0 mol 24 unq 0 iso 0 dist 6.6219 8.23075 10.1923 13.5399 17.7547 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.68215 8.23075 9.24731 13.5399 13.302 8.25818 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.17838 7.15542 3.3785 3.63758 11.3818 8.65524 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.17838 7.15542 3.3785 6.88863 11.456 8.22812 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.17838 8.89047 9.71725 3.63758 11.3818 8.96151 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 9.17838 8.89047 9.71725 6.88863 11.456 4.22002 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 9.17838 8.89003 7.56478 3.63758 11.3818 9.02535 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 9.17838 8.89003 7.56478 6.88863 11.456 5.77855 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.74228 8.26541 4.38233 6.78054 10.6615 6.79423 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 7.12321 4.86198 4.38233 4.7874 10.6615 6.79423 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 6.21799 6.62699 4.38233 10.3016 10.6615 6.79423 numMergedOcc 0
11 mol 72 unq 3 iso 0 dist 5.03251 6.62699 5.62585 10.3016 11.9265 6.79423 numMergedOcc 0
12 mol 72 unq 4 iso 0 dist 9.56773 8.98867 5.62585 9.35725 11.9265 6.79423 numMergedOcc 0
13 mol 72 unq 5 iso 0 dist 7.66093 6.62699 9.84528 10.3016 15.8178 6.79423 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 7.7068 8.04242 11.1225 8.37717 13.4949 4.18248 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 8.80934 7.02367 3.52445 13.0914 4.30875 7.02358 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 8.80934 9.30832 10.4701 10.2689 12.6114 9.14336 numMergedOcc 0
17 mol 116 unq 0 iso 0 dist 8.28795 8.51123 6.51576 5.49724 9.87354 6.55227 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 6.00603 4.42563 3.17342 6.34716 11.4057 8.565 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 7.36975 8.99891 14.4074 6.75249 11.7801 4.3855 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 5.37047 8.64905 10.4448 9.14188 12.5751 4.3855 numMergedOcc 0
21 mol 143 unq 2 iso 0 dist 5.40637 8.99891 5.94217 6.75249 6.60366 4.3855 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.73533 5.90765 3.60793 12.1883 8.17928 7.25595 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 8.73533 5.90765 3.60793 6.89146 13.2028 9.94825 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 8.21793 8.82761 14.4808 4.67313 9.02881 9.71831 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 8.22569 9.09354 10.3403 3.62097 10.8822 7.93317 numMergedOcc 0
26 mol 213 unq 2 iso 0 dist 8.22569 4.66576 5.45331 7.49785 13.1965 9.71831 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 9.35539 4.9764 13.2853 7.75371 10.9065 7.98956 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 9.35539 6.36559 12.4985 7.75371 10.9065 5.86185 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 5.46926 7.42932 5.9732 14.2348 13.9096 7.98956 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 8.9682 4.9764 5.9732 7.75371 13.9096 7.98956 numMergedOcc 0
31 mol 277 unq 4 iso 0 dist 8.9682 6.36559 8.61922 7.75371 13.9096 5.86185 numMergedOcc 0
32 mol 277 unq 5 iso 0 dist 5.13913 7.42932 3.79766 14.2348 11.5963 7.98956 numMergedOcc 0
33 mol 277 unq 6 iso 0 dist 6.92711 4.9764 3.79766 7.75371 11.5963 7.98956 numMergedOcc 0
34 mol 277 unq 7 iso 0 dist 6.92711 6.36559 7.07613 7.75371 11.5963 5.86185 numMergedOcc 0
35 mol 287 unq 0 iso 0 dist 7.45616 5.30118 3.66473 3.65199 4.93516 4.68668 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 7.45616 5.30118 3.66473 3.65199 4.93516 4.68668 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 7.45616 5.30118 3.66473 3.65199 4.93516 4.68668 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 7.20674 4.49592 9.42231 7.22011 13.6757 8.07775 numMergedOcc 0
39 mol 292 unq 1 iso 0 dist 8.38121 4.49592 11.9106 7.22011 14.0481 8.07775 numMergedOcc 0
