0 mol 100 unq 0 iso 0 dist 8.52125 13.5152 6.60356 14.4494 6.1312 7.52622 numMergedOcc 0
1 mol 120 unq 0 iso 0 dist 9.12964 5.65554 9.18835 13.5507 13.298 8.03269 numMergedOcc 0
2 mol 120 unq 1 iso 0 dist 9.12964 5.65554 9.18835 11.4692 9.29137 6.55349 numMergedOcc 0
3 mol 148 unq 0 iso 0 dist 9.22427 14.778 9.71692 10.4682 7.81081 8.21863 numMergedOcc 0
4 mol 150 unq 0 iso 0 dist 9.32504 14.922 9.73708 10.5864 7.57411 8.16324 numMergedOcc 0
5 mol 162 unq 0 iso 0 dist 8.77869 15.3374 8.954 16.2679 10.8238 9.98649 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 9.12583 10.2313 9.94142 15.07 14.6184 7.39604 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 8.56656 12.3775 9.68829 18.4389 11.0404 9.93683 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 8.65696 9.42128 8.98362 16.6751 10.8062 9.1318 numMergedOcc 0
9 mol 245 unq 0 iso 0 dist 8.91609 6.62389 6.41862 14.0075 10.2813 9.99553 numMergedOcc 0
10 mol 245 unq 1 iso 0 dist 6.58637 5.43086 6.41862 10.1313 10.2813 9.99553 numMergedOcc 0
11 mol 245 unq 2 iso 0 dist 5.48167 5.43086 8.69377 10.1313 7.4192 9.99553 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 9.4886 12.1075 8.57305 14.6278 10.1386 5.75291 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 9.4886 12.1075 8.57305 17.5603 10.3067 7.17822 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 8.22353 8.39994 9.56472 8.06252 5.87866 9.05568 numMergedOcc 0
15 mol 265 unq 1 iso 0 dist 8.22353 5.62902 9.50814 8.06252 5.87866 7.29987 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 9.33447 7.61055 5.28417 14.9296 5.6764 9.80706 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 3.90274 5.01049 5.28417 9.40245 5.6764 9.80706 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 7.10723 9.13465 7.02503 10.468 8.27425 7.15389 numMergedOcc 0
19 mol 280 unq 1 iso 0 dist 8.01368 13.0497 9.05509 16.1776 8.87395 7.8766 numMergedOcc 0
20 mol 280 unq 2 iso 0 dist 8.01368 13.0497 9.05509 10.468 8.05876 7.70759 numMergedOcc 0
21 mol 280 unq 3 iso 0 dist 6.8664 7.59724 7.02503 13.2166 8.27425 7.15389 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 8.80555 9.35698 7.88405 17.7657 10.9468 9.83528 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 8.80418 6.27944 7.88405 11.7945 10.9468 9.83528 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 8.82869 11.9879 8.60441 15.5099 10.1933 8.19745 numMergedOcc 0
