0 mol 18 unq 0 iso 0 dist 7.23594 5.16057 10.8911 9.91539 12.5568 7.14173 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 8.28463 9.11084 12.8759 11.3613 16.9919 6.68662 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 8.05598 7.38433 6.97061 5.71189 7.34019 8.88147 numMergedOcc 0
3 mol 36 unq 1 iso 0 dist 7.34019 8.88147 6.97061 5.71189 8.05598 7.38433 numMergedOcc 0
4 mol 36 unq 2 iso 0 dist 8.43828 8.88147 12.6598 5.71189 13.5069 7.38433 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 8.59022 8.13585 7.57101 5.55889 8.54284 9.84064 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 8.59022 8.44721 11.6099 5.55889 8.54284 5.31062 numMergedOcc 0
7 mol 44 unq 2 iso 0 dist 8.54284 9.84064 7.57101 5.55889 8.59022 8.13585 numMergedOcc 0
8 mol 44 unq 3 iso 0 dist 8.54284 5.31062 11.6099 5.55889 8.59022 8.44721 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 8.24879 6.13256 7.78921 12.2267 16.9461 9.38103 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 7.80757 6.88471 5.40759 10.2326 5.02591 7.74797 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 7.80757 6.88471 5.40759 5.45378 11.3959 8.19547 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 5.5849 6.88471 5.08718 10.2326 11.3317 7.74797 numMergedOcc 0
13 mol 78 unq 3 iso 0 dist 5.5849 6.88471 5.08718 5.45378 8.75605 8.19547 numMergedOcc 0
14 mol 78 unq 4 iso 0 dist 5.02591 7.74797 5.40759 10.2326 7.80757 6.88471 numMergedOcc 0
15 mol 78 unq 5 iso 0 dist 5.02591 7.74797 5.40759 12.223 11.3959 8.19547 numMergedOcc 0
16 mol 78 unq 6 iso 0 dist 8.75605 8.19547 5.08718 5.45378 5.5849 6.88471 numMergedOcc 0
17 mol 78 unq 7 iso 0 dist 8.75605 8.19547 5.08718 12.223 11.3317 7.74797 numMergedOcc 0
18 mol 91 unq 0 iso 0 dist 7.28711 5.21227 6.76794 7.06119 11.1404 5.73003 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 9.91446 9.74416 3.94305 5.0211 9.4618 9.64454 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 9.26343 9.74416 12.3721 5.0211 13.8622 9.64454 numMergedOcc 0
21 mol 123 unq 0 iso 0 dist 8.87148 9.43033 9.43434 5.33782 9.26057 9.93167 numMergedOcc 0
22 mol 123 unq 1 iso 0 dist 9.26057 9.93167 9.43434 5.33782 8.87148 9.43033 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 9.54236 5.98984 4.09369 4.18061 11.8719 8.98905 numMergedOcc 0
24 mol 272 unq 1 iso 0 dist 9.54236 4.90884 6.96015 4.18061 11.8719 6.31909 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 7.92491 5.34771 6.79513 4.80485 11.1148 9.40332 numMergedOcc 0
26 mol 283 unq 1 iso 0 dist 7.92491 9.2825 11.9095 4.80485 11.1148 5.8676 numMergedOcc 0
