0 mol 44 unq 0 iso 0 dist 7.20409 9.7651 9.96265 5.93729 5.12876 9.70459 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 7.20409 9.7651 9.96265 8.94497 6.85995 7.78905 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 7.20409 9.7651 9.96265 14.7048 11.3037 9.44909 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 5.93729 9.7651 9.70459 7.20409 5.12876 9.96265 numMergedOcc 0
4 mol 44 unq 4 iso 0 dist 5.93729 9.7651 9.70459 8.94497 4.19085 7.78905 numMergedOcc 0
5 mol 44 unq 5 iso 0 dist 5.93729 9.7651 9.70459 14.7048 10.2017 9.44909 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.25884 5.82571 8.04256 13.0992 10.9344 7.51075 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 7.66459 4.31214 9.72689 11.782 14.8895 7.74197 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 6.31509 9.62604 5.9747 6.14782 4.24815 4.50572 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 6.14782 9.62604 4.50572 6.31509 4.24815 5.9747 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.22824 11.4517 9.55556 13.2712 6.22325 9.92932 numMergedOcc 0
11 mol 180 unq 0 iso 0 dist 5.78414 5.31 5.80441 13.1502 12.986 9.88732 numMergedOcc 0
12 mol 180 unq 1 iso 0 dist 5.78414 5.31 5.80441 10.0322 8.49238 5.77949 numMergedOcc 0
13 mol 180 unq 2 iso 0 dist 5.78414 5.31 5.80441 13.5864 11.8501 8.68403 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 9.27825 14.7753 9.878 15.3604 6.40496 9.21149 numMergedOcc 0
15 mol 212 unq 0 iso 0 dist 7.67675 5.19318 5.87223 12.2251 9.449 8.062 numMergedOcc 0
16 mol 212 unq 1 iso 0 dist 7.67675 5.19318 5.87223 12.1291 5.23375 8.70011 numMergedOcc 0
17 mol 212 unq 2 iso 0 dist 7.35349 10.1617 8.062 13.7865 9.449 5.87223 numMergedOcc 0
18 mol 212 unq 3 iso 0 dist 7.35349 10.1617 8.062 12.302 7.17541 8.70011 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 9.60654 5.78711 9.13552 10.9262 3.3846 9.86371 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 5.67249 5.19951 7.46434 12.2496 14.7028 7.50424 numMergedOcc 0
