╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.0582 | 0.5021 | 0.2243 | 1.8200 | Na |
2 | 0.4394 | 0.1123 | 0.2650 | 1.6000 | Na |
3 | 0.1531 | 0.5519 | 0.0447 | 2.3500 | Na |
4 | 0.4717 | 0.8478 | 0.0948 | 1.7600 | Na |
5 | 0.3509 | 0.6534 | 0.1687 | 1.0200 | O |
6 | 0.2911 | 0.9899 | 0.1748 | 1.4100 | O |
7 | 0.2324 | 0.3425 | 0.1675 | 1.1200 | O |
8 | 0.1444 | 0.7376 | 0.1465 | 1.0800 | O |
9 | 0.0842 | 0.0896 | 0.1657 | 1.2800 | O |
10 | 0.9519 | 0.8115 | 0.1839 | 0.7900 | O |
11 | 0.9987 | 0.9050 | 0.0757 | 1.4400 | O |
12 | 0.8168 | 0.7285 | 0.0905 | 1.2700 | O |
13 | 0.8532 | 0.8572 | 0.9893 | 1.5300 | OH |
14 | 0.8494 | 0.4951 | 0.1792 | 1.0100 | O |
15 | 0.7349 | 0.8029 | 0.1911 | 1.2100 | O |
16 | 0.7901 | 0.1547 | 0.1908 | 1.4900 | O |
17 | 0.5853 | 0.0516 | 0.1735 | 1.1100 | O |
18 | 0.6471 | 0.4022 | 0.1519 | 1.2100 | O |
19 | 0.4505 | 0.3327 | 0.1795 | 0.8800 | O |
20 | 0.5159 | 0.2176 | 0.0761 | 1.1800 | O |
21 | 0.4102 | 0.2959 | 0.9790 | 1.6100 | OH |
22 | 0.3435 | 0.4285 | 0.0778 | 1.3300 | O |
23 | 0.3087 | 0.8243 | 0.0150 | 2.4100 | H2O |
24 | 0.9588 | 0.3782 | 0.0613 | 2.6600 | H2O |
25 | 0.2594 | 0.7871 | 0.1648 | 0.9500 | B |
26 | 0.2029 | 0.1443 | 0.1691 | 0.8000 | B |
27 | 0.0419 | 0.8854 | 0.1448 | 0.7200 | B |
28 | 0.8910 | 0.8321 | 0.0527 | 0.9500 | B |
29 | 0.8399 | 0.7129 | 0.1623 | 0.7700 | B |
30 | 0.7034 | 0.0024 | 0.1852 | 0.8800 | B |
31 | 0.7600 | 0.3537 | 0.1740 | 0.8800 | B |
32 | 0.5473 | 0.2560 | 0.1454 | 0.7100 | B |
33 | 0.4216 | 0.3173 | 0.0448 | 0.9900 | B |
34 | 0.3467 | 0.4326 | 0.1491 | 0.8100 | B |
35 | 0.3600 | 0.8200 | 0.9850 | 4.0000 | H |
36 | 0.2800 | 0.9700 | 0.0100 | 4.0000 | H |
37 | 0.9710 | 0.2300 | 0.0670 | 4.0000 | H |
38 | 0.9450 | 0.4150 | 0.1030 | 4.0000 | H |
39 | 0.9100 | 0.9300 | 0.9650 | 4.0000 | H |
40 | 0.3430 | 0.3100 | 0.9630 | 4.0000 | H |