0 mol 11 unq 0 iso 0 dist 9.19051 8.61333 5.96346 12.7878 6.86684 4.61088 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 4.93136 5.92328 5.96346 8.38501 6.86684 4.61088 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.56785 7.05307 7.07399 11.2432 4.29582 8.38064 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 5.56205 5.35721 6.62144 6.78536 5.39089 4.86568 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 6.48374 11.144 8.51663 13.0134 8.94326 6.19529 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 8.2499 7.02555 7.16773 10.1603 6.63327 8.66265 numMergedOcc 0
6 mol 56 unq 1 iso 0 dist 9.17356 5.14762 7.16773 12.2066 6.63327 8.66265 numMergedOcc 0
7 mol 60 unq 0 iso 0 dist 8.97793 6.34274 9.90939 9.51311 7.04075 8.7531 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 5.98381 15.5162 9.66219 13.2932 8.42718 5.86073 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 8.29914 14.3158 8.8822 14.3861 10.1816 5.86073 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 8.00863 14.3158 9.66219 14.3861 8.42718 5.86073 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 6.66175 7.3338 9.90168 10.4653 7.7567 8.40312 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 6.66175 7.3338 9.90168 7.30166 8.23791 7.12972 numMergedOcc 0
13 mol 131 unq 2 iso 0 dist 6.66175 7.3338 9.90168 9.82508 13.7237 6.85062 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 8.41129 14.2858 7.43071 12.9465 6.00424 9.34734 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 8.41129 14.2858 7.43071 14.465 6.35849 7.22101 numMergedOcc 0
16 mol 227 unq 2 iso 0 dist 8.41129 14.2858 7.43071 18.5919 10.204 8.65997 numMergedOcc 0
17 mol 227 unq 3 iso 0 dist 8.41129 14.2858 7.43071 15.8839 9.76735 7.56888 numMergedOcc 0
18 mol 227 unq 4 iso 0 dist 8.41129 14.2858 7.43071 13.4178 9.32448 7.55216 numMergedOcc 0
19 mol 227 unq 5 iso 0 dist 8.41129 11.6713 6.02296 14.465 6.35849 7.09863 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 9.13483 12.9824 9.05071 10.4932 8.80479 8.27212 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 7.41804 9.95267 9.85289 10.8303 6.20558 7.56915 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 7.41804 9.95267 9.85289 15.9463 11.4459 8.49997 numMergedOcc 0
