0 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 12.0896 6.7846 8.23075 15.461 13.6588 13.5399 8.25818 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 5.48831 13.0773 9.96708 14.1978 10.7434 4.86198 17.1679 14.6356 4.7874 6.79423 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 5.48831 10.5933 9.78528 14.1978 10.7434 6.62699 17.1679 14.6356 10.3016 6.79423 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.29446 11.2307 7.9245 14.0524 5.34874 9.85512 13.5358 7.69072 3.46486 8.42738 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.29446 11.2307 7.9245 10.9234 3.68023 8.97888 9.62606 10.1937 9.6123 8.61143 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 9.29446 11.2307 7.9245 10.9234 3.68023 8.97888 13.5358 7.69072 3.46486 8.79979 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 15.1781 8.18948 8.04242 14.3352 9.90583 8.37717 4.18248 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 13.8486 5.37655 7.02367 13.586 9.59585 13.0914 7.02358 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 9.70016 13.2553 5.86073 7.25771 5.46207 9.30832 6.90365 10.1945 10.2689 9.14336 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 6.23645 6.47836 6.90986 9.82655 6.34182 5.93278 10.5817 9.28256 4.18693 5.86379 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 6.23645 6.47836 6.90986 9.82655 6.34182 5.93278 13.8778 12.9131 7.41059 8.64686 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 6.23645 6.47836 6.90986 10.4156 8.66957 6.19918 10.5817 9.28256 4.18693 6.21029 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 6.23645 6.47836 6.90986 10.4156 8.66957 6.19918 13.8778 12.9131 7.41059 8.16325 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 5.06555 5.61914 6.44653 8.0889 5.61274 7.53694 8.14689 6.42623 3.824 7.84207 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 5.06555 5.61914 6.44653 8.0889 5.61274 7.53694 5.74365 8.95899 4.96885 8.56947 numMergedOcc 0
15 mol 120 unq 2 iso 0 dist 5.06555 5.61914 6.44653 8.34958 3.35803 8.38358 13.2872 10.2878 9.4846 9.31385 numMergedOcc 0
16 mol 120 unq 3 iso 0 dist 5.06555 5.61914 6.44653 8.34958 3.35803 8.38358 8.14689 6.42623 3.824 6.98791 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 14.1304 9.14188 8.99891 11.099 8.64905 6.75249 4.3855 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 7.38315 10.6994 7.32223 16.1173 11.5574 5.77511 19.8226 15.5697 10.0874 8.66299 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.23956 15.6875 9.7748 13.087 7.75371 5.69112 9.7252 4.9764 11.8607 7.98956 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 7.23956 15.6875 9.7748 13.087 7.75371 5.69112 10.5201 6.36559 10.9137 5.86185 numMergedOcc 0
21 mol 277 unq 2 iso 0 dist 7.23956 15.6875 9.7748 13.087 7.75371 5.69112 15.4854 11.5669 5.09884 6.79748 numMergedOcc 0
22 mol 277 unq 3 iso 0 dist 7.23956 15.6875 9.7748 15.8468 11.3546 7.2091 15.4854 11.5669 5.09884 6.53598 numMergedOcc 0
