0 mol 5 unq 0 iso 0 dist 9.58876 5.03696 8.85818 9.15889 7.56866 5.14101 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.92586 6.58577 6.3224 10.9576 6.93011 4.69724 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 7.92586 6.58577 6.3224 11.3383 9.71995 8.94823 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 7.92586 9.87894 9.27329 10.9576 6.93011 5.23306 numMergedOcc 0
4 mol 30 unq 3 iso 0 dist 7.92586 9.87894 9.27329 11.3383 9.71995 6.94589 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 8.33405 9.13428 7.96096 9.69296 6.42443 5.94709 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 8.33405 5.59796 7.63277 9.69296 6.42443 6.26121 numMergedOcc 0
7 mol 63 unq 2 iso 0 dist 8.33405 9.24278 6.29504 9.69296 6.42443 12.0646 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 6.90456 11.7777 8.62297 14.7066 9.58166 4.4217 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 8.14525 6.92973 8.62297 10.7544 9.58166 4.4217 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 6.4119 10.563 9.53873 10.1777 6.81144 13.7708 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 8.40522 14.2149 9.53873 4.99169 6.81144 13.7708 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 8.15587 9.08523 9.85336 11.7954 8.98633 9.47615 numMergedOcc 0
13 mol 230 unq 0 iso 0 dist 8.32382 7.07946 6.43155 11.7031 7.51295 4.84277 numMergedOcc 0
14 mol 230 unq 1 iso 0 dist 8.32382 7.07946 6.43155 11.2024 9.73038 8.85934 numMergedOcc 0
15 mol 230 unq 2 iso 0 dist 8.32382 10.1762 9.46646 11.7031 7.51295 5.11577 numMergedOcc 0
16 mol 230 unq 3 iso 0 dist 8.32382 10.1762 9.46646 11.2024 9.73038 6.72784 numMergedOcc 0
17 mol 270 unq 0 iso 0 dist 7.96508 10.7105 7.70593 12.9818 9.47295 12.1238 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 7.73997 8.87182 5.04543 6.24277 6.40861 10.0826 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 7.73997 5.69851 8.99501 6.24277 6.40861 11.0062 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 7.5689 9.71694 5.70591 5.56772 6.62682 11.0397 numMergedOcc 0
