0 mol 30 unq 0 iso 0 dist 7.85546 6.29175 7.21054 9.55457 7.48723 3.8895 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.16033 4.62339 9.46554 3.42062 9.42099 7.84827 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.54052 9.45804 5.7405 11.8083 5.27979 7.25076 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 9.3341 13.0348 9.95327 10.9631 6.76315 10.9175 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 9.3341 12.2639 7.50825 10.9631 6.76315 4.97794 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.29506 6.68872 5.76109 8.25205 5.56839 4.98735 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 7.24843 6.433 5.76109 3.27874 5.56839 4.98735 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 6.58492 6.68872 8.0955 8.25205 7.83506 4.98735 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 7.63783 6.433 8.0955 3.27874 7.83506 4.98735 numMergedOcc 0
9 mol 130 unq 0 iso 0 dist 8.19294 4.59384 5.05277 5.17954 8.00013 4.81304 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.93424 13.0903 7.35385 14.9967 8.40695 4.20944 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.93424 13.0903 7.35385 14.2035 9.35867 6.685 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 6.8891 13.0903 8.35864 14.2035 9.38036 6.685 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 6.77983 6.05626 9.82224 5.57164 9.9042 3.41036 numMergedOcc 0
14 mol 193 unq 1 iso 0 dist 7.06538 6.05626 8.95886 5.57164 6.21262 3.41036 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 9.42877 6.47651 9.47404 9.69543 6.14222 5.55109 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 9.3968 4.8685 8.58275 9.61033 8.91416 7.92443 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 9.3968 6.19365 8.78693 9.61033 8.91416 3.99194 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 6.7282 7.89655 4.68783 3.89698 8.76518 10.5184 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 8.83246 12.239 9.7659 9.80371 9.01437 11.9773 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 8.83246 7.11058 6.1268 9.80371 9.01437 4.45227 numMergedOcc 0
