0 mol 10 unq 0 iso 0 dist 9.09758 5.00399 5.66059 6.55806 5.59965 6.77258 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.54052 7.18196 9.20373 11.754 9.17082 17.3249 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.2958 10.8938 4.73362 14.0749 8.95905 4.72225 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 9.2958 15.0549 7.3795 14.0749 8.95905 8.81518 numMergedOcc 0
4 mol 125 unq 0 iso 0 dist 5.05869 6.57549 8.2793 4.18419 6.11502 6.27138 numMergedOcc 0
5 mol 125 unq 1 iso 0 dist 5.05869 6.57549 8.2793 7.15048 6.33431 5.61158 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 6.93424 7.47861 7.38183 12.0582 6.75376 14.0112 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 6.29351 6.05606 6.00295 5.57422 5.41575 5.309 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 6.29351 6.05606 6.00295 10.4496 6.86566 6.07262 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 8.83185 11.2519 5.25309 13.1684 9.92471 5.1007 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 9.0234 8.22885 5.25309 12.116 9.92471 5.1007 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 8.6938 7.4224 9.70629 9.81916 8.26288 14.1553 numMergedOcc 0
12 mol 192 unq 1 iso 0 dist 7.50854 11.3218 9.70629 6.8017 8.26288 14.1553 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 7.71806 7.59741 9.819 12.1101 6.1886 14.3175 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 8.22952 11.1522 6.82883 7.04199 5.70795 4.97624 numMergedOcc 0
15 mol 226 unq 1 iso 0 dist 8.22952 4.8749 8.22518 7.04199 5.70795 5.55393 numMergedOcc 0
16 mol 226 unq 2 iso 0 dist 8.22952 6.81662 6.02803 7.04199 5.70795 9.35407 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 9.28249 14.7051 5.60146 15.877 7.95359 6.44798 numMergedOcc 0
18 mol 244 unq 1 iso 0 dist 9.28249 14.7051 5.60146 6.12937 6.22122 11.4169 numMergedOcc 0
19 mol 244 unq 2 iso 0 dist 9.28249 15.2414 9.80249 15.877 7.95359 13.543 numMergedOcc 0
20 mol 244 unq 3 iso 0 dist 9.28249 15.2414 9.80249 6.12937 6.22122 12.7037 numMergedOcc 0
