0 mol 28 unq 0 iso 0 dist 6.53312 6.62508 7.77448 7.88348 12.3556 9.3223 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.9948 9.77719 7.77448 8.72422 12.3556 9.3223 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 9.88556 9.06787 7.7687 12.2544 13.0542 5.40748 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 7.18358 7.56 3.80156 8.97165 7.74131 8.59739 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 7.66459 9.54537 10.0429 14.7235 17.4427 9.44737 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 7.80661 6.31404 10.7383 9.27523 10.5019 5.56446 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 8.80094 8.65328 6.97182 9.52243 13.3994 9.23064 numMergedOcc 0
7 mol 168 unq 1 iso 0 dist 9.03681 8.65328 16.9458 9.52243 16.141 9.23064 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 8.30819 5.98495 9.74745 7.0159 8.59783 6.76574 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 7.83389 7.1329 3.81315 5.42437 7.95713 8.8637 numMergedOcc 0
10 mol 197 unq 0 iso 0 dist 8.05227 5.65314 10.9673 4.92187 11.0833 6.90791 numMergedOcc 0
11 mol 225 unq 0 iso 0 dist 9.60654 9.48525 16.0311 13.2026 16.7559 9.49163 numMergedOcc 0
12 mol 225 unq 1 iso 0 dist 9.60654 9.48525 16.0311 10.8267 13.0491 9.99149 numMergedOcc 0
13 mol 225 unq 2 iso 0 dist 7.11262 9.48525 6.04066 13.2026 10.6944 9.49163 numMergedOcc 0
14 mol 225 unq 3 iso 0 dist 7.11262 9.48525 6.04066 10.8267 8.99496 9.99149 numMergedOcc 0
15 mol 233 unq 0 iso 0 dist 7.09902 7.79426 3.98113 6.03685 7.74693 5.76164 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 8.79012 8.52702 17.1277 11.113 18.2499 7.27503 numMergedOcc 0
