111281 3.080 3.161 9.179 0.5905 0.4916 0.2799
3761MeOH O211282 3.118 3.157 9.031 0.2921 -0.4742 0.2128
3761MeOH H311283 3.055 3.096 8.983 0.6738 -1.4092 0.8771
3762MeOH Me111284 1.365 2.395 1.680 0.5468 0.6554 0.1120
3762MeOH O211285 1.234 2.424 1.606 0.4814 0.6123 0.2118
3762MeOH H311286 1.254 2.427 1.508 0.3358 0.3098 0.1721
3763MeOH Me111287 1.241 0.881 1.927 0.0104 -0.0492 0.6248
3763MeOH O211288 1.325 0.759 1.889 0.2536 0.3305 -0.0780
3763MeOH H311289 1.420 0.776 1.913 0.1911 0.3158 0.1812
3764MeOH Me111290 1.956 4.554 0.470 0.4321 -0.4882 -0.2149
3764MeOH O211291 2.025 4.690 0.460 -0.1602 -0.1543 0.1932
3764MeOH H311292 2.009 4.727 0.369 0.6254 -0.4673 -0.0753
3765MeOH Me111293 4.122 1.833 8.259 0.1891 -0.6972 -0.2132
3765MeOH O211294 4.115 1.818 8.411 -0.4078 0.0607 -0.1595
3765MeOH H311295 4.100 1.909 8.451 0.1921 0.3719 -0.6248
3766MeOH Me111296 3.991 4.171 3.113 0.3867 0.0083 -0.5042
3766MeOH O211297 3.891 4.172 2.998 0.1105 0.7203 -0.2620
3766MeOH H311298 3.799 4.160 3.036 0.3217 -1.0477 -0.2139
3767MeOH Me111299 1.263 4.077 5.113 0.0905 0.3846 0.2354
3767MeOH O211300 1.221 3.963 5.020 -0.2160 1.0242 -0.4275
3767MeOH H311301 1.137 3.922 5.056 0.8578 -0.3698 0.5834
3768MeOH Me111302 0.778 1.418 2.660 -0.1344 -0.0349 -0.0437
3768MeOH O211303 0.835 1.553 2.703 -0.1973 0.0463 -0.2219
3768MeOH H311304 0.832 1.615 2.625 3.0713 -1.1035 -1.4539
3769MeOH Me111305 1.129 3.256 6.504 0.0077 0.0400 0.0892
3769MeOH O211306 1.152 3.258 6.656 0.0480 0.3522 0.0779
3769MeOH H311307 1.063 3.258 6.701 0.0634 -0.5458 0.1164
3770MeOH Me111308 2.973 3.970 8.974 0.3512 -0.1232 -0.1928
3770MeOH O211309 2.892 3.856 9.035 0.2861 -0.0459 -0.1341
3770MeOH H311310 2.904 3.858 9.134 2.1974 -1.4242 -0.2809
3771MeOH Me111311 3.639 0.757 8.896 -0.1661 0.3043 0.2421
3771MeOH O211312 3.781 0.703 8.913 0.0065 0.4800 -0.5980
3771MeOH H311313 3.786 0.613 8.870 -0.1091 0.5323 -0.7207
3772MeOH Me111314 4.610 3.194 3.016 0.3120 0.0640 -0.1690
3772MeOH O211315 4.692 3.066 3.032 0.5646 0.1871 -0.5271
3772MeOH H311316 4.632 2.987 3.015 0.3546 0.0603 0.6584
3773MeOH Me111317 2.010 3.278 8.081 -0.0569 0.9893 -0.7360
3773MeOH O211318 1.952 3.390 8.168 -0.0824 0.2228 0.2589
3773MeOH H311319 1.948 3.358 8.262 -2.3607 -1.5511 -0.3310
3774MeOH Me111320 2.769 1.096 0.505 0.4694 -0.2175 -0.0700
3774MeOH O211321 2.815 0.967 0.436 0.0116 -0.0957 -0.6066
3774MeOH H311322 2.914 0.957 0.450 -0.4287 -1.9593 1.7975
3775MeOH Me111323 1.414 3.764 10.329 -0.2367 0.5591 -0.4045
3775MeOH O211324 1.366 3.624 10.366 0.3487 0.5670 0.4046
3775MeOH H311325 1.401 3.602 10.457 -0.4487 1.6807 1.0111
3776MeOH Me111326 0.803 1.598 8.168 -0.0677 0.3560 -0.4677
3776MeOH O211327 0.875 1.473 8.217 0.0462 0.6361 0.0925
3776MeOH H311328 0.815 1.424 8.280 0.2822 1.0966 0.6817
3777MeOH Me111329 2.548 3.859 5.709 -0.0134 -0.0426 -0.2661
3777MeOH O211330 2.446 3.753 5.667 0.4767 -0.2127 -1.0582
3777MeOH H311331 2.426 3.764 5.570 1.7627 -0.7160 -1.3925
3778MeOH Me111332 2.725 1.377 3.609 0.0471 0.7921 0.0278
3778MeOH O211333 2.644 1.339 3.485 -0.0747 -0.5557 0.5118
3778MeOH H311334 2.575 1.409 3.469 1.2203 0.3769 -1.3515
3779MeOH Me111335 1.917 4.590 8.257 0.7151 -0.3839 -0.1002
3779MeOH O211336 1.836 4.481 8.187 -0.1772 0.2657 -0.0851
3779MeOH H311337 1.759 4.457 8.246 0.1570 0.2514 0.3553
3780MeOH Me111338 5.016 2.600 6.354 -0.5758 -0.3075 0.3688
3780MeOH O211339 4.919 2.615 6.237 -0.6005 -0.0703 0.4184
3780MeOH H311340 4.967 2.657 6.160 -0.3699 -0.7331 0.1900
3781MeOH Me111341 2.892 3.452 1.447 -0.2429 -0.0404 0.0186
3781MeOH O211342 2.768 3.519 1.505 0.0480 0.3437 0.1940
3781MeOH H311343 2.695 3.517 1.437 -0.7078 -1.2427 0.9928
3782MeOH Me111344 3.783 3.406 9.447 -0.5202 -0.6287 0.4919
3782MeOH O211345 3.812 3.433 9.594 0.2949 -0.3506 0.2878
3782MeOH H311346 3.727 3.422 9.646 0.2753 1.0416 0.5972
3783MeOH Me111347 1.102 3.449 1.255 0.1490 0.6120 -0.1160
3783MeOH O211348 0.985 3.540 1.217 -0.2489 0.2505 0.2392
3783MeOH H311349 1.003 3.579 1.127 -0.6759 0.2545 0.1513
3784MeOH Me111350 2.607 4.278 4.480 0.0744 -0.1454 0.1533
3784MeOH O211351 2.490 4.339 4.403 -0.0862 -0.2874 0.2849
3784MeOH H311352 2.421 4.268 4.388 0.0722 -0.4193 0.1861
3785MeOH Me111353 3.572 2.966 5.898 0.0999 0.4651 0.0070
3785MeOH O211354 3.545 3.010 6.042 0.4031 0.6342 0.0111
3785MeOH H311355 3.455 2.976 6.070 -0.9855 3.3036 -0.8418
3786MeOH Me111356 2.618 4.868 0.855 0.2086 -0.7502 0.1727
3786MeOH O211357 2.737 4.884 0.759 -0.0345 -0.3167 -0.0386
3786MeOH H311358 2.715 4.956 0.693 -0.8708 -1.1341 -0.6873
3787MeOH Me111359 4.759 4.423 1.789 -0.6137 -0.1766 -0.3394
3787MeOH O211360 4.887 4.370 1.723 -0.2514 0.1958 0.0565
3787MeOH H311361 4.925 4.443 1.666 0.9741 1.1094 1.9247
3788MeOH Me111362 0.747 4.993 4.538 0.0616 -0.7351 -0.1399
3788MeOH O211363 0.879 4.955 4.605 -0.1611 -0.2204 0.6022
3788MeOH H311364 0.865 4.871 4.658 -0.0935 -0.3711 0.3842
3789MeOH Me111365 0.345 0.412 9.227 -0.6946 0.0274 -0.0840
3789MeOH O211366 0.404 0.398 9.367 -0.3034 -0.1008 -0.2579
3789MeOH H311367 0.449 0.309 9.374 -1.4410 -0.6793 -0.0493
3790MeOH Me111368 3.693 4.724 9.258 -0.3292 -0.6342 -0.3833
3790MeOH O211369 3.609 4.831 9.329 0.4263 0.1127 -0.5953
3790MeOH H311370 3.666 4.912 9.342 1.3586 -0.6196 0.1732
3791MeOH Me111371 4.521 2.558 9.429 0.0636 0.2136 0.0530
3791MeOH O211372 4.539 2.693 9.359 0.2695 0.1318 -0.0589
3791MeOH H311373 4.637 2.712 9.350 0.2947 0.1016 0.1416
3792MeOH Me111374 3.046 3.904 3.001 0.0861 -0.2058 0.2338
3792MeOH O211375 2.955 4.026 2.990 0.5437 0.1173 -0.0238
3792MeOH H311376 3.009 4.104 2.959 1.1947 0.2492 1.3681
3793MeOH Me111377 3.215 2.599 8.644 -0.3583 0.5297 0.1098
3793MeOH O211378 3.133 2.551 8.525 -0.0473 0.3840 -0.0444
3793MeOH H311379 3.193 2.544 8.445 -0.0207 1.2167 -0.1114
3794MeOH Me111380 3.887 4.072 1.020 -0.4058 -0.0838 -0.5924
3794MeOH O211381 4.038 4.054 1.012 -0.3229 0.2878 0.0832
3794MeOH H311382 4.063 3.973 1.066 -0.2277 0.9953 1.1221
3795MeOH Me111383 3.695 3.590 9.172 0.1098 0.4236 0.3339
3795MeOH O211384 3.605 3.672 9.264 0.0264 0.1381 0.5112
3795MeOH H311385 3.548 3.732 9.207 -0.3567 -0.1233 0.6162
3796MeOH Me111386 2.535 3.840 5.324 0.0233 -0.3479 0.3740
3796MeOH O211387 2.429 3.743 5.377 -0.1909 -0.1979 0.2230
3796MeOH H311388 2.348 3.749 5.319 -0.2472 0.2038 0.3372
3797MeOH Me111389 0.435 0.405 4.544 -0.2742 -0.0435 -0.3525
3797MeOH O211390 0.497 0.280 4.483 -0.3059 -0.1777 -0.1104
3797MeOH H311391 0.447 0.200 4.518 -0.3589 -0.0956 0.0037
3798MeOH Me111392 0.268 1.004 8.302 -0.2120 -0.2394 0.5363
3798MeOH O211393 0.171 1.118 8.272 0.1345 0.0427 0.4748
3798MeOH H311394 0.173 1.137 8.174 -1.6632 -1.7390 0.0298
3799MeOH Me111395 1.679 4.942 9.794 0.3246 0.0355 0.8128
3799MeOH O211396 1.819 4.942 9.732 -0.1226 0.4513 -0.2282
3799MeOH H311397 1.843 5.036 9.710 -0.1541 0.6568 0.5645
3800MeOH Me111398 0.419 2.579 5.347 -0.4693 -0.1999 0.9738
3800MeOH O211399 0.551 2.577 5.424 0.0879 0.6463 0.0641
3800MeOH H311400 0.532 2.554 5.519 0.9484 -0.1465 0.0659
3801MeOH Me111401 1.190 2.408 7.127 0.3822 0.0803 0.1582
3801MeOH O211402 1.296 2.310 7.176 0.6736 0.3432 0.0516
3801MeOH H311403 1.351 2.356 7.247 0.7288 0.5271 -0.1085
3802MeOH Me111404 2.364 3.177 3.161 0.1746 -0.5823 -0.1591
3802MeOH O211405 2.494 3.119 3.104 0.9305 0.4350 0.4937
3802MeOH H311406 2.505 3.026 3.138 0.5268 -0.1589 -0.9253
3803MeOH Me111407 4.626 1.293 2.707 -0.2474 -0.1838 -0.3113
3803MeOH O211408 4.581 1.284 2.561 -0.6834 0.1105 -0.1973
3803MeOH H311409 4.583 1.188 2.533 -1.5571 0.0698 -0.1532
3804MeOH Me111410 0.922 4.283 3.912 0.6329 0.0869 -0.6068
3804MeOH O211411 0.851 4.417 3.930 0.3061 -0.2210 0.5442
3804MeOH H311412 0.915 4.483 3.969 -0.1148 -0.6121 1.9300
3805MeOH Me111413 1.255 4.340 1.603 -0.1553 -0.2363 -0.0757
3805MeOH O211414 1.264 4.493 1.596 -0.2718 -0.2553 -0.6696
3805MeOH H311415 1.359 4.517 1.576 -0.0107 -0.2293 0.5002
3806MeOH Me111416 4.143 2.011 3.595 0.1438 -0.5721 0.1797
3806MeOH O211417 4.227 1.988 3.469 -0.0318 0.0955 -0.0670
3806MeOH H311418 4.181 2.030 3.392 -0.7867 -0.5888 0.0014
3807MeOH Me111419 2.531 3.779 9.083 0.6707 -0.5454 -0.3729
3807MeOH O211420 2.564 3.752 9.230 0.0430 0.4038 -0.0396
3807MeOH H311421 2.606 3.662 9.237 1.5692 1.1246 0.4963
3808MeOH Me111422 3.571 4.491 6.352 0.2668 0.5188 0.1682
3808MeOH O211423 3.441 4.487 6.433 0.0927 0.7439 -0.1008
3808MeOH H311424 3.417 4.581 6.459 0.6794 0.6901 0.6419
3809MeOH Me111425 2.996 3.695 29.678 -0.3851 0.2893 -0.1020
3809MeOH O211426 2.894 3.584 29.701 0.3732 -0.3270 0.3296
3809MeOH H311427 2.942 3.496 29.702 1.1494 0.0856 1.8786
3810MeOH Me111428 3.863 0.360 3.067 -0.1067 -0.1169 0.2055
3810MeOH O211429 3.862 0.415 2.924 -0.4825 0.3726 0.3956
3810MeOH H311430 3.930 0.365 2.870 2.2029 3.0968 0.9977
3811MeOH Me111431 1.844 0.610 4.018 -0.9408 -0.5864 -0.6444
3811MeOH O211432 1.748 0.723 4.056 0.2088 0.0046 0.5696
3811MeOH H311433 1.791 0.810 4.032 -0.4885 -0.3424 -2.2380
3812MeOH Me111434 0.243 5.057 9.322 -0.5530 -0.0915 0.2117
3812MeOH O211435 0.116 4.975 9.347 -0.4832 -0.2346 0.1003
3812MeOH H311436 0.064 4.970 9.262 1.1743 -3.0342 -0.8985
3813MeOH Me111437 0.970 2.052 3.971 -0.3989 -0.1383 -0.3933
3813MeOH O211438 1.114 2.028 4.018 -0.6321 -0.1914 0.3300
3813MeOH H311439 1.127 2.076 4.104 -0.9335 0.1383 0.1961
3814MeOH Me111440 3.076 0.407 2.131 0.2218 0.4216 0.3122
3814MeOH O211441 2.942 0.479 2.112 0.0310 -0.0007 0.0689
3814MeOH H311442 2.938 0.557 2.174 -0.9820 -0.9176 1.2019
3815MeOH Me111443 2.961 0.621 10.562 -0.3873 -0.2157 -0.2373
3815MeOH O211444 2.908 0.668 10.426 -0.2703 -0.0361 -0.2203
3815MeOH H311445 2.831 0.730 10.441 -1.5455 -1.5629 -0.2313
3816MeOH Me111446 4.320 3.647 11.345 -0.8602 0.2811 0.1956
3816MeOH O211447 4.222 3.684 11.234 -0.3272 0.1397 -0.3246
3816MeOH H311448 4.260 3.761 11.182 0.0528 -0.1120 -0.4211
3817MeOH Me111449 0.775 0.401 9.838 0.0712 -0.0710 0.2393
3817MeOH O211450 0.798 0.276 9.923 0.7733 0.0092 0.1686
3817MeOH H311451 0.768 0.295 10.016 0.5439 -0.2586 0.1476
3818MeOH Me111452 2.557 0.143 1.445 -0.2845 0.4385 0.0999
3818MeOH O211453 2.569 0.224 1.574 0.7944 0.5083 -0.0420
3818MeOH H311454 2.597 0.162 1.648 0.3185 0.3310 -0.0079
3819MeOH Me111455 1.218 1.590 9.585 -0.0966 -0.0240 -0.1947
3819MeOH O211456 1.351 1.596 9.659 -0.1694 -0.2445 -0.0317
3819MeOH H311457 1.425 1.603 9.592 -0.0041 -1.4087 0.0029
3820MeOH Me111458 4.529 0.281 25.339 -0.5204 -0.1027 -0.0279
3820MeOH O211459 4.606 0.156 25.294 -0.3108 -0.0060 0.1009
3820MeOH H311460 4.550 0.106 25.229 0.0510 0.1831 -0.3763
3821MeOH Me111461 2.918 4.554 1.580 -0.2757 0.6510 0.1026
3821MeOH O211462 2.840 4.462 1.675 0.4235 -0.1883 -0.1226
3821MeOH H311463 2.812 4.381 1.624 1.6298 -0.6055 -0.1476
3822MeOH Me111464 4.692 4.426 6.874 0.3590 -0.0386 0.0658
3822MeOH O211465 4.768 4.299 6.836 -0.3658 -0.5189 0.1834
3822MeOH H311466 4.714 4.249 6.769 0.5303 1.1046 -1.8743
3823MeOH Me111467 2.074 3.822 7.515 -0.1008 -0.3510 -0.2485
3823MeOH O211468 2.138 3.714 7.603 -0.2238 0.1208 0.4289
3823MeOH H311469 2.222 3.683 7.559 -0.6681 -0.8120 0.2173
3824MeOH Me111470 3.224 0.012 26.147 0.1983 0.4988 -0.0239
3824MeOH O211471 3.207 0.048 26.295 -0.2073 0.0606 0.0418
3824MeOH H311472 3.111 0.068 26.313 -0.0460 1.4178 -0.4922
3825MeOH Me111473 1.672 4.676 9.497 -0.1261 0.6904 -0.0832
3825MeOH O211474 1.807 4.738 9.535 0.1629 -0.0051 0.0323
3825MeOH H311475 1.793 4.798 9.614 0.4653 -0.1931 0.2280
3826MeOH Me111476 4.887 2.218 2.599 -0.4349 -0.6058 0.5151
3826MeOH O211477 4.941 2.138 2.719 -0.1450 -0.2546 0.6196
3826MeOH H311478 4.930 2.194 2.801 -2.3959 -1.0173 0.9056
3827MeOH Me111479 0.281 2.641 9.262 0.2701 0.1200 -0.4310
3827MeOH O211480 0.387 2.619 9.370 -0.1919 0.2898 0.0601
3827MeOH H311481 0.455 2.555 9.336 0.7768 1.3778 -0.1228
3828MeOH Me111482 3.267 2.721 7.731 -0.4010 0.2351 -0.2026
3828MeOH O211483 3.186 2.637 7.830 0.8684 0.5644 1.1498
3828MeOH H311484 3.131 2.700 7.886 0.4624 0.6860 0.6330
3829MeOH Me111485 4.062 3.248 5.249 -0.1709 0.3866 0.1734
3829MeOH O211486 4.072 3.318 5.113 -0.4145 0.3217 0.1299
3829MeOH H311487 3.985 3.308 5.066 -1.2741 2.1900 1.2001
3830MeOH Me111488 3.770 1.372 6.974 -0.4175 0.0953 -0.1141
3830MeOH O211489 3.729 1.484 7.069 0.0467 0.0577 0.1337
3830MeOH H311490 3.641 1.461 7.109 0.7324 -0.4802 1.3915
3831MeOH Me111491 3.308 0.905 4.016 0.2013 -0.4562 -0.4774
3831MeOH O211492 3.309 1.050 3.967 0.3286 -0.2920 0.0050
3831MeOH H311493 3.223 1.068 3.920 0.5143 -0.1834 -0.2927
3832MeOH Me111494 3.883 2.146 8.113 0.3572 0.2686 -0.0403
3832MeOH O211495 3.864 2.282 8.046 -0.3621 -0.0442 -0.4753
3832MeOH H311496 3.918 2.350 8.095 -0.9664 0.4639 -0.4980
3833MeOH Me111497 1.614 2.512 0.691 -0.5891 0.3271 -0.0943
3833MeOH O211498 1.495 2.558 0.776 -0.4930 0.2170 0.1004
3833MeOH H311499 1.516 2.649 0.813 -0.2527 -0.0301 0.5829
3834MeOH Me111500 0.484 1.119 2.106 -0.4264 -0.1722 -0.3036
3834MeOH O211501 0.420 1.045 2.224 -0.1503 -0.3007 -0.2336
3834MeOH H311502 0.351 1.104 2.265 -0.1150 -0.3788 -0.0607
3835MeOH Me111503 1.853 4.145 2.455 0.2206 0.0242 0.0948
3835MeOH O211504 1.718 4.193 2.401 -0.0870 -0.4686 0.4305
3835MeOH H311505 1.649 4.179 2.473 0.4047 0.6207 1.1302
3836MeOH Me111506 0.108 1.352 5.690 0.2558 -0.4266 0.3545
3836MeOH O211507 0.128 1.483 5.767 -0.0431 -0.4357 0.4486
3836MeOH H311508 0.052 1.493 5.832 -0.6718 -0.1079 -0.3144
3837MeOH Me111509 4.064 4.441 11.284 -0.0086 -0.0028 -0.0507
3837MeOH O211510 3.939 4.514 11.334 -0.2119 -0.2560 -0.1886
3837MeOH H311511 3.878 4.447 11.376 1.0421 -0.0653 2.1677
3838MeOH Me111512 2.490 1.443 9.971 0.1103 0.1953 0.1932
3838MeOH O211513 2.341 1.458 10.002 0.0536 -0.4647 0.2403
3838MeOH H311514 2.298 1.367 9.994 0.2284 -0.4695 -0.9213
3839MeOH Me111515 3.813 2.229 10.271 -0.0612 0.4129 0.9003
3839MeOH O211516 3.771 2.105 10.351 -0.0905 0.0339 0.3043
3839MeOH H311517 3.787 2.123 10.448 2.4617 -1.4041 0.2352
3840MeOH Me111518 1.748 2.309 3.194 0.2287 0.2363 0.3846
3840MeOH O211519 1.767 2.459 3.167 -0.0469 0.2123 0.0590
3840MeOH H311520 1.862 2.483 3.185 -0.1040 0.4392 0.0606
3841MeOH Me111521 2.051 2.656 8.035 -0.3192 -0.3410 -0.0340
3841MeOH O211522 1.906 2.665 7.988 -0.2319 -0.2185 -0.2632
3841MeOH H311523 1.904 2.647 7.890 -0.3015 -2.0280 0.0362
3842MeOH Me111524 2.888 0.907 8.770 0.3117 0.1965 0.5241
3842MeOH O211525 2.880 1.012 8.659 -0.3098 -0.1804 0.2090
3842MeOH H311526 2.784 1.024 8.633 -0.3836 -0.8318 0.1670
3843MeOH Me111527 0.239 2.811 2.857 -0.2733 -0.0720 -0.0834
3843MeOH O211528 0.237 2.668 2.913 0.2488 0.1166 0.4279
3843MeOH H311529 0.331 2.637 2.924 0.3907 0.8416 1.4314
3844MeOH Me111530 1.997 0.291 7.624 0.5341 -0.1894 -0.0889
3844MeOH O211531 1.910 0.267 7.748 0.1915 -0.3556 -0.3588
3844MeOH H311532 1.888 0.170 7.752 0.9398 -0.5241 -0.0588
3845MeOH Me111533 3.340 0.510 4.747 0.0708 0.6120 -0.3303
3845MeOH O211534 3.347 0.400 4.640 -0.3069 0.6414 -0.3856
3845MeOH H311535 3.297 0.432 4.559 0.9656 1.4372 -0.8861
3846MeOH Me111536 1.885 1.272 10.414 0.0636 0.1380 -0.1503
3846MeOH O211537 1.984 1.278 10.530 -0.4603 -0.2582 0.3210
3846MeOH H311538 1.982 1.370 10.568 0.1584 -0.0774 -0.0731
3847MeOH Me111539 4.424 1.747 5.075 -0.1731 -0.1632 0.2427
3847MeOH O211540 4.384 1.603 5.044 0.0513 -0.1961 0.1003
3847MeOH H311541 4.464 1.545 5.055 -0.0914 -0.2273 1.0363
3848MeOH Me111542 3.302 3.031 7.959 0.0831 0.1127 -0.2293
3848MeOH O211543 3.432 3.020 8.039 0.2720 -0.1342 -0.5684
3848MeOH H311544 3.509 3.029 7.976 0.1240 -0.0027 -0.7314
3849MeOH Me111545 0.659 0.817 5.741 -0.9357 0.0357 -1.1002
3849MeOH O211546 0.569 0.853 5.859 -0.0231 0.2853 -0.4693
3849MeOH H311547 0.474 0.848 5.829 -0.2900 -0.3722 0.4304
3850MeOH Me111548 1.211 3.606 9.470 0.1896 0.4228 -0.3444
3850MeOH O211549 1.262 3.741 9.523 0.1291 0.2157 0.2511
3850MeOH H311550 1.340 3.769 9.467 0.3163 0.3470 0.5763
3851MeOH Me111551 4.927 4.495 1.277 -0.0748 -0.1196 -0.0459
3851MeOH O211552 4.947 4.428 1.141 0.2169 0.2771 -0.2007
3851MeOH H311553 4.895 4.479 1.073 1.2967 1.1794 -0.3824
3852MeOH Me111554 0.236 4.122 8.315 -0.5079 -0.1409 0.2241
3852MeOH O211555 0.321 4.030 8.403 -0.2928 -0.0146 0.1632
3852MeOH H311556 0.334 3.943 8.355 2.2184 0.9775 -1.1556
3853MeOH Me111557 3.166 0.217 6.219 -0.0012 0.3018 -0.3797
3853MeOH O211558 3.184 0.212 6.067 -0.1842 -0.2536 -0.4019
3853MeOH H311559 3.143 0.127 6.033 0.6140 -0.8319 0.0732
3854MeOH Me111560 0.389 2.910 1.418 -0.4107 -0.2560 -0.1699
3854MeOH O211561 0.308 3.026 1.357 0.4588 0.0082 -0.8392
3854MeOH H311562 0.294 3.006 1.260 -0.8839 -1.1648 -0.4425
3855MeOH Me111563 3.968 3.025 7.782 -0.5016 0.8081 -0.4647
3855MeOH O211564 3.831 2.963 7.810 0.0226 -0.2903 -0.2685
3855MeOH H311565 3.834 2.867 7.783 0.5758 -0.1275 -0.8142
3856MeOH Me111566 4.282 1.412 1.717 0.0170 -0.0561 0.1822
3856MeOH O211567 4.359 1.493 1.612 -0.1144 -0.7144 -0.4253
3856MeOH H311568 4.427 1.549 1.658 0.1874 -0.6880 -0.8955
3857MeOH Me111569 3.270 1.686 7.192 0.2141 -0.0957 0.4139
3857MeOH O211570 3.118 1.689 7.211 0.1464 0.3978 -0.1885
3857MeOH H311571 3.077 1.623 7.149 0.2114 0.2028 -0.0228
3858MeOH Me111572 0.688 1.187 0.748 -0.5575 0.2414 -0.1437
3858MeOH O211573 0.737 1.325 0.791 0.0876 -0.0366 0.0259
3858MeOH H311574 0.805 1.357 0.725 -1.3133 0.6370 -1.1458
3859MeOH Me111575 3.819 4.663 8.465 -0.0191 -0.5078 -0.4351
3859MeOH O211576 3.950 4.684 8.541 -0.1003 -0.1947 -0.3806
3859MeOH H311577 3.993 4.768 8.508 -0.0935 -0.3005 -0.6363
3860MeOH Me111578 4.680 2.965 9.563 0.1668 -0.3874 -0.0586
3860MeOH O211579 4.570 3.006 9.464 0.1516 0.2323 0.2118
3860MeOH H311580 4.481 2.991 9.507 0.0826 -2.1291 -0.6134
3861MeOH Me111581 1.684 4.502 2.572 0.3446 0.0287 0.3357
3861MeOH O211582 1.672 4.566 2.433 -0.2884 -0.1291 0.3169
3861MeOH H311583 1.613 4.507 2.376 -0.9776 0.0777 0.8049
3862MeOH Me111584 2.263 1.267 6.946 0.0762 -0.1975 -0.3642
3862MeOH O211585 2.412 1.234 6.961 0.0246 -0.3180 -0.1041
3862MeOH H311586 2.425 1.180 7.044 -0.3255 -1.3586 -0.7102
3863MeOH Me111587 0.123 4.881 10.022 -0.0672 -0.7140 0.4733
3863MeOH O211588 0.261 4.829 10.061 0.3099 0.2032 0.3995
3863MeOH H311589 0.267 4.732 10.037 0.8141 0.1473 0.7186
3864MeOH Me111590 1.519 3.575 3.645 0.1538 0.0206 -0.2831
3864MeOH O211591 1.623 3.600 3.755 -0.1565 0.1519 -0.0171
3864MeOH H311592 1.604 3.538 3.831 0.0565 -0.2529 -0.2918
3865MeOH Me111593 2.685 4.934 4.662 0.3384 0.1438 0.3972
3865MeOH O211594 2.814 4.887 4.729 0.2892 -0.3164 0.1729
3865MeOH H311595 2.854 4.964 4.780 1.2590 -0.1254 -0.8319
3866MeOH Me111596 4.222 1.188 2.026 -0.3217 0.0164 -0.3934
3866MeOH O211597 4.312 1.251 2.132 -0.2651 -0.0266 -0.4164
3866MeOH H311598 4.256 1.275 2.212 -0.4041 0.8555 -0.7639
3867MeOH Me111599 4.923 2.272 7.778 0.2545 0.0273 0.4102
3867MeOH O211600 4.773 2.248 7.760 0.2258 -0.1256 0.8593
3867MeOH H311601 4.760 2.165 7.706 0.1308 -0.8231 1.9145
3868MeOH Me111602 2.782 4.046 2.676 -0.2189 0.4065 0.7757
3868MeOH O211603 2.658 4.127 2.637 -0.3557 0.0830 0.5252
3868MeOH H311604 2.625 4.175 2.719 -0.0381 0.8029 0.2390
3869MeOH Me111605 4.493 0.220 8.432 0.1423 -0.3709 -0.3939
3869MeOH O211606 4.600 0.328 8.429 0.2023 -0.4367 -0.7163
3869MeOH H311607 4.557 0.416 8.449 0.4561 -0.5319 0.2972
3870MeOH Me111608 3.032 3.591 9.153 0.1048 -0.0882 0.1743
3870MeOH O211609 3.184 3.605 9.150 0.0922 0.0367 0.1255
3870MeOH H311610 3.212 3.663 9.226 -0.0599 1.2741 -0.7236
3871MeOH Me111611 3.108 4.651 1.052 0.3127 -0.1473 0.1769
3871MeOH O211612 3.039 4.715 1.172 0.0337 0.0911 -0.0889
3871MeOH H311613 3.086 4.801 1.193 -0.3659 0.4141 -0.5028
3872MeOH Me111614 4.326 0.219 3.909 -0.5445 -0.0395 0.0062
3872MeOH O211615 4.263 0.358 3.915 -0.7715 -0.1420 0.0223
3872MeOH H311616 4.170 0.353 3.879 -0.8982 -0.3666 0.3785
3873MeOH Me111617 3.979 3.660 7.148 0.2749 -0.0134 0.0943
3873MeOH O211618 4.087 3.766 7.169 -0.0943 0.5207 -0.6257
3873MeOH H311619 4.043 3.853 7.190 -0.3990 0.4803 -1.0862
3874MeOH Me111620 0.081 4.730 5.420 0.0052 0.1981 -0.1546
3874MeOH O211621 -0.045 4.806 5.376 -0.2977 -0.4011 -0.3331
3874MeOH H311622 -0.028 4.844 5.284 -0.5132 -0.6987 -0.4951
3875MeOH Me111623 2.987 0.184 2.447 -0.1081 -0.5818 -0.3488
3875MeOH O211624 3.041 0.061 2.374 0.3887 -0.8232 0.4103
3875MeOH H311625 3.128 0.084 2.331 -1.1011 0.2272 -2.2993
3876MeOH Me111626 4.254 2.891 8.674 0.3115 -0.2855 -0.1322
3876MeOH O211627 4.335 2.906 8.803 0.1286 -0.0351 -0.0456
3876MeOH H311628 4.271 2.920 8.879 -0.0392 -0.9469 -0.0070
3877MeOH Me111629 0.848 2.131 1.914 0.0510 0.4157 0.4558
3877MeOH O211630 0.771 2.083 2.037 -0.1709 0.2857 0.2672
3877MeOH H311631 0.758 1.984 2.030 -1.4942 0.4927 -0.6143
3878MeOH Me111632 3.920 1.933 4.210 0.0427 -0.1073 0.5797
3878MeOH O211633 3.783 1.874 4.174 0.3091 0.0095 -0.6895
3878MeOH H311634 3.791 1.775 4.169 0.1545 -0.0496 0.0516
3879MeOH Me111635 2.989 4.563 29.807 -0.3373 -0.7024 0.6725
3879MeOH O211636 3.110 4.497 29.876 0.4678 0.1135 0.0586
3879MeOH H311637 3.193 4.535 29.836 0.0680 -1.4385 -2.5212
3880MeOH Me111638 1.944 2.998 5.297 -0.4188 0.1266 0.5132
3880MeOH O211639 2.047 3.111 5.296 0.0006 -0.2579 -0.1490
3880MeOH H311640 2.052 3.151 5.387 0.5978 -0.1462 -0.2231
3881MeOH Me111641 0.804 1.566 5.878 0.4337 -0.2041 -0.0034
3881MeOH O211642 0.732 1.693 5.834 0.5426 -0.0617 0.2252
3881MeOH H311643 0.768 1.770 5.885 -0.0298 -0.3153 1.0291
3882MeOH Me111644 4.597 4.382 10.379 -0.4667 0.0126 0.1188
3882MeOH O211645 4.617 4.433 10.236 0.0055 -0.4697 0.0092
3882MeOH H311646 4.709 4.472 10.229 0.1097 -0.6959 0.1218
3883MeOH Me111647 2.838 0.606 3.623 -0.6513 -0.1816 -0.7082
3883MeOH O211648 2.775 0.595 3.762 -0.0672 0.3352 -0.3967
3883MeOH H311649 2.727 0.507 3.768 -2.5395 1.5847 -0.9109
3884MeOH Me111650 2.937 0.629 0.572 -0.0018 0.1573 0.0823
3884MeOH O211651 2.836 0.516 0.593 -0.0732 0.1975 -0.0478
3884MeOH H311652 2.744 0.554 0.582 -0.1154 0.6270 1.5673
3885MeOH Me111653 1.914 4.219 1.657 0.0493 0.4446 -0.6297
3885MeOH O211654 1.869 4.296 1.533 -0.4392 -0.0181 -0.7462
3885MeOH H311655 1.928 4.270 1.456 -0.4471 0.0220 -0.7657
3886MeOH Me111656 2.980 2.868 2.300 -0.5929 0.4258 0.1826
3886MeOH O211657 2.875 2.977 2.324 -0.5543 0.4924 0.0482
3886MeOH H311658 2.789 2.949 2.280 -0.3025 0.9033 -0.7281
3887MeOH Me111659 2.933 0.262 4.050 0.1632 -0.0513 0.1168
3887MeOH O211660 2.913 0.274 4.201 -0.4611 -0.5441 0.0766
3887MeOH H311661 2.939 0.187 4.243 2.0583 0.1843 0.1624
3888MeOH Me111662 1.015 4.876 0.927 0.4444 0.0276 -0.4297
3888MeOH O211663 0.994 4.915 0.780 -0.5202 0.0689 -0.2879
3888MeOH H311664 1.039 5.003 0.764 0.1541 -0.3626 -0.7787
3889MeOH Me111665 3.648 4.204 11.562 0.1269 0.6255 -0.0554
3889MeOH O211666 3.753 4.243 11.457 0.1179 0.2310 -0.2134
3889MeOH H311667 3.787 4.160 11.413 -1.3342 0.1686 -1.3067
3890MeOH Me111668 1.141 2.954 7.764 -0.2199 -0.3698 -0.3718
3890MeOH O211669 1.179 3.073 7.853 0.2983 -0.6241 -0.2436
3890MeOH H311670 1.273 3.099 7.832 -0.3292 0.4790 -1.9213
3891MeOH Me111671 0.350 4.478 7.110 0.0128 -0.4352 -0.4364
3891MeOH O211672 0.235 4.569 7.068 0.0121 0.0988 0.6686
3891MeOH H311673 0.149 4.530 7.103 0.0153 -0.3172 0.2197
3892MeOH Me111674 2.428 2.987 9.022 -0.4095 0.1420 -0.0432
3892MeOH O211675 2.460 2.840 8.995 -0.2788 0.3256 -0.9346
3892MeOH H311676 2.554 2.822 9.025 -0.3481 0.1721 -0.8052
3893MeOH Me111677 0.642 4.879 1.092 -0.5218 0.6313 0.6620
3893MeOH O211678 0.730 4.857 1.215 -0.0878 -0.4014 0.1759
3893MeOH H311679 0.792 4.781 1.196 0.3398 0.2111 -0.9488
3894MeOH Me111680 3.880 1.066 9.013 0.1410 -0.0227 0.9569
3894MeOH O211681 3.838 1.210 8.983 -0.0297 -0.2640 0.0423
3894MeOH H311682 3.884 1.271 9.048 1.1716 0.3827 -1.3630
3895MeOH Me111683 4.614 1.672 9.592 0.2698 0.4108 0.2968
3895MeOH O211684 4.650 1.795 9.509 0.0312 -0.0525 -0.5083
3895MeOH H311685 4.566 1.830 9.467 0.1018 -1.0263 -1.5051
3896MeOH Me111686 0.098 1.283 6.795 0.1312 0.0874 0.0013
3896MeOH O211687 0.065 1.292 6.944 0.1951 0.6002 -0.0140
3896MeOH H311688 -0.019 1.240 6.961 0.7339 -0.1805 0.3593
3897MeOH Me111689 0.968 0.636 10.103 0.2318 0.1635 -0.0022
3897MeOH O211690 1.014 0.777 10.139 0.0165 0.2948 -0.2353
3897MeOH H311691 1.109 0.788 10.112 -0.2194 0.6486 -0.9448
3898MeOH Me111692 2.456 3.219 9.873 0.1357 -0.3718 0.1071
3898MeOH O211693 2.421 3.278 10.010 0.5342 0.1878 -0.0257
3898MeOH H311694 2.341 3.338 9.999 2.0847 2.2923 -0.5181
3899MeOH Me111695 4.322 0.102 9.045 -0.2364 0.2550 -0.2213
3899MeOH O211696 4.455 0.034 9.076 -0.4491 0.1150 0.4061
3899MeOH H311697 4.453 -0.059 9.040 -0.2468 0.2346 0.0863
3900MeOH Me111698 3.028 5.020 0.856 -0.2164 0.1048 0.3843
3900MeOH O211699 3.008 4.881 0.793 0.1883 0.1756 0.0901
3900MeOH H311700 2.910 4.870 0.773 0.5341 0.9819 -2.3844
3901MeOH Me111701 3.893 2.365 7.223 -0.1013 0.0572 0.3923
3901MeOH O211702 3.943 2.510 7.223 -0.5325 0.2067 -0.2568
3901MeOH H311703 3.865 2.570 7.243 -0.9020 0.1432 -1.3886
3902MeOH Me111704 3.637 3.013 4.058 0.2646 -0.2104 -0.3992
3902MeOH O211705 3.676 3.033 4.205 0.2061 0.0644 -0.4227
3902MeOH H311706 3.715 2.948 4.240 -0.5125 -0.1170 -0.0279
3903MeOH Me111707 1.171 3.512 6.920 0.5050 -0.1230 -0.7085
3903MeOH O211708 1.025 3.551 6.898 0.3023 0.0076 0.7998
3903MeOH H311709 1.015 3.649 6.915 0.4958 -0.0376 1.1894
3904MeOH Me111710 3.939 1.623 3.008 0.1402 0.3016 0.4889
3904MeOH O211711 3.892 1.749 2.936 0.5849 0.1041 -0.1533
3904MeOH H311712 3.890 1.825 3.001 -0.6734 0.0871 -0.1453
3905MeOH Me111713 2.714 2.018 9.390 0.0994 0.2952 0.0203
3905MeOH O211714 2.609 2.015 9.279 0.4135 -0.2062 -0.2651
3905MeOH H311715 2.547 1.938 9.296 0.8321 -0.6021 -0.5255
3906MeOH Me111716 4.715 3.185 3.791 -0.6144 -0.4251 -0.2747
3906MeOH O211717 4.852 3.183 3.724 -0.2884 0.2929 0.3718
3906MeOH H311718 4.914 3.128 3.780 0.2962 2.1909 1.7180
3907MeOH Me111719 2.276 1.003 2.646 0.2844 0.3658 -0.8836
3907MeOH O211720 2.342 0.900 2.555 -0.0610 -0.5737 -0.0916
3907MeOH H311721 2.274 0.830 2.532 -0.9956 0.6869 -1.3690
3908MeOH Me111722 3.130 2.539 29.913 -0.2910 0.1211 -0.2933
3908MeOH O211723 3.031 2.448 29.987 0.2092 -0.1947 -0.0231
3908MeOH H311724 2.989 2.387 29.921 2.0229 -2.0450 0.4249
3909MeOH Me111725 1.377 4.703 3.581 0.1700 0.3927 -0.1457
3909MeOH O211726 1.334 4.757 3.444 0.1699 -0.2073 -0.3866
3909MeOH H311727 1.334 4.681 3.379 -0.6833 -0.6803 0.1397
3910MeOH Me111728 2.261 3.714 10.280 0.4487 0.1642 -0.0282
3910MeOH O211729 2.296 3.684 10.135 0.4738 0.2169 -0.0331
3910MeOH H311730 2.306 3.770 10.086 -0.8599 0.2288 -0.3256
3911MeOH Me111731 3.747 2.662 4.045 -0.3964 0.1827 0.5627
3911MeOH O211732 3.768 2.589 4.178 -0.7327 -0.0804 0.4748
3911MeOH H311733 3.802 2.655 4.245 1.0598 -0.5932 0.1496
3912MeOH Me111734 3.877 1.060 4.099 0.4268 -0.1695 -0.1828
3912MeOH O211735 3.823 1.157 3.993 0.2445 0.0036 0.0651
3912MeOH H311736 3.728 1.178 4.015 0.4548 0.4215 0.5860
3913MeOH Me111737 1.776 4.108 9.282 0.0023 0.0034 0.2920
3913MeOH O211738 1.736 4.212 9.387 0.2868 0.0555 0.3485
3913MeOH H311739 1.795 4.201 9.466 -0.9703 -1.4325 1.1388
3914MeOH Me111740 0.932 3.067 6.205 -0.0424 -0.4031 -0.2876
3914MeOH O211741 0.802 2.995 6.242 -0.0085 -0.3765 -0.0929
3914MeOH H311742 0.776 2.936 6.165 0.3440 -1.0533 0.2936
3915MeOH Me111743 1.953 4.468 4.292 0.2845 0.3396 -0.3418
3915MeOH O211744 1.877 4.494 4.422 0.2494 -0.2233 -0.2486
3915MeOH H311745 1.925 4.564 4.474 -0.9650 1.2247 -0.9839
3916MeOH Me111746 5.048 1.628 1.760 -0.1713 0.4938 0.1044
3916MeOH O211747 4.946 1.684 1.662 -0.0515 0.1380 -0.2314
3916MeOH H311748 4.933 1.782 1.682 -0.6832 0.0260 -0.0520
3917MeOH Me111749 2.596 2.059 3.725 -0.0169 -0.1352 -0.5850
3917MeOH O211750 2.559 1.914 3.758 0.0344 0.0025 0.1011
3917MeOH H311751 2.479 1.889 3.703 -0.1597 -0.1808 0.4631
3918MeOH Me111752 3.593 3.977 0.100 -0.1100 -0.2834 0.0503
3918MeOH O211753 3.616 3.836 0.045 -0.1804 -0.3668 0.2318
3918MeOH H311754 3.664 3.782 0.114 1.4618 0.2481 -0.3913
3919MeOH Me111755 0.811 4.534 0.841 0.5070 -0.0039 0.2843
3919MeOH O211756 0.738 4.533 0.975 -0.0838 -0.6423 -0.0476
3919MeOH H311757 0.639 4.534 0.957 -0.0094 0.3622 -0.4753
3920MeOH Me111758 2.625 3.426 1.188 -0.5384 0.1139 0.0796
3920MeOH O211759 2.579 3.511 1.307 0.2524 0.0768 0.4210
3920MeOH H311760 2.491 3.553 1.284 0.4253 0.6385 0.7568
3921MeOH Me111761 1.871 2.275 7.232 -0.0622 -0.2292 0.2028
3921MeOH O211762 1.957 2.195 7.331 0.1601 0.4335 0.5530
3921MeOH H311763 1.922 2.211 7.423 -1.8023 -1.5649 0.2496
3922MeOH Me111764 2.106 3.874 3.303 -0.1843 0.0349 -0.3416
3922MeOH O211765 2.032 3.749 3.351 -0.3294 0.5445 0.7987
3922MeOH H311766 2.100 3.678 3.372 -0.4915 0.0213 -0.4096
3923MeOH Me111767 1.511 1.230 3.707 -0.2806 0.5926 0.5323
3923MeOH O211768 1.647 1.289 3.744 0.0974 0.3851 -0.4991
3923MeOH H311769 1.661 1.373 3.691 -0.8431 1.1853 0.4896
3924MeOH Me111770 1.687 2.964 7.950 0.4029 -0.1249 -0.7412
3924MeOH O211771 1.752 2.922 8.081 -0.4518 0.0675 -0.2472
3924MeOH H311772 1.808 2.842 8.064 0.9440 0.9819 -0.1142
3925MeOH Me111773 2.748 4.438 0.328 -0.2531 -0.2288 0.0527
3925MeOH O211774 2.650 4.325 0.359 0.4964 -0.8174 0.3055
3925MeOH H311775 2.592 4.310 0.279 1.0369 -1.8476 0.0905
3926MeOH Me111776 0.047 0.425 1.046 0.0030 -0.4188 -0.1147
3926MeOH O211777 -0.041 0.416 1.171 0.2477 0.0934 0.0940
3926MeOH H311778 0.017 0.391 1.249 0.5005 0.9427 0.1991
3927MeOH Me111779 1.224 2.804 9.867 -0.2263 0.2598 0.0896
3927MeOH O211780 1.377 2.797 9.858 -0.2270 -0.0701 0.3254
3927MeOH H311781 1.402 2.780 9.763 -0.1491 -1.1598 0.5184
3928MeOH Me111782 0.345 3.983 6.939 0.1425 0.0238 -0.0247
3928MeOH O211783 0.369 3.847 7.005 0.1167 0.0604 0.0923
3928MeOH H311784 0.441 3.799 6.955 0.7499 0.3987 0.6722
3929MeOH Me111785 0.769 0.644 4.349 0.1345 0.0714 -0.1550
3929MeOH O211786 0.789 0.794 4.325 -0.0326 0.0544 -0.3931
3929MeOH H311787 0.815 0.836 4.411 1.0151 0.0284 -0.6832
3930MeOH Me111788 1.281 4.083 3.796 0.1891 -0.1952 -0.3081
3930MeOH O211789 1.394 4.035 3.888 -0.2209 0.1175 0.3497
3930MeOH H311790 1.476 4.022 3.833 0.0114 -0.1161 0.7450
3931MeOH Me111791 0.467 3.087 3.589 0.3676 0.5519 0.0688
3931MeOH O211792 0.521 3.225 3.629 0.6766 0.3774 0.2530
3931MeOH H311793 0.460 3.264 3.698 -0.7300 1.5388 -1.5573
3932MeOH Me111794 2.582 3.169 8.297 -0.2391 -0.0135 -0.0658
3932MeOH O211795 2.432 3.174 8.327 -0.0262 0.9184 0.9053
3932MeOH H311796 2.385 3.207 8.245 -0.3807 0.8819 1.0950
3933MeOH Me111797 3.832 0.906 6.786 -0.1536 -0.1530 -0.2367
3933MeOH O211798 3.786 0.850 6.921 -0.0504 0.1040 -0.0941
3933MeOH H311799 3.821 0.757 6.930 0.9324 0.5143 0.5477
3934MeOH Me111800 1.472 0.366 10.537 -0.6582 0.1339 0.1505
3934MeOH O211801 1.576 0.408 10.433 -0.2804 -0.2976 0.3503
3934MeOH H311802 1.652 0.344 10.437 -0.7862 -0.9252 0.1460
3935MeOH Me111803 4.846 0.386 7.923 -0.2336 -0.5653 -0.6922
3935MeOH O211804 4.937 0.456 8.024 -0.3793 -0.2963 -0.7443
3935MeOH H311805 5.027 0.411 8.022 -0.6164 -0.8262 0.0695
3936MeOH Me111806 3.291 0.911 2.714 -0.3753 0.4674 -1.0593
3936MeOH O211807 3.343 0.778 2.657 -0.1264 0.1048 -0.0103
3936MeOH H311808 3.440 0.789 2.637 -0.1114 0.0813 0.0491
3937MeOH Me111809 1.313 1.733 4.852 -0.1027 -0.1434 -0.1450
3937MeOH O211810 1.429 1.674 4.933 0.1464 0.4443 -0.0615
3937MeOH H311811 1.466 1.595 4.883 -0.5487 -0.4291 0.7635
3938MeOH Me111812 4.811 4.087 10.635 0.2237 -0.3505 -0.3549
3938MeOH O211813 4.743 4.221 10.661 0.1241 -0.4258 -0.2278
3938MeOH H311814 4.644 4.208 10.653 0.0769 -0.7096 0.7444
3939MeOH Me111815 3.873 4.240 6.259 0.1200 -0.3055 0.2304
3939MeOH O211816 3.969 4.241 6.378 0.1741 0.2205 0.1869
3939MeOH H311817 3.947 4.163 6.437 -0.9170 1.4172 1.4451
3940MeOH Me111818 3.871 2.792 6.004 0.5836 -0.3664 -0.6072
3940MeOH O211819 3.786 2.677 5.949 -0.2329 0.1009 -0.3359
3940MeOH H311820 3.826 2.590 5.978 -0.8881 -0.1226 -0.0705
3941MeOH Me111821 1.071 4.149 6.949 0.1892 -0.0914 -0.4083
3941MeOH O211822 0.992 4.061 7.046 0.5071 -0.1579 -0.2091
3941MeOH H311823 0.897 4.092 7.047 0.4811 -0.2467 0.0186
3942MeOH Me111824 2.989 2.183 2.268 -0.3284 -0.6061 0.1946
3942MeOH O211825 3.121 2.227 2.205 -0.5257 -0.9708 -0.4800
3942MeOH H311826 3.181 2.147 2.198 1.2154 -0.3165 4.0490
3943MeOH Me111827 4.321 4.324 10.644 -0.3124 0.8256 -0.1060
3943MeOH O211828 4.465 4.277 10.662 -0.5418 0.0962 -0.1417
3943MeOH H311829 4.494 4.298 10.756 0.0481 1.2402 -0.5622
3944MeOH Me111830 3.384 3.538 7.406 0.7414 0.7445 0.4250
3944MeOH O211831 3.370 3.620 7.277 -0.6394 0.5862 0.4628
3944MeOH H311832 3.273 3.640 7.263 -0.7331 1.1925 1.8636
3945MeOH Me111833 5.082 4.041 6.582 0.2258 -0.0283 -0.7176
3945MeOH O211834 4.975 3.931 6.583 0.4435 -0.2430 0.3852
3945MeOH H311835 4.964 3.899 6.677 -0.8030 1.9631 1.0718
3946MeOH Me111836 1.166 1.757 1.142 0.0171 0.3500 0.2934
3946MeOH O211837 1.122 1.775 0.997 0.2412 -0.7497 0.0797
3946MeOH H311838 1.027 1.806 0.996 1.4279 3.4443 -0.0771
3947MeOH Me111839 4.248 1.731 3.218 -0.3360 -0.2441 0.3497
3947MeOH O211840 4.306 1.738 3.359 0.2833 -0.2370 0.1011
3947MeOH H311841 4.256 1.808 3.411 1.1136 0.4182 0.0445
3948MeOH Me111842 0.455 4.313 10.175 0.0534 0.0679 0.2452
3948MeOH O211843 0.444 4.450 10.109 0.0618 -0.1038 -0.1118
3948MeOH H311844 0.497 4.516 10.162 0.1042 0.0230 -0.3082
3949MeOH Me111845 2.058 0.390 2.353 0.0763 0.6845 -0.1198
3949MeOH O211846 2.176 0.481 2.387 0.3114 0.3637 -0.0735
3949MeOH H311847 2.258 0.425 2.396 0.0230 0.0520 0.6544
3950MeOH Me111848 1.165 2.210 2.709 -0.0438 -0.4226 -0.4018
3950MeOH O211849 1.109 2.270 2.580 0.2782 -0.2660 -0.4704
3950MeOH H311850 1.087 2.196 2.517 -0.3403 -0.2381 -0.2962
3951MeOH Me111851 2.320 1.833 2.445 -0.3128 -0.1292 -0.0165
3951MeOH O211852 2.451 1.754 2.437 0.2379 0.7556 -0.0074
3951MeOH H311853 2.431 1.665 2.394 0.7496 0.4318 0.4186
3952MeOH Me111854 4.320 2.513 8.676 0.4490 0.8576 -0.4058
3952MeOH O211855 4.248 2.503 8.541 -0.1559 0.3267 -0.0479
3952MeOH H311856 4.304 2.549 8.472 -1.3408 1.7085 -0.1275
3953MeOH Me111857 2.396 2.252 9.877 0.5245 0.3230 -0.1198
3953MeOH O211858 2.346 2.140 9.786 -0.1788 0.6902 -0.1915
3953MeOH H311859 2.337 2.176 9.693 1.6372 0.4008 -0.5165
3954MeOH Me111860 2.860 1.338 5.028 -0.1852 -0.2820 -0.2467
3954MeOH O211861 2.995 1.284 4.979 -0.1613 -0.1295 -0.3494
3954MeOH H311862 2.979 1.220 4.904 -0.4436 -2.8726 1.8705
3955MeOH Me111863 2.610 4.222 9.811 -0.0912 0.2149 -0.5150
3955MeOH O211864 2.672 4.279 9.939 0.4661 -0.0209 -0.6793
3955MeOH H311865 2.637 4.227 10.017 -0.1892 0.6681 -0.5138
3956MeOH Me111866 3.321 -0.045 6.926 0.3968 0.2346 0.6154
3956MeOH O211867 3.321 0.092 6.858 0.6631 -0.1174 -0.1043
3956MeOH H311868 3.380 0.153 6.911 0.9057 0.0074 -0.5128
3957MeOH Me111869 4.051 3.049 3.990 -0.2116 0.0010 0.1675
3957MeOH O211870 4.057 2.905 3.940 -0.8555 0.1142 -0.2480
3957MeOH H311871 4.152 2.876 3.939 -0.9256 -0.1024 -0.9324
3958MeOH Me111872 0.984 0.458 7.347 -0.1426 0.5401 0.5640
3958MeOH O211873 0.960 0.560 7.459 -0.2340 0.4141 0.6611
3958MeOH H311874 0.976 0.515 7.547 -0.4289 0.2803 0.6290
3959MeOH Me111875 1.280 4.959 3.136 0.2353 0.2597 0.0604
3959MeOH O211876 1.292 4.996 2.988 -0.0804 0.5541 0.1072
3959MeOH H311877 1.204 5.033 2.957 0.3826 2.3905 0.8523
3960MeOH Me111878 4.600 -0.011 2.488 -0.1539 0.0981 -0.7728
3960MeOH O211879 4.457 0.001 2.540 0.0243 0.8489 -0.4484
3960MeOH H311880 4.395 0.011 2.462 -0.1780 0.3676 -0.3537
3961MeOH Me111881 0.939 1.238 7.464 0.8680 0.4904 -0.2940
3961MeOH O211882 0.905 1.350 7.366 -0.1500 0.0662 -0.4367
3961MeOH H311883 0.941 1.325 7.275 0.0493 0.2533 -0.4119
3962MeOH Me111884 3.942 1.807 7.216 -0.1931 0.1182 -0.3173
3962MeOH O211885 3.839 1.846 7.323 0.1312 0.0876 0.0088
3962MeOH H311886 3.885 1.849 7.412 0.1576 -1.0721 0.0463
3963MeOH Me111887 3.229 0.398 10.517 0.3117 0.2671 -0.0630
3963MeOH O211888 3.175 0.276 10.593 -0.2754 0.6027 0.0671
3963MeOH H311889 3.146 0.208 10.527 -1.0073 0.8382 0.1345
3964MeOH Me111890 4.178 0.374 0.921 -0.1108 0.3356 -0.1499
3964MeOH O211891 4.196 0.352 0.770 0.7586 0.3443 -0.0561
3964MeOH H311892 4.154 0.428 0.722 -0.2155 -0.3386 -0.3220
3965MeOH Me111893 0.375 2.509 5.826 0.7192 -0.2587 0.0055
3965MeOH O211894 0.414 2.611 5.719 -0.3833 0.2787 0.1098
3965MeOH H311895 0.331 2.661 5.691 -0.9626 -0.6987 0.0396
3966MeOH Me111896 3.602 1.283 10.646 -0.4996 -0.4108 0.0150
3966MeOH O211897 3.520 1.255 10.521 0.2027 0.1599 -0.5807
3966MeOH H311898 3.489 1.342 10.483 -1.8881 0.2807 1.2001
3967MeOH Me111899 0.964 0.925 5.450 0.2529 0.3930 0.0508
3967MeOH O211900 0.871 0.988 5.346 0.2469 -0.3957 -0.4244
3967MeOH H311901 0.788 1.019 5.392 1.1228 1.8458 -0.2750
3968MeOH Me111902 0.421 2.930 3.126 -0.0796 0.2874 -0.0317
3968MeOH O211903 0.554 2.894 3.191 -0.5595 -0.2972 0.6431
3968MeOH H311904 0.539 2.817 3.254 -1.5931 1.0082 2.0646
3969MeOH Me111905 3.169 1.654 6.747 0.1799 0.1506 -0.2037
3969MeOH O211906 3.116 1.517 6.789 -0.1543 0.2064 -0.4425
3969MeOH H311907 3.033 1.498 6.737 -0.5465 0.7692 -0.0414
3970MeOH Me111908 1.990 3.477 3.087 0.1339 0.1617 -0.2275
3970MeOH O211909 2.052 3.396 3.201 -0.1582 0.3365 0.0550
3970MeOH H311910 2.120 3.453 3.247 0.8892 -0.1238 -0.8720
3971MeOH Me111911 3.551 3.701 4.149 0.0864 0.0265 -0.4992
3971MeOH O211912 3.484 3.596 4.060 -0.3142 -0.3050 0.1785
3971MeOH H311913 3.426 3.643 3.994 -1.7501 -0.6226 1.1742
3972MeOH Me111914 2.828 1.468 7.490 -0.2011 0.1601 0.2353
3972MeOH O211915 2.738 1.585 7.449 -0.2437 0.1888 0.4085
3972MeOH H311916 2.790 1.669 7.456 -0.5055 0.2884 1.2846
3973MeOH Me111917 3.354 4.573 3.725 0.3893 -0.3699 -0.5051
3973MeOH O211918 3.369 4.668 3.606 0.3573 -0.2504 -0.4136
3973MeOH H311919 3.278 4.690 3.571 0.2899 0.4778 0.1748
3974MeOH Me111920 3.197 4.788 6.647 0.0762 0.3018 0.3979
3974MeOH O211921 3.270 4.690 6.556 -0.7572 0.1401 -0.1069
3974MeOH H311922 3.263 4.723 6.462 -0.2712 0.8195 0.0891
3975MeOH Me111923 4.270 4.449 10.213 -0.3392 0.1927 -0.3655
3975MeOH O211924 4.374 4.526 10.131 -0.1302 0.2028 -0.0911
3975MeOH H311925 4.465 4.492 10.156 -0.1139 0.9216 0.9076
3976MeOH Me111926 1.193 2.583 11.089 -0.3185 -0.2989 0.1987
3976MeOH O211927 1.216 2.488 10.971 -0.5155 0.3794 -0.3948
3976MeOH H311928 1.178 2.530 10.888 -0.4098 0.9808 -0.1433
3977MeOH Me111929 2.088 0.346 1.253 -0.4075 -0.0697 -0.0898
3977MeOH O211930 2.162 0.256 1.154 -0.2694 -0.3729 0.2838
3977MeOH H311931 2.146 0.161 1.179 -1.1987 -0.3254 -0.0778
3978MeOH Me111932 3.962 4.809 10.515 -0.7146 0.2771 -0.0514
3978MeOH O211933 3.845 4.743 10.588 -0.5022 -0.3029 -0.2257
3978MeOH H311934 3.794 4.814 10.637 -0.6343 -0.6245 0.1038
3979MeOH Me111935 0.218 0.113 10.770 -0.0337 -0.8141 -0.0070
3979MeOH O211936 0.339 0.163 10.691 0.0097 -0.3678 0.3384
3979MeOH H311937 0.421 0.154 10.748 0.0755 -1.2878 0.1086
3980MeOH Me111938 2.738 4.290 3.756 -0.3195 -0.2590 -1.1248
3980MeOH O211939 2.809 4.398 3.675 0.1880 0.1077 -0.1953
3980MeOH H311940 2.903 4.369 3.658 0.5757 0.5921 1.0005
3981MeOH Me111941 0.508 0.576 10.269 -0.4425 0.2351 -0.3398
3981MeOH O211942 0.419 0.656 10.365 -0.5479 0.1862 -0.3933
3981MeOH H311943 0.380 0.592 10.432 2.2370 0.5912 1.8092
3982MeOH Me111944 3.904 2.330 6.797 -0.1423 0.0848 -0.0926
3982MeOH O211945 3.908 2.439 6.689 -0.2728 0.1090 -0.0735
3982MeOH H311946 3.818 2.446 6.648 -0.0573 -0.6205 -0.6992
3983MeOH Me111947 4.880 2.459 10.963 -0.0932 -0.3198 0.3584
3983MeOH O211948 4.909 2.587 10.884 -0.1324 -0.6280 -0.1564
3983MeOH H311949 4.999 2.620 10.909 -0.4767 -0.0433 0.3286
3984MeOH Me111950 0.018 0.273 0.727 -0.1158 0.7709 -0.5345
3984MeOH O211951 0.057 0.133 0.678 0.2190 0.1823 1.3179
3984MeOH H311952 -0.019 0.071 0.696 -0.4336 0.6845 0.3716
3985MeOH Me111953 3.075 0.804 7.489 0.0566 -0.3645 0.3393
3985MeOH O211954 3.125 0.660 7.473 0.2666 -0.3006 0.5594
3985MeOH H311955 3.054 0.607 7.427 0.7554 -0.2426 -0.2814
3986MeOH Me111956 0.368 4.713 1.448 0.3174 -0.0612 -0.3742
3986MeOH O211957 0.234 4.722 1.375 0.2505 0.4310 -0.1968
3986MeOH H311958 0.218 4.817 1.349 0.4355 0.5372 0.0633
3987MeOH Me111959 2.558 3.857 4.118 0.4932 0.6591 0.4851
3987MeOH O211960 2.655 3.892 4.005 -0.0434 0.8585 0.0835
3987MeOH H311961 2.640 3.828 3.930 2.0263 -1.3711 1.4339
3988MeOH Me111962 4.290 1.313 9.625 0.4252 0.0328 -0.4678
3988MeOH O211963 4.426 1.293 9.691 0.2197 0.2744 0.0328
3988MeOH H311964 4.451 1.377 9.738 0.7845 1.0083 -1.5144
3989MeOH Me111965 2.334 4.788 7.991 0.0812 0.3716 0.3344
3989MeOH O211966 2.303 4.671 8.086 -0.0004 -0.0322 -0.1832
3989MeOH H311967 2.281 4.709 8.176 1.2846 -0.4673 0.3292
3990MeOH Me111968 2.753 4.529 2.003 -0.3356 0.3061 0.3697
3990MeOH O211969 2.777 4.620 1.882 0.0524 -0.0868 0.1465
3990MeOH H311970 2.778 4.563 1.799 -1.4069 -0.1617 0.1525
3991MeOH Me111971 0.970 1.861 6.376 0.0013 0.0212 -0.0506
3991MeOH O211972 1.007 1.926 6.243 -0.4374 0.3867 0.0015
3991MeOH H311973 0.938 1.902 6.175 0.3813 -1.0765 -0.3361
3992MeOH Me111974 3.231 2.289 6.369 0.2695 0.2481 -0.0102
3992MeOH O211975 3.154 2.284 6.237 0.2842 0.2116 -0.0191
3992MeOH H311976 3.086 2.211 6.242 -0.3523 0.8188 0.3267
3993MeOH Me111977 1.376 4.123 10.315 0.6806 0.0273 0.0604
3993MeOH O211978 1.270 4.147 10.208 0.9025 -0.2512 -0.2262
3993MeOH H311979 1.238 4.059 10.174 0.3014 -0.3728 0.6062
3994MeOH Me111980 4.464 0.084 1.117 -0.3749 -0.1700 -0.5368
3994MeOH O211981 4.408 0.226 1.125 0.4614 0.1519 -0.1853
3994MeOH H311982 4.312 0.221 1.154 0.6919 0.7094 0.7048
3995MeOH Me111983 1.723 2.716 1.597 0.0840 -0.1492 -0.1534
3995MeOH O211984 1.667 2.574 1.608 -0.2787 -0.0180 -0.2828
3995MeOH H311985 1.725 2.513 1.554 0.3219 -0.3265 0.6793
3996MeOH Me111986 2.850 2.160 7.678 -0.2881 0.7023 -0.1994
3996MeOH O211987 2.806 2.287 7.751 -0.1717 0.2596 0.6477
3996MeOH H311988 2.756 2.260 7.833 -2.0231 -0.2762 -0.5953
3997MeOH Me111989 0.023 3.483 6.559 0.2090 -0.2342 -0.3580
3997MeOH O211990 0.038 3.331 6.563 0.0309 -0.2412 0.0636
3997MeOH H311991 0.002 3.298 6.651 0.7546 0.1272 0.5068
3998MeOH Me111992 3.852 1.052 2.383 0.1643 -0.4967 0.2468
3998MeOH O211993 3.736 0.963 2.339 0.0420 0.0301 -0.5158
3998MeOH H311994 3.709 0.989 2.246 0.9407 -0.0173 -0.7980
3999MeOH Me111995 1.770 1.092 9.485 0.3808 0.3649 0.2466
3999MeOH O211996 1.920 1.081 9.510 0.3831 -0.3427 -0.0818
3999MeOH H311997 1.954 1.169 9.543 1.3644 0.4083 -2.7789
4000MeOH Me111998 4.958 3.751 5.920 0.0351 0.1741 0.0302
4000MeOH O211999 4.877 3.782 5.794 -0.4437 0.5415 0.4218
4000MeOH H312000 4.939 3.819 5.725 -0.1250 -1.8459 -0.6817
5.01785 5.01785 30.00000