0 mol 34 unq 0 iso 0 dist 9.29561 7.32472 7.65753 12.429 6.85305 12.0852 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 9.83301 7.73997 10.1829 7.92237 8.52254 10.8878 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.49678 9.29102 10.1404 5.50758 8.89758 14.0367 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 9.67476 9.88566 8.43533 13.4853 8.64208 14.1749 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 9.67476 9.88566 8.43533 6.50049 7.9572 12.4147 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.68303 6.82511 5.08181 10.2854 9.7754 13.4733 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.08674 8.26805 11.6853 9.08836 4.83274 10.985 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 8.08674 9.68577 15.0489 9.08836 4.83274 12.8435 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 8.33694 8.26805 4.94673 9.08836 7.89214 10.985 numMergedOcc 0
9 mol 76 unq 3 iso 0 dist 8.33694 9.68577 5.78236 9.08836 7.89214 12.8435 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 5.41154 7.86805 8.73538 6.61257 7.77558 11.4206 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 9.75856 9.57352 14.3183 11.3232 7.76275 19.4835 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 8.25015 8.18193 15.571 6.6622 8.19156 14.244 numMergedOcc 0
13 mol 114 unq 1 iso 0 dist 8.25015 8.18193 15.571 12.4364 9.54589 17.5036 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 9.6112 6.91039 7.33175 8.99682 5.30872 8.64905 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 7.88346 5.24882 5.08025 12.628 7.5984 8.99891 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 5.50553 8.86773 6.4179 7.08073 7.46199 12.3788 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 5.50553 8.95095 11.4354 7.08073 7.46199 15.5614 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.92271 7.34927 5.11865 6.29035 9.84188 9.54359 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 6.92271 7.34927 5.11865 4.83355 8.35794 5.69112 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 8.62666 7.54315 5.11865 15.7541 9.84188 9.54359 numMergedOcc 0
21 mol 277 unq 3 iso 0 dist 8.62666 7.54315 5.11865 11.2857 8.35794 5.69112 numMergedOcc 0
22 mol 281 unq 0 iso 0 dist 8.80931 7.82358 14.7035 11.2855 9.48968 18.3627 numMergedOcc 0
23 mol 281 unq 1 iso 0 dist 6.97131 6.22003 3.78163 10.7592 9.64422 10.8282 numMergedOcc 0
