0 mol 2 unq 0 iso 0 dist 9.79578 8.63198 6.53554 6.35824 5.74846 8.52972 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 7.5429 5.28939 8.98085 5.87938 8.59991 5.58571 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 8.38463 6.36154 9.60366 6.40052 7.73753 5.59559 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 6.57886 5.6505 7.11174 5.53904 5.2168 4.52409 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 6.57886 10.7222 6.98944 5.53904 5.2168 5.89527 numMergedOcc 0
5 mol 81 unq 2 iso 0 dist 5.62329 6.17229 7.22811 10.4562 8.36954 6.05544 numMergedOcc 0
6 mol 81 unq 3 iso 0 dist 5.62329 8.36931 6.32371 10.4562 8.36954 4.45069 numMergedOcc 0
7 mol 81 unq 4 iso 0 dist 5.77889 9.30857 7.22811 3.88746 7.15043 8.62666 numMergedOcc 0
8 mol 81 unq 5 iso 0 dist 5.77889 9.30857 7.22811 3.3881 5.70283 7.01382 numMergedOcc 0
9 mol 81 unq 6 iso 0 dist 8.22976 5.50121 7.22811 7.86537 7.15043 8.62666 numMergedOcc 0
10 mol 81 unq 7 iso 0 dist 8.22976 5.50121 7.22811 3.93741 5.70283 7.01382 numMergedOcc 0
11 mol 81 unq 8 iso 0 dist 6.91587 9.30857 6.32371 3.88746 5.86142 8.62666 numMergedOcc 0
12 mol 81 unq 9 iso 0 dist 6.91587 9.30857 6.32371 3.3881 7.16741 7.01382 numMergedOcc 0
13 mol 81 unq 10 iso 0 dist 8.9512 5.50121 6.32371 7.86537 5.86142 8.62666 numMergedOcc 0
14 mol 81 unq 11 iso 0 dist 8.9512 5.50121 6.32371 3.93741 7.16741 7.01382 numMergedOcc 0
15 mol 107 unq 0 iso 0 dist 9.55036 12.9908 9.35496 9.224 8.15179 4.53083 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 8.87587 4.68092 6.25569 6.69821 7.08834 3.25348 numMergedOcc 0
17 mol 252 unq 0 iso 0 dist 9.76717 9.52922 8.80157 3.91089 9.84342 6.23428 numMergedOcc 0
18 mol 252 unq 1 iso 0 dist 9.76717 9.52922 8.80157 15.3763 8.63893 13.3681 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 8.13651 10.5349 7.01576 7.65595 8.86142 5.43533 numMergedOcc 0
20 mol 257 unq 1 iso 0 dist 7.70445 7.38093 7.01576 3.41163 8.86142 5.43533 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 6.85252 6.16362 5.06635 4.0358 7.8647 7.13646 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 6.93453 8.21483 5.22629 9.67093 7.89625 7.00662 numMergedOcc 0
23 mol 282 unq 1 iso 0 dist 6.93453 11.5175 6.16433 9.67093 7.89625 8.72511 numMergedOcc 0
