0 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 5.88545 7.876 9.41935 5.49251 9.84471 6.23015 10.5167 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 4.99125 10.8237 6.23824 8.91183 12.5088 6.61696 5.97274 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 4.99125 10.8237 6.23824 5.69214 7.95042 5.80953 6.46192 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 11.4659 10.8237 6.23824 14.8647 12.5088 6.61696 5.97274 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 11.4659 10.8237 6.23824 5.11636 7.95042 5.80953 6.46192 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.38394 8.60554 12.3994 11.4659 16.0099 6.23824 14.8647 17.9146 6.61696 5.97274 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.38394 8.60554 12.3994 11.4659 16.0099 6.23824 5.11636 10.9819 5.80953 6.46192 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 5.54419 8.4051 5.11617 13.2525 9.40259 6.23824 10.1698 5.68215 6.61696 5.97274 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 5.54419 8.4051 5.11617 13.2525 9.40259 6.23824 13.6174 10.9113 5.80953 6.46192 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 7.36323 8.4051 13.2229 13.2525 18.5567 6.23824 10.1698 17.003 6.61696 5.97274 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 7.36323 8.4051 13.2229 13.2525 18.5567 6.23824 13.6174 16.707 5.80953 6.46192 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 9.902 18.309 8.66571 5.69391 13.6019 7.58875 4.81856 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 8.8178 9.27838 15.434 9.902 18.309 8.66571 5.57624 14.3084 9.52749 6.18636 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 8.8178 9.27838 15.434 9.902 18.309 8.66571 4.03844 12.4827 6.91169 7.37013 numMergedOcc 0
14 mol 72 unq 3 iso 0 dist 9.96708 9.27838 11.6378 9.902 13.6124 8.66571 5.69391 9.55118 7.58875 4.81856 numMergedOcc 0
15 mol 72 unq 4 iso 0 dist 9.96708 9.27838 11.6378 9.902 13.6124 8.66571 5.57624 13.641 9.52749 6.18636 numMergedOcc 0
16 mol 72 unq 5 iso 0 dist 9.96708 9.27838 11.6378 9.902 13.6124 8.66571 4.03844 12.111 6.91169 7.37013 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 7.97049 9.82915 9.29301 12.8706 10.3643 9.35279 11.9064 13.3997 5.05893 9.75167 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 7.97049 9.82915 9.29301 12.8706 10.3643 9.35279 14.7521 14.6517 5.71866 10.8439 numMergedOcc 0
19 mol 85 unq 2 iso 0 dist 7.47541 9.82915 13.5116 12.8706 11.3324 9.35279 11.9064 15.8175 5.05893 9.75167 numMergedOcc 0
20 mol 85 unq 3 iso 0 dist 7.47541 9.82915 13.5116 12.8706 11.3324 9.35279 14.7521 18.2645 5.71866 10.8439 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 8.07089 12.5743 6.84692 4.03277 8.91882 6.59691 8.59989 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 8.07089 8.20656 6.84692 4.03277 10.5432 6.59691 8.59989 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 9.35224 7.01812 10.0456 8.07089 14.6339 6.84692 4.03277 11.5088 6.59691 8.59989 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 12.8256 17.5797 6.84692 6.23008 9.76432 6.59691 8.59989 numMergedOcc 0
25 mol 100 unq 4 iso 0 dist 6.65086 8.30845 5.80144 12.8256 12.5743 6.84692 6.23008 8.91882 6.59691 8.59989 numMergedOcc 0
26 mol 100 unq 5 iso 0 dist 6.56369 8.30845 10.0456 12.8256 14.6339 6.84692 6.23008 11.5088 6.59691 8.59989 numMergedOcc 0
27 mol 100 unq 6 iso 0 dist 9.30209 8.30845 6.70236 12.8256 12.1782 6.84692 6.23008 11.6812 6.59691 8.59989 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.29155 6.16242 4.54648 5.47259 4.51266 6.49688 13.0405 8.77023 8.83732 13.2024 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 6.80239 5.87634 4.54648 4.70102 4.51266 6.49688 13.7612 8.77023 8.83732 13.2024 numMergedOcc 0
30 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 9.77705 10.4619 8.20406 4.78249 9.51256 6.47164 5.40635 numMergedOcc 0
31 mol 170 unq 1 iso 0 dist 9.76807 6.35982 4.34698 5.36359 11.5324 7.19802 4.78249 9.51256 6.47164 6.09207 numMergedOcc 0
32 mol 170 unq 2 iso 0 dist 9.76807 6.35982 4.34698 8.84552 11.7022 7.75807 4.78249 9.51256 6.47164 9.84933 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 5.87996 12.0793 8.91675 6.28125 10.0802 9.06571 6.12433 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 8.03334 6.46704 4.43096 5.87996 12.0793 8.91675 6.50233 9.76212 7.35884 4.46602 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 7.63312 5.9176 5.63555 5.83639 8.47008 6.2176 10.6474 6.64173 8.12266 7.11838 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 7.63312 5.9176 5.63555 5.83639 8.47008 6.2176 5.12833 9.55105 9.43306 5.42919 numMergedOcc 0
37 mol 181 unq 4 iso 0 dist 7.63312 5.9176 5.63555 5.83639 8.47008 6.2176 4.61184 11.7785 8.59681 6.20414 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 13.1319 19.2978 9.38888 13.1872 17.3846 7.77911 4.76962 numMergedOcc 0
39 mol 234 unq 1 iso 0 dist 8.92474 7.32499 4.4288 13.1319 13.6608 9.38888 13.1872 11.3419 7.77911 4.76962 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 5.87456 6.92434 5.0002 16.9539 12.8334 8.60027 12.616 numMergedOcc 0
