0 mol 43 unq 0 iso 0 dist 9.61711 8.52017 6.12084 4.45291 9.81698 6.95457 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.47617 4.44406 6.09486 17.2393 9.74445 13.7462 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 8.07716 5.77889 8.57859 9.01453 9.35818 13.1162 numMergedOcc 0
3 mol 81 unq 1 iso 0 dist 8.07716 6.91587 11.453 9.01453 9.35818 13.4534 numMergedOcc 0
4 mol 81 unq 2 iso 0 dist 5.78829 8.22976 8.57859 6.45693 9.35818 13.1162 numMergedOcc 0
5 mol 81 unq 3 iso 0 dist 5.78829 8.9512 11.453 6.45693 9.35818 13.4534 numMergedOcc 0
6 mol 89 unq 0 iso 0 dist 5.25504 6.2836 4.30591 6.28243 6.36021 9.63477 numMergedOcc 0
7 mol 108 unq 0 iso 0 dist 5.45787 8.07863 6.98264 6.97518 7.29462 9.65113 numMergedOcc 0
8 mol 108 unq 1 iso 0 dist 5.45787 8.07863 6.98264 4.62224 5.4057 11.0891 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.0847 4.58432 5.97115 17.3026 9.10619 13.6133 numMergedOcc 0
10 mol 152 unq 1 iso 0 dist 6.00061 4.58432 4.36394 4.14546 9.74498 8.61946 numMergedOcc 0
11 mol 196 unq 0 iso 0 dist 7.23126 5.66536 3.98793 13.7733 6.76923 10.3719 numMergedOcc 0
12 mol 196 unq 1 iso 0 dist 7.82805 6.55775 3.98793 12.3428 6.76923 10.3719 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 9.14737 8.56661 14.465 15.3424 8.64255 19.4296 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 9.14737 6.20676 10.8461 15.3424 8.64255 16.9386 numMergedOcc 0
15 mol 197 unq 2 iso 0 dist 9.14737 7.36576 4.91336 15.3424 8.64255 12.3487 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 6.93717 7.39796 3.91796 8.26463 8.48112 5.05353 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 8.95261 8.13651 8.14464 13.3046 5.36776 13.3314 numMergedOcc 0
18 mol 257 unq 1 iso 0 dist 7.80336 7.70445 8.14464 11.62 5.36776 13.3314 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 5.29682 8.42773 4.51538 4.98212 6.77279 7.94491 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 6.20344 8.42773 9.08426 4.98212 9.58006 7.94491 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 7.45719 9.59851 6.09499 12.5955 9.59213 10.5102 numMergedOcc 0
