0 mol 1 unq 0 iso 0 dist 8.40848 8.7275 5.06184 6.03793 7.90928 5.96833 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 9.72287 8.12626 9.15052 7.08244 6.72151 11.8536 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.16558 6.89527 3.77705 4.39526 5.70192 8.96498 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 9.62459 6.89527 7.64337 4.39526 7.65646 8.96498 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 6.12404 9.26505 8.29196 5.26498 5.58063 7.65255 numMergedOcc 0
5 mol 147 unq 0 iso 0 dist 5.70772 8.73613 11.5768 6.73253 9.8769 14.5786 numMergedOcc 0
6 mol 147 unq 1 iso 0 dist 8.93916 8.10157 16.3583 13.0045 9.8769 20.8657 numMergedOcc 0
7 mol 173 unq 0 iso 0 dist 7.76856 5.82174 9.35913 10.6378 9.32452 15.6918 numMergedOcc 0
8 mol 173 unq 1 iso 0 dist 7.76856 5.82174 9.35913 9.00192 9.56248 6.52508 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 8.63713 9.19831 5.76612 9.09192 9.20477 12.6052 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 8.63713 9.19831 5.76612 12.1848 7.90237 12.7471 numMergedOcc 0
11 mol 183 unq 0 iso 0 dist 8.53483 9.3066 12.2415 6.93732 7.42108 10.9213 numMergedOcc 0
12 mol 269 unq 0 iso 0 dist 9.48928 8.68799 3.70752 6.45659 9.78238 11.2865 numMergedOcc 0
13 mol 294 unq 0 iso 0 dist 8.74181 8.26112 8.1652 4.83248 7.12793 10.5402 numMergedOcc 0
14 mol 294 unq 1 iso 0 dist 8.96987 8.26112 9.42294 4.83248 6.21208 10.5402 numMergedOcc 0
