0 mol 8 unq 0 iso 0 dist 8.37509 8.76702 5.7343 4.35292 9.66021 11.6352 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.37509 6.27477 11.3728 4.35292 9.66021 9.97264 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 4.79868 7.95122 5.54966 6.73368 6.17181 11.7089 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 4.79868 9.74268 9.69588 6.73368 6.17181 15.3547 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 8.43908 6.9538 6.89206 15.1202 9.90177 13.2719 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 8.43908 6.9538 6.89206 9.5165 6.87293 7.38759 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 8.43908 9.36111 10.0512 15.1202 9.90177 17.9206 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 8.43908 9.36111 10.0512 9.5165 6.87293 12.383 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 9.35378 6.59361 8.6616 6.82715 7.24538 5.25492 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 7.04929 9.78456 5.10629 5.19829 9.63012 13.1678 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 6.81055 9.7168 12.052 9.82008 8.9755 17.3468 numMergedOcc 0
11 mol 148 unq 1 iso 0 dist 6.81055 9.7168 12.052 7.50382 6.58752 16.4612 numMergedOcc 0
12 mol 148 unq 2 iso 0 dist 6.81055 7.38138 5.2593 9.82008 8.9755 13.5063 numMergedOcc 0
13 mol 148 unq 3 iso 0 dist 6.81055 7.38138 5.2593 7.50382 6.58752 10.69 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 6.77966 9.61132 11.9651 9.83293 9.06573 17.2596 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 6.77966 9.61132 11.9651 7.48524 6.62442 16.3796 numMergedOcc 0
16 mol 150 unq 2 iso 0 dist 6.77966 7.34423 5.1918 9.83293 9.06573 13.5458 numMergedOcc 0
17 mol 150 unq 3 iso 0 dist 6.77966 7.34423 5.1918 7.48524 6.62442 10.6513 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 8.65373 6.01118 12.4317 8.68206 9.83036 13.901 numMergedOcc 0
19 mol 189 unq 0 iso 0 dist 9.22035 9.58744 9.97708 13.7133 7.76062 14.3271 numMergedOcc 0
20 mol 189 unq 1 iso 0 dist 9.22035 9.58744 9.97708 14.1084 8.64309 10.9269 numMergedOcc 0
21 mol 211 unq 0 iso 0 dist 6.32818 9.82765 7.22929 4.19883 9.64564 10.546 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 7.70035 8.74123 6.94141 10.7067 8.73468 14.3061 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 4.58449 7.96424 10.7787 6.28659 8.44603 11.7013 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 4.58449 5.40366 5.78532 6.28659 8.44603 11.4205 numMergedOcc 0
25 mol 220 unq 2 iso 0 dist 4.58449 8.93637 6.24624 6.28659 8.44603 14.2257 numMergedOcc 0
26 mol 224 unq 0 iso 0 dist 7.73616 7.69537 7.85135 10.2122 9.79842 12.3897 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 7.70069 9.04738 5.33191 8.87398 7.84542 11.3204 numMergedOcc 0
28 mol 271 unq 1 iso 0 dist 7.70069 8.68046 7.51599 8.87398 7.84542 13.4708 numMergedOcc 0
29 mol 271 unq 2 iso 0 dist 7.70069 5.98336 5.72209 8.87398 7.84542 7.2671 numMergedOcc 0
30 mol 271 unq 3 iso 0 dist 7.70069 9.67453 14.8116 8.87398 7.84542 16.4966 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 8.80158 8.84268 10.8985 15.2274 9.68579 20.2444 numMergedOcc 0
32 mol 294 unq 1 iso 0 dist 8.80158 8.84268 10.8985 13.0841 8.60714 13.5972 numMergedOcc 0
