0 mol 26 unq 0 iso 0 dist 7.34549 8.82979 7.98005 8.64424 4.52042 8.36742 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.34549 3.63999 8.31381 8.64424 4.52042 8.10028 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.09068 12.3884 7.98005 12.3962 4.52042 8.36742 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.09068 11.7163 8.31381 12.3962 4.52042 8.10028 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 9.72289 15.7944 7.98005 13.407 4.52042 8.36742 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 9.72289 13.5789 8.31381 13.407 4.52042 8.10028 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.47617 14.2755 9.02471 15.4702 9.69698 7.80117 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.47617 14.2755 9.02471 14.166 5.90113 9.79386 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 4.31067 11.3701 7.92856 14.5957 11.8887 5.85622 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 7.55822 4.26914 8.51123 10.3957 8.892 8.0237 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 8.054 10.2953 4.42563 12.7227 7.21898 8.08737 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 9.99727 3.61945 8.111 11.2204 7.35357 8.0933 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 7.94863 5.17954 5.92733 12.0385 10.9365 8.12319 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 7.94863 5.17954 5.92733 7.71664 5.63567 9.04366 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 7.4653 3.75216 8.39897 10.2474 5.65454 8.92048 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 7.95564 3.75216 9.03078 10.2474 9.26637 8.92048 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.71735 6.89357 9.65093 13.4298 8.3612 8.45086 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 7.84536 5.97525 4.67869 12.4454 9.06413 9.5228 numMergedOcc 0
18 mol 196 unq 1 iso 0 dist 7.07723 4.22321 4.67869 8.52655 9.06413 9.5228 numMergedOcc 0
19 mol 196 unq 2 iso 0 dist 6.40064 3.9465 4.67869 12.3416 9.06413 9.5228 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 7.22234 12.1593 8.82761 18.5111 12.6417 8.64187 numMergedOcc 0
21 mol 213 unq 1 iso 0 dist 5.86501 12.8419 8.82761 17.9357 12.6417 8.64187 numMergedOcc 0
22 mol 213 unq 2 iso 0 dist 8.48081 12.1593 4.66576 18.5111 10.3241 8.64187 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 6.51823 5.61713 6.46771 10.3753 7.17967 5.90826 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 6.51823 5.61713 6.46771 11.3171 5.91323 8.75412 numMergedOcc 0
25 mol 257 unq 0 iso 0 dist 8.95261 7.65595 9.6834 10.675 6.64096 8.81508 numMergedOcc 0
26 mol 257 unq 1 iso 0 dist 7.80336 3.41163 9.6834 8.5835 6.64096 8.81508 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 5.89409 3.42654 8.54108 9.71904 11.263 7.7096 numMergedOcc 0
28 mol 265 unq 1 iso 0 dist 7.45719 5.12694 8.54108 12.0329 11.263 7.7096 numMergedOcc 0
