0 mol 6 unq 0 iso 0 dist 7.8489 4.94534 9.47965 12.8263 16.4452 9.97675 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.64067 4.58234 6.34078 8.34508 4.97125 9.35329 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 7.83864 11.7733 8.92255 9.38762 4.73293 9.69751 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 7.66459 10.8675 9.4046 12.8494 7.17073 6.41105 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 8.91055 4.77259 9.28585 11.5456 10.156 8.6308 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 9.43472 5.00485 9.33403 12.1896 8.6257 8.30003 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.08733 4.75864 8.39253 10.6043 7.49885 7.26463 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 4.90449 5.09271 8.39253 8.06422 7.49885 7.26463 numMergedOcc 0
8 mol 180 unq 0 iso 0 dist 8.34083 5.12467 8.24157 9.82683 5.76764 6.83301 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 9.67954 14.1502 9.92635 22.0554 15.7519 9.81282 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.39622 6.28015 9.71223 11.8065 13.4102 8.09373 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 7.83389 9.77528 7.252 15.8967 9.99333 7.72242 numMergedOcc 0
12 mol 212 unq 0 iso 0 dist 7.35349 5.75285 7.73701 9.52641 4.95466 6.41916 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 9.48541 4.99178 9.08095 12.4279 9.57515 9.86599 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 6.44877 5.01938 6.2441 10.1372 6.7488 5.98076 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 9.8767 11.387 8.10096 10.5279 12.8829 9.05082 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 6.5095 4.57371 8.89116 8.90779 3.69457 9.60437 numMergedOcc 0
17 mol 243 unq 1 iso 0 dist 5.1766 4.57371 8.28364 8.90779 9.10714 9.60437 numMergedOcc 0
18 mol 243 unq 2 iso 0 dist 9.31969 7.39673 8.28364 12.1721 9.10714 9.60437 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 9.01177 10.4668 8.63848 10.7584 9.75362 7.74647 numMergedOcc 0
