0 mol 10 unq 0 iso 0 dist 7.57901 9.05199 8.44864 7.97737 7.8329 10.0703 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.01993 14.7592 8.99751 16.0115 9.82851 3.30063 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.01993 15.6317 9.30674 16.0115 9.82851 6.79894 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.01993 14.4804 8.25567 16.0115 9.82851 10.8557 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 8.49444 4.77108 9.66068 6.04365 7.40338 3.74516 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 5.55446 6.61244 5.37302 3.71942 5.35711 3.77247 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 5.55446 6.61244 5.37302 6.04365 6.23759 7.1034 numMergedOcc 0
7 mol 113 unq 3 iso 0 dist 5.55446 4.77108 8.03783 3.71942 5.35711 7.4003 numMergedOcc 0
8 mol 113 unq 4 iso 0 dist 5.55446 4.77108 8.03783 6.04365 6.23759 3.74516 numMergedOcc 0
9 mol 113 unq 5 iso 0 dist 5.55446 4.80164 8.47541 3.71942 5.35711 7.80142 numMergedOcc 0
10 mol 113 unq 6 iso 0 dist 5.55446 4.80164 8.47541 6.04365 6.23759 9.72813 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 4.89256 4.9915 6.03154 5.43682 7.4442 4.62046 numMergedOcc 0
12 mol 135 unq 0 iso 0 dist 5.95344 8.06979 5.43728 5.87899 8.72359 11.2315 numMergedOcc 0
13 mol 135 unq 1 iso 0 dist 5.95344 8.06979 5.43728 10.9982 7.02963 3.47015 numMergedOcc 0
14 mol 135 unq 2 iso 0 dist 7.8687 6.64028 5.43728 11.0453 8.72359 11.2315 numMergedOcc 0
15 mol 135 unq 3 iso 0 dist 7.8687 6.64028 5.43728 8.95563 7.02963 3.47015 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 5.53978 8.73594 7.6793 11.4948 6.90583 7.06015 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 5.53978 8.73594 7.6793 4.98187 6.75593 6 numMergedOcc 0
18 mol 141 unq 2 iso 0 dist 5.53978 8.73594 7.6793 5.97063 8.83562 8.90391 numMergedOcc 0
19 mol 146 unq 0 iso 0 dist 6.4477 9.75979 7.13378 9.05929 5.95148 4.74818 numMergedOcc 0
20 mol 146 unq 1 iso 0 dist 7.92203 9.5782 7.13378 6.43443 5.95148 4.74818 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 5.77897 6.54652 5.51388 3.61063 5.41121 3.89732 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 5.77897 6.54652 5.51388 6.399 6.35799 7.16323 numMergedOcc 0
23 mol 169 unq 2 iso 0 dist 5.77897 5.13324 8.17917 3.61063 5.41121 7.68348 numMergedOcc 0
24 mol 169 unq 3 iso 0 dist 5.77897 5.13324 8.17917 6.399 6.35799 3.69097 numMergedOcc 0
25 mol 169 unq 4 iso 0 dist 5.77897 4.85063 8.68909 3.61063 5.41121 7.61664 numMergedOcc 0
26 mol 169 unq 5 iso 0 dist 5.77897 4.85063 8.68909 6.399 6.35799 10.1079 numMergedOcc 0
27 mol 169 unq 6 iso 0 dist 9.71763 14.3008 5.51388 12.9917 5.41121 3.89732 numMergedOcc 0
28 mol 169 unq 7 iso 0 dist 9.71763 14.3008 5.51388 15.445 6.35799 7.16323 numMergedOcc 0
29 mol 169 unq 8 iso 0 dist 9.71763 16.5605 8.17917 12.9917 5.41121 7.68348 numMergedOcc 0
30 mol 169 unq 9 iso 0 dist 9.71763 16.5605 8.17917 15.445 6.35799 3.69097 numMergedOcc 0
31 mol 169 unq 10 iso 0 dist 9.71763 12.1929 8.68909 12.9917 5.41121 7.61664 numMergedOcc 0
32 mol 169 unq 11 iso 0 dist 9.71763 12.1929 8.68909 15.445 6.35799 10.1079 numMergedOcc 0
33 mol 184 unq 0 iso 0 dist 6.71675 3.76321 8.95598 9.24858 7.02762 9.10254 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 6.90717 9.34391 8.7085 6.35783 9.06389 5.00761 numMergedOcc 0
35 mol 260 unq 0 iso 0 dist 4.76698 9.30964 5.68717 9.77348 6.49413 3.48905 numMergedOcc 0
36 mol 260 unq 1 iso 0 dist 4.76698 9.30964 5.68717 8.11438 6.12343 3.43711 numMergedOcc 0
37 mol 260 unq 2 iso 0 dist 4.76698 9.30964 5.68717 3.43932 4.52405 8.84611 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 8.25538 4.91435 8.42076 12.1947 7.99204 9.03098 numMergedOcc 0
39 mol 288 unq 0 iso 0 dist 8.25538 4.91435 8.42076 12.1947 7.99204 9.03098 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 8.25538 4.91435 8.42076 12.1947 7.99204 9.03098 numMergedOcc 0
