0 mol 6 unq 0 iso 0 dist 6.62083 4.89101 6.30562 7.7195 7.96137 3.56565 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 6.88388 5.0047 7.27883 10.6592 9.31883 13.9292 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 6.88388 5.0047 7.27883 9.41925 9.475 12.332 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 6.88388 5.0047 7.27883 6.12307 8.34011 10.6903 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 6.88388 5.0047 7.27883 7.73535 6.29842 7.10408 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 6.19716 6.70013 7.81334 9.88601 6.97741 7.43211 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.1489 4.73724 7.81334 5.7965 6.97741 7.43211 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.65012 7.90331 5.69384 8.04056 8.51933 6.08635 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 7.10351 8.97165 5.69384 6.99991 8.51933 6.08635 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 4.35437 5.41685 7.86269 11.0664 9.08732 12.2776 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.56617 6.20538 5.82501 6.93927 6.4569 5.40104 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 8.57184 7.46946 7.5639 4.15267 9.25342 9.80482 numMergedOcc 0
12 mol 146 unq 0 iso 0 dist 9.47441 10.0156 5.04351 13.7509 8.71836 10.8094 numMergedOcc 0
13 mol 146 unq 1 iso 0 dist 8.72978 6.87502 5.04351 13.8063 8.71836 10.8094 numMergedOcc 0
14 mol 146 unq 2 iso 0 dist 8.956 10.3513 5.04351 5.64529 8.71836 10.8094 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 8.65878 8.6549 6.92225 13.3616 8.06621 10.5886 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 5.01585 8.0029 5.36078 7.24368 9.02222 12.3916 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 8.1139 7.97874 9.86462 10.6236 5.4621 7.57188 numMergedOcc 0
18 mol 218 unq 1 iso 0 dist 8.1139 7.97874 9.86462 13.7842 8.91819 11.3371 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 5.43648 9.08557 5.31079 3.69334 5.37154 6.66492 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 6.65387 9.8491 8.35521 4.33245 9.2182 10.0947 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 5.01762 8.92996 9.43554 10.8025 7.5999 7.81555 numMergedOcc 0
22 mol 250 unq 1 iso 0 dist 5.01762 8.92996 9.43554 9.58034 9.50976 9.41799 numMergedOcc 0
23 mol 250 unq 2 iso 0 dist 5.01762 8.76762 9.21681 10.8025 7.5999 16.7301 numMergedOcc 0
24 mol 250 unq 3 iso 0 dist 5.01762 8.76762 9.21681 9.58034 9.50976 16.2129 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 9.84667 11.9929 8.28871 7.2283 8.78525 9.86659 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 9.84667 14.4117 7.94668 7.2283 8.78525 9.26671 numMergedOcc 0
27 mol 286 unq 0 iso 0 dist 5.7547 7.67959 7.77655 4.74746 7.43339 3.85003 numMergedOcc 0
28 mol 286 unq 1 iso 0 dist 9.56362 10.2708 7.77655 9.43263 7.43339 3.85003 numMergedOcc 0
