0 mol 26 unq 0 iso 0 dist 9.43688 7.34549 6.4487 7.23551 10.3478 6.73162 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.64424 7.34549 4.52042 7.23551 10.7269 6.73162 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 8.97337 8.09068 6.4487 4.03252 10.3478 6.73162 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 7.04006 9.72289 6.4487 8.34836 10.3478 6.73162 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 4.22514 6.13476 5.65405 6.2425 8.41365 5.02241 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 5.25083 7.63534 6.71804 4.35757 8.35595 8.97793 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.25083 7.63534 6.71804 6.55474 6.22513 8.19682 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 8.04064 9.89618 16.1433 12.4268 17.8809 8.39016 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.55581 8.94909 14.5299 11.1266 12.3358 7.92688 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 6.36857 9.25604 15.0873 5.5355 11.2054 6.88137 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 6.78431 9.25604 15.6293 5.5355 11.4412 6.88137 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 5.15834 9.09857 9.33911 9.00192 12.5202 8.31897 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 9.81978 7.94593 10.5343 11.0605 9.15536 9.31887 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.99149 9.50454 10.4974 10.9336 11.3352 6.93764 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.99149 7.15963 5.65167 9.09192 12.5367 6.94688 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 8.99149 7.15963 5.65167 12.1848 11.772 6.71012 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.69695 6.20646 5.43761 6.27504 5.37579 5.90931 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 8.18287 6.73266 5.43761 6.67807 5.37579 5.90931 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 9.82428 9.1663 7.02346 11.5478 13.3476 6.68292 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 9.82428 9.1663 7.02346 7.28957 9.347 4.26212 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.24896 6.15754 7.01488 4.48571 11.499 6.25105 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 9.24896 8.9413 7.54044 6.40261 13.0795 9.5707 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 9.24896 8.9413 7.54044 4.48571 11.499 7.85175 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.42047 8.39522 17.8038 10.4124 18.4003 6.91569 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 8.5835 7.80336 6.64096 5.47761 7.48361 7.14834 numMergedOcc 0
25 mol 257 unq 1 iso 0 dist 7.86554 8.95261 12.6476 9.63067 14.9252 7.14834 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 5.80603 6.20344 6.80302 12.9748 14.1263 7.48005 numMergedOcc 0
