# Details of computing
0: CABQIF.cif
1: CABQOL.cif
2: CABQUR.cif
3: CABRUS.cif
4: CABWAD.cif
5: CABWIL.cif
6: CEMEBR01.cif
7: CEMEBR02.cif
8: DORDOD.cif
9: DORGIA.cif
10: DORMEC.cif
11: HABVOV.cif
12: HDCMAI.cif
13: HUMRAJ.cif
14: LIQQEH.cif
15: LIQQOR.cif
16: POGKOM.cif
17: QQQHFD01.cif
18: XIDQEG.cif
19: ZOMDEK.cif
20: ZOMDIO.cif
-------------------------------------
| | 0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 |
| 0 | 0.0000 |
6.1512 |
5.9454 |
6.1880 |
113.1224 |
240.5034 |
104.0032 |
104.8402 |
10.5675 |
6.0862 |
6.4147 |
85.1273 |
82.6273 |
206.2644 |
6.5928 |
7.8100 |
3.6344 |
102.8048 |
5.6560 |
5.5137 |
10.6481 |
| 1 | 6.1512 |
0.0000 |
1.5047 |
1.8574 |
194.8012 |
243.3151 |
87.4739 |
86.7300 |
1.1831 |
1.0471 |
0.8836 |
21.3607 |
64.0757 |
223.0066 |
1.0963 |
4.2700 |
9.0020 |
86.8004 |
87.0629 |
1.1494 |
1.2357 |
| 2 | 5.9454 |
1.5047 |
0.0000 |
0.9789 |
195.5184 |
240.3911 |
86.1375 |
85.7240 |
0.7910 |
0.7596 |
0.8683 |
20.3448 |
71.5040 |
228.0017 |
1.0362 |
4.1959 |
8.5530 |
87.3258 |
81.3984 |
0.8664 |
0.9112 |
| 3 | 6.1880 |
1.8574 |
0.9789 |
0.0000 |
199.4402 |
224.8830 |
88.7190 |
90.6979 |
1.6440 |
1.7089 |
1.6793 |
13.4033 |
74.4707 |
228.3822 |
1.6420 |
4.9424 |
11.1549 |
94.0933 |
76.4138 |
1.6972 |
1.6926 |
| 4 | 113.1224 |
194.8012 |
195.5184 |
199.4402 |
0.0000 |
249.0032 |
183.2816 |
185.9270 |
171.3227 |
169.4613 |
169.1903 |
227.4253 |
214.2747 |
249.4809 |
196.9190 |
124.2275 |
110.7213 |
195.7378 |
50.4403 |
170.7451 |
173.2699 |
| 5 | 240.5034 |
243.3151 |
240.3911 |
224.8830 |
249.0032 |
0.0000 |
238.7248 |
234.8589 |
209.3681 |
209.6405 |
209.9121 |
172.9558 |
228.4674 |
229.5256 |
234.7475 |
225.6265 |
246.2404 |
241.1261 |
262.5826 |
209.8241 |
208.4245 |
| 6 | 104.0032 |
87.4739 |
86.1375 |
88.7190 |
183.2816 |
238.7248 |
0.0000 |
1.3755 |
7.5165 |
7.0284 |
7.3390 |
27.6736 |
37.3247 |
104.6547 |
9.6477 |
14.0712 |
25.0307 |
6.9250 |
155.2197 |
9.2884 |
7.8100 |
| 7 | 104.8402 |
86.7300 |
85.7240 |
90.6979 |
185.9270 |
234.8589 |
1.3755 |
0.0000 |
4.0884 |
3.5143 |
3.7695 |
20.6034 |
24.1882 |
93.0749 |
4.4066 |
10.8639 |
28.9248 |
2.4820 |
165.1615 |
3.6640 |
3.8710 |
| 8 | 10.5675 |
1.1831 |
0.7910 |
1.6440 |
171.3227 |
209.3681 |
7.5165 |
4.0884 |
0.0000 |
0.3110 |
0.4240 |
10.7561 |
56.1689 |
225.6468 |
0.9784 |
3.8061 |
7.7633 |
76.8415 |
97.4856 |
0.3114 |
0.2022 |
| 9 | 6.0862 |
1.0471 |
0.7596 |
1.7089 |
169.4613 |
209.6405 |
7.0284 |
3.5143 |
0.3110 |
0.0000 |
0.2582 |
22.8423 |
75.7645 |
221.9850 |
0.8002 |
3.7883 |
7.6652 |
85.7349 |
86.5686 |
0.2855 |
0.3227 |
| 10 | 6.4147 |
0.8836 |
0.8683 |
1.6793 |
169.1903 |
209.9121 |
7.3390 |
3.7695 |
0.4240 |
0.2582 |
0.0000 |
24.0097 |
75.8199 |
222.3376 |
0.6208 |
3.7685 |
7.8234 |
86.0415 |
84.8158 |
0.4436 |
0.3537 |
| 11 | 85.1273 |
21.3607 |
20.3448 |
13.4033 |
227.4253 |
172.9558 |
27.6736 |
20.6034 |
10.7561 |
22.8423 |
24.0097 |
0.0000 |
30.8381 |
192.6679 |
34.8726 |
38.3696 |
82.6682 |
78.8671 |
205.7205 |
10.0724 |
8.2813 |
| 12 | 82.6273 |
64.0757 |
71.5040 |
74.4707 |
214.2747 |
228.4674 |
37.3247 |
24.1882 |
56.1689 |
75.7645 |
75.8199 |
30.8381 |
0.0000 |
40.2195 |
84.3875 |
51.4790 |
101.2486 |
20.5030 |
229.4644 |
28.7685 |
23.1802 |
| 13 | 206.2644 |
223.0066 |
228.0017 |
228.3822 |
249.4809 |
229.5256 |
104.6547 |
93.0749 |
225.6468 |
221.9850 |
222.3376 |
192.6679 |
40.2195 |
0.0000 |
105.1862 |
72.5994 |
109.5197 |
31.6700 |
235.3131 |
72.0909 |
57.4387 |
| 14 | 6.5928 |
1.0963 |
1.0362 |
1.6420 |
196.9190 |
234.7475 |
9.6477 |
4.4066 |
0.9784 |
0.8002 |
0.6208 |
34.8726 |
84.3875 |
105.1862 |
0.0000 |
4.1149 |
5.5839 |
104.5499 |
71.4944 |
0.9781 |
0.9653 |
| 15 | 7.8100 |
4.2700 |
4.1959 |
4.9424 |
124.2275 |
225.6265 |
14.0712 |
10.8639 |
3.8061 |
3.7883 |
3.7685 |
38.3696 |
51.4790 |
72.5994 |
4.1149 |
0.0000 |
9.2193 |
38.4794 |
27.6196 |
4.9331 |
4.6771 |
| 16 | 3.6344 |
9.0020 |
8.5530 |
11.1549 |
110.7213 |
246.2404 |
25.0307 |
28.9248 |
7.7633 |
7.6652 |
7.8234 |
82.6682 |
101.2486 |
109.5197 |
5.5839 |
9.2193 |
0.0000 |
57.6619 |
68.9841 |
13.9955 |
14.8517 |
| 17 | 102.8048 |
86.8004 |
87.3258 |
94.0933 |
195.7378 |
241.1261 |
6.9250 |
2.4820 |
76.8415 |
85.7349 |
86.0415 |
78.8671 |
20.5030 |
31.6700 |
104.5499 |
38.4794 |
57.6619 |
0.0000 |
173.0752 |
2.0879 |
1.9553 |
| 18 | 5.6560 |
87.0629 |
81.3984 |
76.4138 |
50.4403 |
262.5826 |
155.2197 |
165.1615 |
97.4856 |
86.5686 |
84.8158 |
205.7205 |
229.4644 |
235.3131 |
71.4944 |
27.6196 |
68.9841 |
173.0752 |
0.0000 |
82.9321 |
85.8448 |
| 19 | 5.5137 |
1.1494 |
0.8664 |
1.6972 |
170.7451 |
209.8241 |
9.2884 |
3.6640 |
0.3114 |
0.2855 |
0.4436 |
10.0724 |
28.7685 |
72.0909 |
0.9781 |
4.9331 |
13.9955 |
2.0879 |
82.9321 |
0.0000 |
0.3212 |
| 20 | 10.6481 |
1.2357 |
0.9112 |
1.6926 |
173.2699 |
208.4245 |
7.8100 |
3.8710 |
0.2022 |
0.3227 |
0.3537 |
8.2813 |
23.1802 |
57.4387 |
0.9653 |
4.6771 |
14.8517 |
1.9553 |
85.8448 |
0.3212 |
0.0000 |