# Details of computing
0: CYSTBR.cif
1: CYSTBR01.cif
2: CYSTBR02.cif
3: CYSTCL.cif
4: CYSTCL01.cif
5: CYSTCL02.cif
6: CYSTCL03.cif
8: LCYSCC.cif
9: LCYSTI10.cif
10: LCYSTI11.cif
11: LCYSTI12.cif
12: LCYSTI13.cif
13: LCYSTI14.cif
14: LCYSTI15.cif
15: LCYSTI16.cif
16: LCYSTI17.cif
17: LCYSTI18.cif
18: LCYSTI19.cif
-------------------------------------
| | 0 | 1 | 2 | 3 | 4 | 5 | 6 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 |
| 0 | 0.0000 |
0.1328 |
0.1186 |
11.6933 |
11.6848 |
11.6660 |
11.6219 |
20.6158 |
20.2761 |
30.1769 |
20.4049 |
20.3745 |
20.3892 |
20.3048 |
20.3491 |
20.4329 |
20.5113 |
20.6076 |
| 1 | 0.1328 |
0.0000 |
0.0415 |
11.7187 |
11.7081 |
11.6968 |
11.6516 |
20.2291 |
20.6202 |
29.9743 |
20.7463 |
20.7147 |
20.7300 |
20.6485 |
20.6901 |
20.7743 |
20.8540 |
20.9504 |
| 2 | 0.1186 |
0.0415 |
0.0000 |
11.6626 |
11.6510 |
11.6376 |
11.5923 |
19.5003 |
20.4967 |
29.2288 |
20.6214 |
20.5898 |
20.6051 |
20.5246 |
20.5662 |
20.6487 |
20.7273 |
20.8237 |
| 3 | 11.6933 |
11.7187 |
11.6626 |
0.0000 |
0.0229 |
0.0252 |
0.0949 |
35.9559 |
19.0264 |
32.9855 |
19.2243 |
19.1872 |
19.2063 |
19.0924 |
19.1333 |
19.3236 |
19.4798 |
19.7897 |
| 4 | 11.6848 |
11.7081 |
11.6510 |
0.0229 |
0.0000 |
0.0247 |
0.0831 |
35.6202 |
18.8806 |
32.6659 |
19.0795 |
19.0424 |
19.0614 |
18.9469 |
18.9872 |
19.1791 |
19.3361 |
19.6485 |
| 5 | 11.6660 |
11.6968 |
11.6376 |
0.0252 |
0.0247 |
0.0000 |
0.0761 |
35.4626 |
18.8252 |
32.5373 |
19.0246 |
18.9876 |
19.0066 |
18.8924 |
18.9332 |
19.1249 |
19.2820 |
19.5954 |
| 6 | 11.6219 |
11.6516 |
11.5923 |
0.0949 |
0.0831 |
0.0761 |
0.0000 |
35.5461 |
18.7924 |
32.6382 |
19.0056 |
18.9682 |
18.9876 |
18.8662 |
18.9092 |
19.1036 |
19.2577 |
19.5677 |
| 8 | 20.6158 |
20.2291 |
19.5003 |
35.9559 |
35.6202 |
35.4626 |
35.5461 |
0.0000 |
27.8099 |
30.0494 |
27.7855 |
27.7945 |
27.7907 |
27.7463 |
27.8319 |
27.6194 |
27.4754 |
26.9030 |
| 9 | 20.2761 |
20.6202 |
20.4967 |
19.0264 |
18.8806 |
18.8252 |
18.7924 |
27.8099 |
0.0000 |
23.1920 |
0.0637 |
0.0618 |
0.0635 |
0.0299 |
0.0506 |
0.1676 |
0.2764 |
0.4202 |
| 10 | 30.1769 |
29.9743 |
29.2288 |
32.9855 |
32.6659 |
32.5373 |
32.6382 |
30.0494 |
23.1920 |
0.0000 |
20.1779 |
20.1712 |
20.1736 |
20.1725 |
20.2429 |
20.0383 |
19.8960 |
19.3465 |
| 11 | 20.4049 |
20.7463 |
20.6214 |
19.2243 |
19.0795 |
19.0246 |
19.0056 |
27.7855 |
0.0637 |
20.1779 |
0.0000 |
0.0037 |
0.0018 |
0.0365 |
0.0331 |
0.1098 |
0.2123 |
0.3498 |
| 12 | 20.3745 |
20.7147 |
20.5898 |
19.1872 |
19.0424 |
18.9876 |
18.9682 |
27.7945 |
0.0618 |
20.1712 |
0.0037 |
0.0000 |
0.0023 |
0.0345 |
0.0301 |
0.1115 |
0.2144 |
0.3524 |
| 13 | 20.3892 |
20.7300 |
20.6051 |
19.2063 |
19.0614 |
19.0066 |
18.9876 |
27.7907 |
0.0635 |
20.1736 |
0.0018 |
0.0023 |
0.0000 |
0.0363 |
0.0321 |
0.1101 |
0.2127 |
0.3504 |
| 14 | 20.3048 |
20.6485 |
20.5246 |
19.0924 |
18.9469 |
18.8924 |
18.8662 |
27.7463 |
0.0299 |
20.1725 |
0.0365 |
0.0345 |
0.0363 |
0.0000 |
0.0279 |
0.1391 |
0.2443 |
0.3836 |
| 15 | 20.3491 |
20.6901 |
20.5662 |
19.1333 |
18.9872 |
18.9332 |
18.9092 |
27.8319 |
0.0506 |
20.2429 |
0.0331 |
0.0301 |
0.0321 |
0.0279 |
0.0000 |
0.1200 |
0.2256 |
0.3654 |
| 16 | 20.4329 |
20.7743 |
20.6487 |
19.3236 |
19.1791 |
19.1249 |
19.1036 |
27.6194 |
0.1676 |
20.0383 |
0.1098 |
0.1115 |
0.1101 |
0.1391 |
0.1200 |
0.0000 |
0.0918 |
0.2155 |
| 17 | 20.5113 |
20.8540 |
20.7273 |
19.4798 |
19.3361 |
19.2820 |
19.2577 |
27.4754 |
0.2764 |
19.8960 |
0.2123 |
0.2144 |
0.2127 |
0.2443 |
0.2256 |
0.0918 |
0.0000 |
0.1110 |
| 18 | 20.6076 |
20.9504 |
20.8237 |
19.7897 |
19.6485 |
19.5954 |
19.5677 |
26.9030 |
0.4202 |
19.3465 |
0.3498 |
0.3524 |
0.3504 |
0.3836 |
0.3654 |
0.2155 |
0.1110 |
0.0000 |