# Details of computing
0: ASUNAD.cif
1: FOKZUC.cif
2: GIJYEF.cif
3: GIJYIJ.cif
4: JIVRAH.cif
5: RUHQEQ.cif
6: SEMNIH.cif
7: SEMNIH01.cif
8: SEMNUT.cif
9: TPHPOR01.cif
10: TPHPOR04.cif
11: TPHPOR10.cif
12: TPHPOR11.cif
13: TPHPOR12.cif
14: TPHPOR13.cif
15: TPHPOR14.cif
16: TPPFEC.cif
17: WIXZAF.cif
18: XAGLOG.cif
19: XAGLUM.cif
20: XAGMAT.cif
21: XAQKOR.cif
-------------------------------------
| | 0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 |
| 0 | 0.0000 |
20.7360 |
16.7385 |
33.7356 |
19.2547 |
19.4973 |
19.1611 |
19.1911 |
19.0724 |
18.5034 |
18.4343 |
30.6120 |
18.4869 |
18.4820 |
18.4709 |
18.5288 |
24.6125 |
28.7168 |
19.4337 |
19.4626 |
19.6683 |
21.0631 |
| 1 | 20.7360 |
0.0000 |
18.2689 |
33.0015 |
18.8750 |
20.1412 |
18.7748 |
18.7569 |
18.5788 |
18.1046 |
18.0242 |
29.3034 |
18.0010 |
17.9658 |
17.9961 |
18.1024 |
22.6017 |
27.2898 |
18.6373 |
18.5731 |
18.6458 |
17.2556 |
| 2 | 16.7385 |
18.2689 |
0.0000 |
18.9535 |
6.3751 |
10.1847 |
6.5626 |
6.5834 |
6.6105 |
6.5004 |
6.5155 |
17.4772 |
6.6599 |
6.6029 |
6.7256 |
6.5101 |
13.8229 |
18.4996 |
6.4641 |
6.4172 |
6.7258 |
9.6410 |
| 3 | 33.7356 |
33.0015 |
18.9535 |
0.0000 |
16.0652 |
22.3174 |
16.2246 |
16.3431 |
16.5916 |
13.3322 |
13.4200 |
19.9534 |
13.6909 |
13.6350 |
13.7212 |
13.3894 |
24.5020 |
23.2806 |
16.8084 |
16.9003 |
17.1263 |
25.3132 |
| 4 | 19.2547 |
18.8750 |
6.3751 |
16.0652 |
0.0000 |
15.0262 |
0.4968 |
0.4950 |
3.9681 |
3.9898 |
4.0273 |
16.2308 |
4.0630 |
4.0167 |
4.0645 |
4.0094 |
21.2600 |
23.6785 |
2.4833 |
2.5816 |
2.4258 |
16.1055 |
| 5 | 19.4973 |
20.1412 |
10.1847 |
22.3174 |
15.0262 |
0.0000 |
14.5152 |
14.5914 |
11.6318 |
11.2094 |
11.1345 |
26.2735 |
11.0272 |
11.3038 |
11.0058 |
11.2524 |
7.3028 |
14.9407 |
12.1916 |
12.1553 |
11.6297 |
5.4173 |
| 6 | 19.1611 |
18.7748 |
6.5626 |
16.2246 |
0.4968 |
14.5152 |
0.0000 |
0.0350 |
4.0093 |
3.8872 |
3.9180 |
16.5316 |
3.9572 |
3.9263 |
3.9575 |
3.9002 |
20.7506 |
23.2391 |
2.8020 |
2.9097 |
2.7489 |
15.8368 |
| 7 | 19.1911 |
18.7569 |
6.5834 |
16.3431 |
0.4950 |
14.5914 |
0.0350 |
0.0000 |
4.0204 |
3.8770 |
3.9060 |
16.5990 |
3.9435 |
3.9147 |
3.9440 |
3.8894 |
20.6873 |
23.1555 |
2.8156 |
2.9262 |
2.7617 |
15.7109 |
| 8 | 19.0724 |
18.5788 |
6.6105 |
16.5916 |
3.9681 |
11.6318 |
4.0093 |
4.0204 |
0.0000 |
4.4665 |
4.4532 |
16.5547 |
4.4142 |
4.4886 |
4.4126 |
4.4563 |
17.0528 |
18.0692 |
1.7641 |
1.7848 |
2.0282 |
11.3700 |
| 9 | 18.5034 |
18.1046 |
6.5004 |
13.3322 |
3.9898 |
11.2094 |
3.8872 |
3.8770 |
4.4665 |
0.0000 |
0.0532 |
16.6294 |
0.2060 |
0.2490 |
0.1957 |
0.0346 |
17.2078 |
18.6304 |
3.2065 |
3.1050 |
2.9724 |
11.7476 |
| 10 | 18.4343 |
18.0242 |
6.5155 |
13.4200 |
4.0273 |
11.1345 |
3.9180 |
3.9060 |
4.4532 |
0.0532 |
0.0000 |
16.6124 |
0.1974 |
0.2052 |
0.1857 |
0.0250 |
17.2959 |
18.6722 |
3.2191 |
3.1156 |
2.9862 |
11.7776 |
| 11 | 30.6120 |
29.3034 |
17.4772 |
19.9534 |
16.2308 |
26.2735 |
16.5316 |
16.5990 |
16.5547 |
16.6294 |
16.6124 |
0.0000 |
14.7010 |
14.6800 |
14.6991 |
14.7017 |
30.8334 |
23.7544 |
14.7246 |
14.3355 |
14.1461 |
24.3745 |
| 12 | 18.4869 |
18.0010 |
6.6599 |
13.6909 |
4.0630 |
11.0272 |
3.9572 |
3.9435 |
4.4142 |
0.2060 |
0.1974 |
14.7010 |
0.0000 |
0.1317 |
0.0103 |
0.2051 |
17.5670 |
18.7327 |
3.1992 |
3.0792 |
2.9691 |
11.9675 |
| 13 | 18.4820 |
17.9658 |
6.6029 |
13.6350 |
4.0167 |
11.3038 |
3.9263 |
3.9147 |
4.4886 |
0.2490 |
0.2052 |
14.6800 |
0.1317 |
0.0000 |
0.1317 |
0.2203 |
17.5311 |
18.7030 |
3.2016 |
3.0963 |
2.9907 |
11.9314 |
| 14 | 18.4709 |
17.9961 |
6.7256 |
13.7212 |
4.0645 |
11.0058 |
3.9575 |
3.9440 |
4.4126 |
0.1957 |
0.1857 |
14.6991 |
0.0103 |
0.1317 |
0.0000 |
0.1943 |
17.5245 |
18.7085 |
3.1948 |
3.0751 |
2.9635 |
11.6179 |
| 15 | 18.5288 |
18.1024 |
6.5101 |
13.3894 |
4.0094 |
11.2524 |
3.9002 |
3.8894 |
4.4563 |
0.0346 |
0.0250 |
14.7017 |
0.2051 |
0.2203 |
0.1943 |
0.0000 |
17.3107 |
18.6856 |
3.2086 |
3.1071 |
2.9777 |
11.7931 |
| 16 | 24.6125 |
22.6017 |
13.8229 |
24.5020 |
21.2600 |
7.3028 |
20.7506 |
20.6873 |
17.0528 |
17.2078 |
17.2959 |
30.8334 |
17.5670 |
17.5311 |
17.5245 |
17.3107 |
0.0000 |
15.0256 |
19.6774 |
19.2872 |
18.7923 |
8.0100 |
| 17 | 28.7168 |
27.2898 |
18.4996 |
23.2806 |
23.6785 |
14.9407 |
23.2391 |
23.1555 |
18.0692 |
18.6304 |
18.6722 |
23.7544 |
18.7327 |
18.7030 |
18.7085 |
18.6856 |
15.0256 |
0.0000 |
18.1298 |
17.8852 |
19.0779 |
14.4963 |
| 18 | 19.4337 |
18.6373 |
6.4641 |
16.8084 |
2.4833 |
12.1916 |
2.8020 |
2.8156 |
1.7641 |
3.2065 |
3.2191 |
14.7246 |
3.1992 |
3.2016 |
3.1948 |
3.2086 |
19.6774 |
18.1298 |
0.0000 |
0.2035 |
0.3723 |
12.9813 |
| 19 | 19.4626 |
18.5731 |
6.4172 |
16.9003 |
2.5816 |
12.1553 |
2.9097 |
2.9262 |
1.7848 |
3.1050 |
3.1156 |
14.3355 |
3.0792 |
3.0963 |
3.0751 |
3.1071 |
19.2872 |
17.8852 |
0.2035 |
0.0000 |
0.2178 |
12.7036 |
| 20 | 19.6683 |
18.6458 |
6.7258 |
17.1263 |
2.4258 |
11.6297 |
2.7489 |
2.7617 |
2.0282 |
2.9724 |
2.9862 |
14.1461 |
2.9691 |
2.9907 |
2.9635 |
2.9777 |
18.7923 |
19.0779 |
0.3723 |
0.2178 |
0.0000 |
12.9700 |
| 21 | 21.0631 |
17.2556 |
9.6410 |
25.3132 |
16.1055 |
5.4173 |
15.8368 |
15.7109 |
11.3700 |
11.7476 |
11.7776 |
24.3745 |
11.9675 |
11.9314 |
11.6179 |
11.7931 |
8.0100 |
14.4963 |
12.9813 |
12.7036 |
12.9700 |
0.0000 |