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| Name |
MOL_WT |
S8_1DX |
S8_1DY |
S8_1DZ |
S8_1CX |
S8_1CY |
S8_1CZ |
LOGP |
M_PNT |
SUM_F |
SUM_R |
| K17 |
264.3255 |
6.9012 |
9.7093 |
5.3613 |
5.2365 |
-5.0591 |
-0.5692 |
3.007 |
62 |
0.25 |
-0.23 |
| D30 |
364.3583 |
9.434 |
10.5818 |
6.824 |
6.4758 |
-5.4216 |
-0.9107 |
3.686 |
178 |
0.67 |
0.16 |
| J19 |
390.5683 |
10.8214 |
18.7441 |
6.9792 |
7.1781 |
-9.5838 |
-1.5017 |
7.23 |
71 |
0.28 |
-0.26 |
| A5 |
436.3102 |
11.7727 |
10.6567 |
5.5288 |
8.5385 |
-1.6179 |
-1.1429 |
5.73 |
165 |
0.52 |
1.00E-02 |
| J1 |
376.5414 |
17.0896 |
13.6199 |
7.0784 |
11.1982 |
-4.9646 |
-1.5653 |
7.239 |
81 |
0.25 |
-0.23 |
| K18 |
292.3795 |
7.9625 |
11.8851 |
5.9513 |
5.7534 |
-6.1533 |
-0.9282 |
4.065 |
78 |
0.25 |
-0.23 |
| G2 |
417.2489 |
11.8036 |
9.959 |
6.2589 |
8.533 |
-1.2691 |
-1.2271 |
5.96 |
183 |
0.25 |
-0.23 |
| L25 |
406.5678 |
11.5158 |
21.1088 |
7.5424 |
33.7905 |
18.2964 |
0 |
9.52 |
79 |
0.67 |
0.16 |
| A10 |
452.3096 |
11.7258 |
10.6374 |
5.6009 |
8.5063 |
-1.6703 |
-1.4219 |
5.67 |
195 |
0.54 |
0.22 |
| C11 |
362.3422 |
11.7909 |
9.5562 |
4.8335 |
8.5199 |
-2.0179 |
1.2512 |
4.888 |
212 |
0.67 |
-0.23 |
| D23 |
314.3419 |
9.2551 |
8.3913 |
5.2754 |
6.3405 |
-4.3674 |
1.1964 |
5.354 |
227 |
0.67 |
0.16 |
| F15 |
452.3096 |
11.6899 |
9.6063 |
6.4384 |
8.4671 |
-1.2903 |
-1.7341 |
5.681 |
178 |
0.54 |
0.23 |
| G4 |
420.3108 |
11.7604 |
10.1024 |
6.2214 |
8.5191 |
-1.4426 |
-1.0338 |
7.372 |
143 |
0.2 |
-0.18 |
| G9 |
420.3108 |
11.7836 |
9.9952 |
6.2577 |
8.5281 |
-1.3386 |
-1.2163 |
7.372 |
151 |
0.2 |
-0.18 |
| I26 |
418.2366 |
8.622 |
11.7029 |
7.8834 |
5.9993 |
-5.7537 |
-1.6195 |
6.811 |
173 |
0.67 |
0.16 |
| N31 |
277.6643 |
5.6061 |
7.7776 |
4.4484 |
3.8719 |
-3.7972 |
0.2244 |
4.654 |
170 |
0.67 |
0.16 |
| H14 |
414.8027 |
12.9533 |
10.076 |
6.4081 |
9.1197 |
-1.7659 |
-1.234 |
6.18 |
159 |
0.67 |
-0.23 |
| M6 |
419.2213 |
11.7962 |
9.9618 |
6.2654 |
8.5331 |
-1.2725 |
-1.2412 |
6.994 |
192 |
0.67 |
0.16 |
| L21 |
378.5138 |
10.7617 |
18.8944 |
7.267 |
30.9758 |
16.4613 |
-1.6728 |
8.47 |
67 |
0.67 |
0.16 |
| E20 |
350.4599 |
10.0295 |
16.4804 |
7.1094 |
6.7639 |
-8.4629 |
-1.463 |
8.466 |
90 |
0.67 |
0.16 |
| B13 |
429.7738 |
12.4982 |
9.2788 |
8.4438 |
8.6865 |
-1.5737 |
-1.1706 |
6.113 |
208 |
0.67 |
-0.23 |
| B8 |
418.3296 |
12.714 |
9.8967 |
7.28 |
8.8229 |
-1.916 |
-1.5777 |
6.695 |
199 |
0.67 |
0.16 |
| B27 |
418.3296 |
11.1225 |
11.9605 |
6.7951 |
7.1463 |
-5.9329 |
-1.2049 |
6.695 |
176 |
0.67 |
0.16 |
| B29 |
452.7746 |
11.1316 |
11.6704 |
6.234 |
7.1444 |
-5.7897 |
-1.2802 |
7.269 |
192 |
0.67 |
0.16 |
| C12 |
431.2323 |
11.8248 |
11.6162 |
4.7136 |
8.5351 |
-2.2636 |
1.2017 |
6.205 |
246 |
0.67 |
-0.23 |
| C16 |
435.2819 |
10.182 |
11.9139 |
6.9458 |
7.3657 |
-2.4667 |
2.2822 |
6.838 |
222 |
0.67 |
-0.23 |
| L22 |
412.9588 |
10.7824 |
18.9532 |
7.2213 |
31.3191 |
16.5005 |
-1.6306 |
9.3 |
81 |
1.08 |
1.00E-02 |
| B3 |
419.2213 |
11.7737 |
10.0132 |
6.2309 |
8.5327 |
-1.3552 |
-1.285 |
6.994 |
207 |
0.67 |
0.16 |
| E24 |
350.4599 |
10.0295 |
16.4804 |
7.1094 |
6.7639 |
-8.4629 |
-1.463 |
7.408 |
85 |
0.67 |
0.16 |
| B28 |
484.8346 |
10.5676 |
13.4492 |
6.8999 |
6.8571 |
-6.6848 |
-1.2939 |
7.869 |
195 |
0.67 |
0.16 |
| B7 |
399.2335 |
11.7825 |
9.9721 |
6.257 |
8.5308 |
-1.3163 |
-1.2838 |
6.755 |
256 |
0.51 |
0.19 |
Last updated: March 15, 2001
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