0 mol 26 unq 0 iso 0 dist 9.03539 9.97152 15.2843 10.4631 7.22361 17.0486 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.03539 8.74037 10.95 10.4631 7.22361 13.7341 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.61402 8.11293 5.79982 5.45932 7.21995 7.70625 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 7.61402 8.11293 5.79982 8.19237 9.62637 6.01423 numMergedOcc 0
4 mol 45 unq 2 iso 0 dist 8.11293 7.61402 5.79982 5.45932 7.70625 7.21995 numMergedOcc 0
5 mol 45 unq 3 iso 0 dist 8.11293 7.61402 5.79982 8.19237 6.01423 9.62637 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.22513 8.35595 5.67347 4.80291 7.03226 11.1148 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.36397 6.58062 5.06359 4.665 6.72712 5.39745 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.58062 7.36397 5.06359 5.47738 7.1539 10.8245 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 6.58062 7.36397 5.06359 4.665 5.39745 6.72712 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.28362 5.60137 5.2179 6.3353 6.75145 8.1856 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 5.60137 8.28362 5.2179 6.3353 8.1856 6.75145 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.10681 4.69823 7.41037 6.69013 4.25566 6.63171 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.10681 4.69823 7.41037 12.7134 7.31037 12.7865 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 4.69823 8.10681 7.41037 6.69013 6.63171 4.25566 numMergedOcc 0
15 mol 159 unq 0 iso 0 dist 6.68441 8.0059 4.87666 4.02361 6.72852 10.1431 numMergedOcc 0
16 mol 159 unq 1 iso 0 dist 6.68441 8.0059 4.87666 9.90351 8.52082 12.312 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.30874 5.54873 5.3528 6.56225 9.06217 7.13252 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 5.54873 9.30874 5.3528 6.56225 7.13252 9.06217 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 6.52001 9.70659 5.82999 5.65165 9.82588 14.2604 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.418 9.26725 4.85051 4.34105 8.92185 7.7574 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 9.26725 9.418 4.85051 4.34105 7.7574 8.92185 numMergedOcc 0
