0 mol 10 unq 0 iso 0 dist 8.93461 3.69246 8.06428 11.9743 8.15866 9.17574 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.93461 3.69246 8.06428 11.6024 6.35199 8.79953 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 6.3896 5.09467 8.90155 10.0685 13.9821 8.26398 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.67455 3.30063 6.70325 8.99751 5.60332 9.82851 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.67455 3.30063 6.70325 9.44507 7.30207 9.11311 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 9.2772 6.79894 6.70325 9.30674 5.60332 9.82851 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 9.2772 6.79894 6.70325 9.93814 7.30207 9.11311 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.14072 14.5015 7.94814 21.2622 12.4972 8.74151 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 9.14072 16.2483 9.55632 21.2622 12.4972 8.69662 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.29249 6.21004 9.62106 10.5329 5.04277 9.22418 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.70808 3.7209 4.36944 12.6349 5.36591 9.57429 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 9.74082 9.91283 9.70231 10.0316 6.06934 5.51053 numMergedOcc 0
12 mol 157 unq 0 iso 0 dist 8.78412 6.11737 9.46735 13.2497 10.4695 9.36663 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 6.09291 4.24401 6.27378 7.79437 4.8154 9.84538 numMergedOcc 0
14 mol 169 unq 1 iso 0 dist 9.76796 9.223 6.27378 12.3623 4.8154 9.84538 numMergedOcc 0
15 mol 169 unq 2 iso 0 dist 9.90583 9.35916 6.27378 13.7364 4.8154 9.84538 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 5.81277 3.83801 9.21286 5.86419 5.00854 7.75318 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 5.05912 9.4797 9.21286 7.23557 5.00854 7.75318 numMergedOcc 0
18 mol 205 unq 2 iso 0 dist 6.60429 13.314 9.21286 8.86587 5.00854 7.75318 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 5.19913 12.1033 9.73038 16.9764 12.2677 8.91416 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.27336 8.73681 6.90511 15.0483 9.25159 7.08328 numMergedOcc 0
