0 mol 26 unq 0 iso 0 dist 6.85245 9.15677 5.71065 14.1383 10.171 8.44506 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.43571 9.61029 5.71065 9.77186 10.171 8.44506 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.90164 6.6606 6.96386 5.6194 11.4346 7.9814 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.97658 6.9538 5.71534 6.51921 10.6668 7.32289 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.93751 7.65229 6.29923 12.468 14.8658 8.729 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 8.98949 6.38977 7.47571 6.53994 14.4427 8.86329 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 8.98949 9.69757 12.885 6.53994 14.4427 8.71039 numMergedOcc 0
7 mol 131 unq 2 iso 0 dist 8.98949 9.69757 12.885 13.4383 18.8343 6.92648 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 6.26373 4.93984 4.70374 6.31396 12.5392 9.94125 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 8.94308 4.93984 6.05722 6.31396 11.5695 9.94125 numMergedOcc 0
10 mol 167 unq 2 iso 0 dist 9.74227 4.93984 8.90206 6.31396 9.94406 9.94125 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 7.21606 9.25528 9.56466 6.09526 11.2019 6.51749 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 6.9659 9.2521 14.301 6.12311 11.8627 5.64181 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 6.9659 8.51359 15.0149 6.12311 11.8627 7.61393 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 8.09547 7.2527 4.98461 9.87539 11.5772 6.66971 numMergedOcc 0
15 mol 238 unq 3 iso 0 dist 8.09547 7.13194 13.3052 9.87539 11.5772 7.32982 numMergedOcc 0
16 mol 238 unq 4 iso 0 dist 8.66923 9.29203 15.3346 10.4401 12.3408 6.66971 numMergedOcc 0
17 mol 238 unq 5 iso 0 dist 8.66923 7.62771 13.1885 10.4401 12.3408 6.4398 numMergedOcc 0
18 mol 238 unq 6 iso 0 dist 8.66923 7.80166 7.04671 10.4401 12.3408 7.32982 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 7.32876 7.22378 5.38982 4.56307 8.35413 6.70815 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 6.33151 9.04738 12.409 7.71466 13.429 9.29599 numMergedOcc 0
21 mol 271 unq 1 iso 0 dist 6.33151 5.98336 5.08815 6.29514 12.1398 9.63775 numMergedOcc 0
