0 mol 7 unq 0 iso 0 dist 8.80895 8.44333 3.52338 6.70503 5.51421 7.78327 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.00876 8.44333 6.15362 6.70503 9.58422 7.78327 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.58806 8.69224 10.1446 6.44262 13.3292 7.03372 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 6.53312 5.98169 10.6136 9.50079 16.0185 8.95154 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 7.19406 7.12713 9.83606 13.6849 18.7332 9.45756 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 7.66459 8.57479 3.48087 4.31214 9.72689 9.07128 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 6.31509 5.91023 4.48773 9.62604 5.9747 7.92856 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 6.14782 5.91023 3.8493 9.62604 4.50572 7.92856 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 8.49806 5.91023 3.78499 9.62604 9.27497 7.92856 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.08733 6.66313 3.80816 4.93421 7.91337 4.80684 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.08733 6.66313 3.80816 9.5414 6.40546 7.60162 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 4.90449 6.3646 3.80816 7.79347 7.91337 4.80684 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 4.90449 6.3646 3.80816 6.77381 6.40546 7.60162 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 9.35529 8.31527 8.9188 8.90504 11.2107 7.53694 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 9.35529 7.64841 3.71884 8.90504 11.2107 8.38358 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 9.75853 8.19926 8.26669 11.8143 13.9607 5.90765 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 9.60654 7.22151 3.90226 5.78711 9.13552 8.40074 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 7.11262 7.22151 6.59432 5.78711 10.0918 8.40074 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 7.6899 7.9475 6.64096 10.9904 13.9803 7.79063 numMergedOcc 0
19 mol 248 unq 1 iso 0 dist 7.6899 7.9475 6.64096 10.4923 14.4105 9.64778 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 9.477 9.03099 12.1357 18.0944 20.5374 9.29666 numMergedOcc 0
