0 mol 8 unq 0 iso 0 dist 5.89089 8.14585 4.94497 8.10061 6.56356 11.4997 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 9.48388 9.66226 7.28361 4.54306 7.78931 9.25444 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 9.48388 9.66226 7.28361 10.9661 8.7497 9.84703 numMergedOcc 0
3 mol 123 unq 0 iso 0 dist 7.89237 5.98534 4.43119 7.48885 9.91773 10.7508 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 6.1421 7.98622 4.92472 3.82645 6.69691 10.0995 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 6.1421 7.98622 4.92472 5.75588 5.51197 6.34626 numMergedOcc 0
6 mol 129 unq 2 iso 0 dist 6.1421 7.98622 4.92472 4.18263 8.86944 11.4468 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.45717 8.21272 17.6269 5.815 9.05342 12.2079 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 6.20985 9.56023 8.98536 5.74845 8.73533 12.7579 numMergedOcc 0
9 mol 225 unq 0 iso 0 dist 9.30186 6.27438 8.32583 6.38826 8.1945 10.7064 numMergedOcc 0
10 mol 232 unq 0 iso 0 dist 6.94983 8.70651 4.9377 7.30782 6.71524 9.9183 numMergedOcc 0
11 mol 233 unq 0 iso 0 dist 4.94074 5.83278 5.01307 7.83075 8.51625 11.7751 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 7.17987 8.88567 10.998 12.4759 7.81215 14.1037 numMergedOcc 0
13 mol 234 unq 1 iso 0 dist 7.17987 9.45787 10.0059 12.4759 7.81215 7.77911 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 5.57621 5.50061 4.90279 6.31237 7.95042 10.8022 numMergedOcc 0
15 mol 241 unq 1 iso 0 dist 8.28853 9.08025 4.90279 9.3302 7.95042 10.8022 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 9.13483 9.5789 10.8766 6.16483 6.34915 13.2103 numMergedOcc 0
17 mol 257 unq 1 iso 0 dist 6.44188 9.5789 5.754 6.16483 7.81897 13.2103 numMergedOcc 0
18 mol 257 unq 2 iso 0 dist 5.16581 9.34175 10.8766 5.48725 6.34915 13.2103 numMergedOcc 0
19 mol 257 unq 3 iso 0 dist 5.13633 9.34175 5.754 5.48725 7.81897 13.2103 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 8.23147 9.76241 4.37645 6.40883 5.46926 9.26157 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 8.23147 9.76241 4.37645 6.79352 5.13913 9.11117 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 6.49176 9.76241 7.70529 11.7592 9.35539 12.9467 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 6.49176 9.76241 7.70529 6.40883 8.9682 9.26157 numMergedOcc 0
24 mol 277 unq 4 iso 0 dist 6.49176 9.76241 7.70529 6.79352 6.92711 9.11117 numMergedOcc 0
25 mol 277 unq 5 iso 0 dist 5.22392 9.17672 6.28695 6.68571 9.57499 9.26157 numMergedOcc 0
26 mol 277 unq 6 iso 0 dist 8.20217 9.17672 4.37645 6.68571 5.46926 9.26157 numMergedOcc 0
27 mol 277 unq 7 iso 0 dist 8.20217 9.17672 4.37645 9.44642 5.13913 9.11117 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 6.02089 5.54272 4.95054 6.38012 9.90967 10.8369 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 6.02089 5.54272 4.95054 6.03672 9.9886 11.0147 numMergedOcc 0
30 mol 292 unq 2 iso 0 dist 6.87804 5.54272 8.83082 4.77692 7.20674 8.62162 numMergedOcc 0
31 mol 292 unq 3 iso 0 dist 6.87804 5.54272 8.83082 6.38012 8.38121 10.8369 numMergedOcc 0
