0 mol 46 unq 0 iso 0 dist 8.37969 8.23958 9.45756 10.9204 9.26597 3.77542 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 8.37969 8.23958 9.45756 11.05 4.60014 9.97314 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 7.09258 10.7286 6.62699 16.5354 10.3016 6.79423 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 9.34456 16.2029 9.59585 9.27028 5.37655 7.02358 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 9.80191 10.3632 8.99912 6.38269 6.54263 4.49669 numMergedOcc 0
5 mol 113 unq 2 iso 0 dist 9.80191 10.3632 8.99912 7.11196 3.92558 5.88896 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 6.97244 11.3762 7.78789 5.56913 4.46691 9.02015 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 9.41521 5.79975 6.42623 8.31527 5.61274 7.84207 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 9.41521 5.79975 6.42623 7.64841 3.35803 6.98791 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 9.41521 12.8646 8.95899 8.31527 5.61274 8.56947 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 7.53748 4.18108 5.6125 9.57924 6.57536 5.86767 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 7.53748 4.18108 5.6125 8.47439 4.07587 5.28353 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 6.20985 3.98361 5.90765 9.64262 12.1883 7.25595 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 6.20985 3.98361 5.90765 11.6459 6.89146 9.94825 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 7.69466 6.15845 5.90765 12.645 12.1883 7.25595 numMergedOcc 0
15 mol 186 unq 3 iso 0 dist 7.69466 6.15845 5.90765 14.2 6.89146 9.94825 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 7.96375 11.0465 9.76973 14.6286 10.4312 7.38825 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.73858 5.61065 4.43499 10.4743 4.61469 6.09626 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 8.82941 7.79913 9.29666 15.2368 14.5358 7.80711 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 8.82941 7.79913 9.29666 14.5995 18.7228 9.9965 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.86014 9.69757 4.9764 7.34927 7.75371 7.98956 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 6.86014 10.2113 6.36559 7.34927 7.75371 5.86185 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 5.97073 7.55695 4.9764 7.54315 7.75371 7.98956 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 5.97073 6.26644 6.36559 7.54315 7.75371 5.86185 numMergedOcc 0
24 mol 277 unq 4 iso 0 dist 8.23147 5.00704 7.42932 10.0835 14.2348 7.98956 numMergedOcc 0
25 mol 277 unq 5 iso 0 dist 6.49176 5.00704 4.9764 10.0835 7.75371 7.98956 numMergedOcc 0
26 mol 277 unq 6 iso 0 dist 6.49176 5.23954 6.36559 10.0835 7.75371 5.86185 numMergedOcc 0
27 mol 277 unq 7 iso 0 dist 8.20217 10.4891 7.42932 17.0526 14.2348 7.98956 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 6.87804 10.8521 4.49592 12.5048 7.22011 8.07775 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 6.07571 4.34603 4.49592 4.97488 7.22011 8.07775 numMergedOcc 0
